| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.3 | Very low | 37.7 | Very low | 249 Ų | 249 | 155.3 Ų | 155.3 | 100% | 1.227 | 82% | 0.823 | S | S | * | * | 0 | 117.7 | 0 | -75.6 | 169.5 | 165.7 | 0 | 0 | 107.5 | |||||
| 2 | E | 31.1 | Very low | 37.5 | Very low | 193 Ų | 193 | 155.7 Ų | 155.7 | 90% | 0.902 | 82% | 0.822 | S | S | * | * | trans | -89.2 | 173.8 | 154.5 | -75.9 | -165.5 | 110.2 | 0 | 0 | 108.7 | ||||
| 3 | P | 47.5 | Very low | 37.1 | Very low | 97 Ų | 97 | 162.8 Ų | 162.8 | 63% | 0.63 | 83% | 0.831 | S | S | * | * | cis | -122.2 | -167.7 | 0.8 | 41.4 | -26.9 | 0 | 0 | 0 | 113 | ||||
| 4 | P | 45 | Very low | 36.8 | Very low | 131 Ų | 131 | 163.1 Ų | 163.1 | 85% | 0.851 | 84% | 0.835 | S | S | * | * | -131.3 | 166.3 | 116.6 | 38.2 | -32 | 0 | 0 | 0 | 114.3 | |||||
| 5 | L | 36.9 | Very low | 36.6 | Very low | 160 Ų | 160 | 157.5 Ų | 157.5 | 84% | 0.838 | 82% | 0.822 | S | S | * | * | trans | -106.7 | 149.7 | -170.3 | -79.7 | 166.3 | 0 | 0 | 0 | 114.9 | ||||
| 6 | S | 33.9 | Very low | 36.3 | Very low | 95 Ų | 95 | 156.3 Ų | 156.3 | 66% | 0.664 | 82% | 0.817 | S | S | * | * | trans | 67.5 | 102 | 141.1 | -172.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 7 | K | 37.1 | Very low | 36.2 | Very low | 194 Ų | 194 | 156.4 Ų | 156.4 | 84% | 0.843 | 82% | 0.817 | S | S | * | * | 41.9 | 120.4 | 124.7 | -56.6 | 172.4 | 179.4 | 176.2 | 0 | 119.5 | |||||
| 8 | R | 34.4 | Very low | 35.8 | Very low | 252 Ų | 252 | 152.3 Ų | 152.3 | 95% | 0.951 | 81% | 0.811 | S | S | * | * | trans | -154.3 | 128.5 | 134.4 | -109 | 167 | -169.1 | 179.3 | 3.2 | 111.9 | ||||
| 9 | N | 33.5 | Very low | 35.6 | Very low | 153 Ų | 153 | 148.9 Ų | 148.9 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -91.7 | 173.8 | 157.4 | -124 | -20 | 0 | 0 | 0 | 106.9 | ||||
| 10 | P | 47.9 | Very low | 35.4 | Very low | 111 Ų | 111 | 148.7 Ų | 148.7 | 72% | 0.721 | 81% | 0.81 | S | S | * | * | cis | -148.4 | 175.5 | 31.3 | 44.8 | -24.9 | 0 | 0 | 0 | 118.8 | ||||
| 11 | A | 32 | Very low | 35.5 | Very low | 73 Ų | 73 | 149.4 Ų | 149.4 | 60% | 0.603 | 81% | 0.808 | S | S | * | * | trans | 58.3 | 122.3 | 135.5 | 0 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 12 | I | 35 | Very low | 35.9 | Very low | 160 Ų | 160 | 143.6 Ų | 143.6 | 82% | 0.821 | 79% | 0.789 | S | S | * | * | 55 | 117.8 | 124 | -53.9 | 166.2 | 0 | 0 | 0 | 119.2 | |||||
| 13 | R | 33.2 | Very low | 36.1 | Very low | 248 Ų | 248 | 140.6 Ų | 140.6 | 94% | 0.936 | 78% | 0.778 | S | S | * | * | -145.9 | 159.9 | 126.1 | -83.1 | -143.5 | 165.5 | 171.1 | -3.2 | 112.2 | |||||
| 14 | L | 32.7 | Very low | 36.3 | Very low | 168 Ų | 168 | 141.5 Ų | 141.5 | 88% | 0.88 | 78% | 0.784 | S | S | * | * | trans | -136.2 | 177.8 | 178.8 | -116.7 | 167.6 | 0 | 0 | 0 | 107.5 | ||||
| 15 | A | 33.6 | Very low | 35.8 | Very low | 79 Ų | 79 | 142.2 Ų | 142.2 | 65% | 0.653 | 78% | 0.776 | S | S | * | * | trans | 73 | 148.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 16 | D | 31.3 | Very low | 35.8 | Very low | 138 Ų | 138 | 143 Ų | 143 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | cis | -158.1 | 169.6 | 4.6 | -117.7 | -18.3 | 0 | 0 | 0 | 113.4 | ||||
| 17 | L | 34.5 | Very low | 35.8 | Very low | 157 Ų | 157 | 143.5 Ų | 143.5 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | trans | 28.8 | 155.5 | 151.8 | -81.8 | 70 | 0 | 0 | 0 | 122.1 | ||||
| 18 | A | 30.2 | Very low | 35.7 | Very low | 84 Ų | 84 | 141.4 Ų | 141.4 | 69% | 0.694 | 77% | 0.765 | S | S | * | * | cis | -172.5 | 164.6 | -16.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 19 | A | 31.1 | Very low | 35.6 | Very low | 88 Ų | 88 | 136.1 Ų | 136.1 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | 40.6 | 123.3 | 149.1 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 20 | T | 32 | Very low | 35.4 | Very low | 143 Ų | 143 | 131.5 Ų | 131.5 | 88% | 0.877 | 75% | 0.75 | S | S | * | * | -173.6 | 151.5 | 104.6 | 22.4 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 21 | Q | 36.8 | Very low | 34.4 | Very low | 164 Ų | 164 | 136.3 Ų | 136.3 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | trans | -113.6 | 165.9 | 159.6 | -74.4 | -172.2 | -15.6 | 0 | 0 | 108.5 | ||||
| 22 | P | 43.5 | Very low | 35.1 | Very low | 127 Ų | 127 | 138.6 Ų | 138.6 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | -141.7 | 165.1 | 106.5 | 37.4 | -24.6 | 0 | 0 | 0 | 115.6 | |||||
| 23 | L | 36.9 | Very low | 34.8 | Very low | 131 Ų | 131 | 134.7 Ų | 134.7 | 69% | 0.686 | 77% | 0.767 | S | S | * | * | trans | -94.4 | 170.7 | 168.9 | -68.4 | 169.2 | 0 | 0 | 0 | 111.2 | ||||
| 24 | P | 50.8 | Low | 34.8 | Very low | 116 Ų | 116 | 131.9 Ų | 131.9 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | -127.7 | 148.5 | 97.4 | 37.1 | -30.1 | 0 | 0 | 0 | 112.7 | |||||
| 25 | H | 34.2 | Very low | 34.5 | Very low | 145 Ų | 145 | 127.7 Ų | 127.7 | 67% | 0.671 | 77% | 0.767 | S | S | * | * | 58.8 | 128.7 | 66.7 | -92.6 | -81.3 | 0 | 0 | 0 | 112.2 | |||||
| 26 | Q | 37.3 | Very low | 34.5 | Very low | 178 Ų | 178 | 130 Ų | 130 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | cis | -154.1 | 173.6 | 33.3 | -70.3 | -165.2 | 25.9 | 0 | 0 | 111.6 | ||||
| 27 | N | 33.9 | Very low | 34.4 | Very low | 105 Ų | 105 | 131.8 Ų | 131.8 | 56% | 0.561 | 78% | 0.776 | S | S | * | * | cis | -177.7 | 175.1 | -28.6 | -171.3 | 13.9 | 0 | 0 | 0 | 108.9 | ||||
| 28 | M | 33.9 | Very low | 34.3 | Very low | 150 Ų | 150 | 132 Ų | 132 | 74% | 0.739 | 77% | 0.773 | S | S | * | * | trans | 74.7 | 119.4 | 168.6 | -49.2 | -54.6 | -171.4 | 0 | 0 | 116.1 | ||||
| 29 | T | 33.9 | Very low | 34.8 | Very low | 141 Ų | 141 | 134 Ų | 134 | 87% | 0.865 | 78% | 0.779 | S | S | * | * | cis | -137.6 | -164.4 | 2 | 66.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 30 | G | 28 | Very low | 34.8 | Very low | 56 Ų | 56 | 138.5 Ų | 138.5 | 58% | 0.577 | 79% | 0.785 | S | S | * | * | cis | -178.8 | -179.4 | 10.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 31 | F | 27.3 | Very low | 34.7 | Very low | 211 Ų | 211 | 136.6 Ų | 136.6 | 93% | 0.925 | 78% | 0.777 | S | S | * | * | trans | -163 | 174.1 | -168.7 | -93.8 | -69.3 | 0 | 0 | 0 | 111 | ||||
| 32 | P | 47.5 | Very low | 34.5 | Very low | 122 Ų | 122 | 137.5 Ų | 137.5 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | cis | -130.8 | 175.5 | -19.2 | 35.2 | -17.7 | 0 | 0 | 0 | 114.3 | ||||
| 33 | G | 28.4 | Very low | 34 | Very low | 77 Ų | 77 | 138.7 Ų | 138.7 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | trans | -170.3 | 130.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 34 | L | 33.2 | Very low | 33.6 | Very low | 190 Ų | 190 | 137.1 Ų | 137.1 | 100% | 0.995 | 78% | 0.781 | S | S | * | * | trans | -99.9 | 148.2 | -177.5 | -69.6 | 165.1 | 0 | 0 | 0 | 111.7 | ||||
| 35 | G | 26.3 | Very low | 32.7 | Very low | 79 Ų | 79 | 138.6 Ų | 138.6 | 81% | 0.814 | 78% | 0.778 | S | S | * | * | trans | 176.5 | 101.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 36 | V | 32.8 | Very low | 32.3 | Very low | 127 Ų | 127 | 140.9 Ų | 140.9 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | trans | -92.9 | 145.6 | 161.7 | 172.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 37 | H | 29.5 | Very low | 32.2 | Very low | 176 Ų | 176 | 140.2 Ų | 140.2 | 82% | 0.815 | 79% | 0.785 | S | S | * | * | trans | 174.1 | 170.6 | 134.7 | -96.5 | -69.6 | 0 | 0 | 0 | 113.3 | ||||
| 38 | H | 33.2 | Very low | 32.6 | Very low | 162 Ų | 162 | 141.4 Ų | 141.4 | 75% | 0.75 | 80% | 0.798 | S | S | * | * | trans | -84.9 | 164.3 | -175.4 | -61 | 32.4 | 0 | 0 | 0 | 112.8 | ||||
| 39 | P | 41.1 | Very low | 32.3 | Very low | 127 Ų | 127 | 137.8 Ų | 137.8 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -97.6 | 136 | 145.4 | 34.3 | -26.9 | 0 | 0 | 0 | 111.6 | ||||
| 40 | H | 30.7 | Very low | 32.3 | Very low | 182 Ų | 182 | 140.1 Ų | 140.1 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | trans | -109.2 | 154.9 | 172 | -135.1 | -95.4 | 0 | 0 | 0 | 110 | ||||
| 41 | S | 29.2 | Very low | 32.6 | Very low | 103 Ų | 103 | 146.7 Ų | 146.7 | 72% | 0.72 | 82% | 0.818 | S | S | * | * | trans | -72.9 | 144.7 | -179.6 | -57.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 42 | H | 32.8 | Very low | 32.7 | Very low | 183 Ų | 183 | 140 Ų | 140 | 85% | 0.847 | 81% | 0.809 | S | S | * | * | trans | -151.7 | 163.8 | 138.4 | -89.2 | -83.4 | 0 | 0 | 0 | 109.9 | ||||
| 43 | H | 33.3 | Very low | 31.8 | Very low | 151 Ų | 151 | 142.2 Ų | 142.2 | 70% | 0.699 | 81% | 0.814 | S | S | * | * | 177.3 | 116.4 | -51.1 | -175.6 | -20.1 | 0 | 0 | 0 | 106.8 | H45 | H43-H45 AromaticContact CE1-CD2 3.93Š| |||
| 44 | A | 27.9 | Very low | 31.8 | Very low | 99 Ų | 99 | 145.9 Ų | 145.9 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -162 | 140.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 45 | H | 32.4 | Very low | 32.6 | Very low | 147 Ų | 147 | 142.7 Ų | 142.7 | 68% | 0.681 | 81% | 0.806 | S | S | * | * | trans | -116.2 | 151.5 | 171.6 | -80.6 | -101.6 | 0 | 0 | 0 | 109.5 | H43 | H43-H45 AromaticContact CE1-CD2 3.93Š| ||
| 46 | H | 26.9 | Very low | 32.7 | Very low | 193 Ų | 193 | 142 Ų | 142 | 89% | 0.894 | 80% | 0.799 | S | S | * | * | trans | -149.6 | 136.5 | 144 | -103.3 | -78.3 | 0 | 0 | 0 | 111.1 | ||||
| 47 | H | 33.5 | Very low | 32.5 | Very low | 163 Ų | 163 | 142.8 Ų | 142.8 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | -100.3 | 161.2 | 161 | -78.8 | -79.3 | 0 | 0 | 0 | 108.5 | ||||
| 48 | P | 42.2 | Very low | 32.4 | Very low | 131 Ų | 131 | 138.4 Ų | 138.4 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | -141.3 | -166.4 | 97.7 | 38.2 | -22.8 | 0 | 0 | 0 | 113.8 | |||||
| 49 | G | 29.1 | Very low | 32.3 | Very low | 73 Ų | 73 | 138.7 Ų | 138.7 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | trans | -122.4 | -149.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 50 | E | 32.7 | Very low | 32 | Very low | 190 Ų | 190 | 138.8 Ų | 138.8 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | trans | -77.3 | 144.5 | -163.8 | -58.2 | 166.4 | 107.1 | 0 | 0 | 115.7 | ||||
| 51 | M | 35.6 | Very low | 32.8 | Very low | 195 Ų | 195 | 134.4 Ų | 134.4 | 96% | 0.961 | 79% | 0.79 | S | S | * | * | 143.8 | 143.2 | 119.9 | 77.2 | -172.8 | 170.7 | 0 | 0 | 115.3 | |||||
| 52 | G | 28 | Very low | 32.8 | Very low | 71 Ų | 71 | 138.9 Ų | 138.9 | 73% | 0.732 | 80% | 0.797 | S | S | * | * | trans | 120.1 | 103.1 | 154.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 53 | N | 28.4 | Very low | 32.7 | Very low | 167 Ų | 167 | 133 Ų | 133 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | trans | 37.2 | 132.1 | 142.3 | -56.7 | -6.7 | 0 | 0 | 0 | 124.3 | ||||
| 54 | D | 29.3 | Very low | 33.6 | Very low | 155 Ų | 155 | 131.8 Ų | 131.8 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | trans | -57.9 | 172.8 | 149.9 | -92.6 | -71.1 | 0 | 0 | 0 | 114 | ||||
| 55 | P | 49.3 | Very low | 33.6 | Very low | 123 Ų | 123 | 136.2 Ų | 136.2 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | cis | -135.2 | 176.3 | 10.7 | 41.7 | -25.6 | 0 | 0 | 0 | 116.9 | ||||
| 56 | G | 28.3 | Very low | 33.7 | Very low | 63 Ų | 63 | 137.5 Ų | 137.5 | 65% | 0.649 | 80% | 0.801 | S | S | * | * | trans | 141.7 | 111.1 | 135.2 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 57 | V | 29.8 | Very low | 34 | Very low | 144 Ų | 144 | 136.5 Ų | 136.5 | 87% | 0.873 | 80% | 0.799 | S | S | * | * | trans | 67.3 | 108.9 | 136.2 | -173.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 58 | A | 27.8 | Very low | 33.9 | Very low | 85 Ų | 85 | 132.3 Ų | 132.3 | 70% | 0.702 | 79% | 0.793 | S | S | * | * | trans | 58.2 | 148.9 | 140.4 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 59 | L | 30.9 | Very low | 33.5 | Very low | 167 Ų | 167 | 134.9 Ų | 134.9 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | cis | -142.1 | 170.2 | 38.2 | -79.7 | 160.6 | 0 | 0 | 0 | 114.4 | ||||
| 60 | T | 33.3 | Very low | 33.7 | Very low | 129 Ų | 129 | 136.7 Ų | 136.7 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | -108.1 | -169.1 | 173.8 | 61.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 61 | P | 48.7 | Very low | 33.6 | Very low | 91 Ų | 91 | 135.1 Ų | 135.1 | 59% | 0.591 | 79% | 0.788 | S | S | * | * | cis | -128.1 | -170.2 | -10.4 | 41.4 | -24.3 | 0 | 0 | 0 | 113 | ||||
| 62 | F | 29.6 | Very low | 33.4 | Very low | 196 Ų | 196 | 130.1 Ų | 130.1 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | 167.7 | 125.9 | 121.6 | -92.6 | -65.7 | 0 | 0 | 0 | 113.6 | |||||
| 63 | G | 29.5 | Very low | 33.4 | Very low | 61 Ų | 61 | 134.6 Ų | 134.6 | 63% | 0.629 | 78% | 0.784 | S | S | * | * | trans | -134.9 | -165.7 | 141.2 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 64 | P | 51.9 | Low | 33.5 | Very low | 124 Ų | 124 | 135 Ų | 135 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | cis | -121.4 | -166.6 | 1.3 | 42.8 | -28.9 | 0 | 0 | 0 | 111.9 | ||||
| 65 | E | 29.2 | Very low | 33.3 | Very low | 192 Ų | 192 | 135.1 Ų | 135.1 | 90% | 0.897 | 78% | 0.778 | S | S | * | * | -169.8 | 176.6 | 125.1 | -108.6 | 176 | -165.2 | 0 | 0 | 112.5 | |||||
| 66 | H | 33.4 | Very low | 32.3 | Very low | 174 Ų | 174 | 134.7 Ų | 134.7 | 81% | 0.806 | 78% | 0.777 | S | S | * | * | trans | -154 | 176.4 | -160.6 | -166.4 | -100.4 | 0 | 0 | 0 | 112.5 | ||||
| 67 | M | 34.4 | Very low | 33.1 | Very low | 172 Ų | 172 | 137 Ų | 137 | 85% | 0.847 | 78% | 0.781 | S | S | * | * | trans | 78.2 | 160.2 | 176.8 | -60.7 | -170.6 | 168.2 | 0 | 0 | 117.7 | ||||
| 68 | A | 31.2 | Very low | 33 | Very low | 76 Ų | 76 | 135.1 Ų | 135.1 | 63% | 0.628 | 77% | 0.774 | S | S | * | * | cis | -174.3 | 139.5 | -36.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 69 | Q | 32.6 | Very low | 33.1 | Very low | 185 Ų | 185 | 140.3 Ų | 140.3 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | trans | 176.4 | 142.9 | 159.3 | -102.4 | 151.2 | 85.2 | 0 | 0 | 109.7 | ||||
| 70 | T | 33 | Very low | 33 | Very low | 110 Ų | 110 | 139.2 Ų | 139.2 | 68% | 0.675 | 77% | 0.774 | S | S | * | * | cis | -162.3 | 158.1 | -19.8 | 3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 71 | N | 32.3 | Very low | 33 | Very low | 158 Ų | 158 | 140.5 Ų | 140.5 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | trans | 71.3 | 161.3 | 159.2 | -59.7 | -14.2 | 0 | 0 | 0 | 118.8 | ||||
| 72 | A | 30.3 | Very low | 32.3 | Very low | 89 Ų | 89 | 141.9 Ų | 141.9 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | trans | -157.9 | -168.8 | -161.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 73 | L | 29 | Very low | 32.4 | Very low | 165 Ų | 165 | 138.2 Ų | 138.2 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | trans | 76.8 | 162.9 | 179.2 | -50.9 | 172.9 | 0 | 0 | 0 | 115.5 | ||||
| 74 | K | 29.7 | Very low | 32.7 | Very low | 175 Ų | 175 | 142.3 Ų | 142.3 | 76% | 0.761 | 77% | 0.774 | S | S | * | * | -170.9 | 137.7 | -55.9 | -136.6 | -174 | 178.7 | 179.4 | 0 | 107.1 | |||||
| 75 | L | 26 | Very low | 31.8 | Very low | 159 Ų | 159 | 145.7 Ų | 145.7 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | 71.4 | 153.8 | 164.3 | -56.4 | 167.4 | 0 | 0 | 0 | 118.5 | ||||
| 76 | S | 27.2 | Very low | 32.1 | Very low | 114 Ų | 114 | 142.9 Ų | 142.9 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | trans | -94.6 | -166.3 | -177 | -36.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 77 | P | 44.7 | Very low | 32 | Very low | 111 Ų | 111 | 139.6 Ų | 139.6 | 72% | 0.721 | 77% | 0.769 | S | S | * | * | cis | -144.1 | -171.7 | 2.6 | 41.4 | -20.1 | 0 | 0 | 0 | 117.8 | ||||
| 78 | S | 27.7 | Very low | 32.1 | Very low | 105 Ų | 105 | 139.1 Ų | 139.1 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | trans | 89.3 | 155.9 | 144.1 | -64.1 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 79 | Q | 30.9 | Very low | 32.2 | Very low | 194 Ų | 194 | 142 Ų | 142 | 91% | 0.907 | 78% | 0.775 | S | S | * | * | trans | 74.1 | 152.9 | 168.2 | -60.9 | -170.1 | 4.2 | 0 | 0 | 117.6 | ||||
| 80 | H | 29 | Very low | 32.1 | Very low | 144 Ų | 144 | 137.8 Ų | 137.8 | 67% | 0.667 | 77% | 0.771 | S | S | * | * | cis | -165.1 | -167.7 | -29.4 | -171.5 | -114 | 0 | 0 | 0 | 107.9 | Q82 | H80-Q82 PolarHBondContact CE1-OE1 3.19Š| ||
| 81 | I | 32.1 | Very low | 32 | Very low | 156 Ų | 156 | 136.6 Ų | 136.6 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | trans | 78.8 | 111.6 | 178.6 | -48.7 | 167.3 | 0 | 0 | 0 | 112.7 | ||||
| 82 | Q | 34.2 | Very low | 32.1 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 56% | 0.556 | 77% | 0.771 | S | S | * | * | cis | 99.5 | 109.8 | 13 | -162.9 | -176.2 | 2.4 | 0 | 0 | 116.3 | H80 H84 | H80-Q82 PolarHBondContact CE1-OE1 3.19Å; Q82-H84 PolarHBondContact NE2-NE2 2.66Å | ||
| 83 | S | 31.4 | Very low | 32.1 | Very low | 119 Ų | 119 | 135.7 Ų | 135.7 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | trans | -154.8 | 134.2 | 150.1 | 58.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 84 | H | 35.7 | Very low | 32.1 | Very low | 148 Ų | 148 | 132.4 Ų | 132.4 | 69% | 0.685 | 77% | 0.77 | S | S | * | * | trans | -94.7 | 162.2 | -172.4 | -75.2 | -132.1 | 0 | 0 | 0 | 112.7 | Q82 | Q82-H84 PolarHBondContact NE2-NE2 2.66Š| ||
| 85 | H | 34.5 | Very low | 32.1 | Very low | 195 Ų | 195 | 129.2 Ų | 129.2 | 90% | 0.903 | 77% | 0.77 | S | S | * | * | -149.6 | 143.5 | 124.3 | -124.8 | -79.6 | 0 | 0 | 0 | 111 | |||||
| 86 | E | 34 | Very low | 32.3 | Very low | 133 Ų | 133 | 130.6 Ų | 130.6 | 62% | 0.621 | 77% | 0.769 | S | S | * | * | trans | -114.1 | 152.9 | -171.8 | -58 | 179.5 | 110.1 | 0 | 0 | 112.8 | ||||
| 87 | A | 33 | Very low | 32.4 | Very low | 105 Ų | 105 | 131 Ų | 131 | 87% | 0.868 | 77% | 0.768 | S | S | * | * | trans | -155.9 | 139 | 149.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 88 | Q | 36 | Very low | 32 | Very low | 161 Ų | 161 | 131.1 Ų | 131.1 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | trans | -122.5 | 141.8 | -172.6 | -59.1 | 177.2 | 6.6 | 0 | 0 | 112.6 | ||||
| 89 | T | 33.9 | Very low | 32.2 | Very low | 138 Ų | 138 | 130 Ų | 130 | 85% | 0.847 | 77% | 0.768 | S | S | * | * | trans | -178.7 | 124.8 | 138.5 | 24.1 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 90 | A | 30.6 | Very low | 32.3 | Very low | 95 Ų | 95 | 129.4 Ų | 129.4 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | 67.7 | 124.6 | 65.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 91 | A | 30.7 | Very low | 32.4 | Very low | 86 Ų | 86 | 128 Ų | 128 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | cis | -161.8 | -178.2 | -2.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 92 | T | 32.8 | Very low | 32.4 | Very low | 132 Ų | 132 | 126.3 Ų | 126.3 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | trans | 59 | 116.2 | 163.2 | 46.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 93 | A | 30.1 | Very low | 32.2 | Very low | 96 Ų | 96 | 127.2 Ų | 127.2 | 79% | 0.793 | 78% | 0.777 | S | S | * | * | 56.8 | 133.8 | 74.6 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 94 | A | 29.5 | Very low | 32.1 | Very low | 96 Ų | 96 | 124.6 Ų | 124.6 | 79% | 0.793 | 77% | 0.77 | S | S | * | * | cis | -178.4 | 163.3 | -9.9 | 0 | 0 | 0 | 0 | 0 | 105 | ||||
| 95 | S | 30.7 | Very low | 31.9 | Very low | 107 Ų | 107 | 126.9 Ų | 126.9 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | -35.4 | 154.9 | 178.1 | -44.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 96 | F | 29.1 | Very low | 33 | Very low | 188 Ų | 188 | 122.8 Ų | 122.8 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | -172.5 | 147.1 | 113.7 | -118 | -107.2 | 0 | 0 | 0 | 115.2 | |||||
| 97 | T | 30.6 | Very low | 32.8 | Very low | 124 Ų | 124 | 123.1 Ų | 123.1 | 76% | 0.761 | 78% | 0.779 | S | S | * | * | trans | 40.5 | 140.4 | 154.6 | 43.8 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 98 | S | 34.9 | Very low | 32.9 | Very low | 112 Ų | 112 | 122 Ų | 122 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | trans | -87.7 | 155.4 | 161.7 | 54.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 99 | A | 32.9 | Very low | 33.6 | Very low | 83 Ų | 83 | 120.4 Ų | 120.4 | 69% | 0.686 | 77% | 0.773 | S | S | * | * | 163 | 131.6 | 120.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 100 | Q | 33.4 | Very low | 33.7 | Very low | 180 Ų | 180 | 122.2 Ų | 122.2 | 84% | 0.841 | 77% | 0.772 | S | S | * | * | trans | 64.3 | 164.8 | 152.2 | -57 | 173.1 | 15 | 0 | 0 | 116.9 | ||||
| 101 | T | 30 | Very low | 34.9 | Very low | 114 Ų | 114 | 122.7 Ų | 122.7 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | cis | -152.8 | 158.8 | 11 | -25.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 102 | T | 32.1 | Very low | 35.1 | Very low | 121 Ų | 121 | 127.2 Ų | 127.2 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | trans | 10.3 | 141.2 | 155.8 | 52.6 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 103 | V | 30.3 | Very low | 35.1 | Very low | 138 Ų | 138 | 126.7 Ų | 126.7 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | -160.3 | -178.3 | 56.5 | -73.3 | 0 | 0 | 0 | 0 | 111 | |||||
| 104 | G | 30.1 | Very low | 35.1 | Very low | 65 Ų | 65 | 125 Ų | 125 | 67% | 0.67 | 77% | 0.767 | S | S | * | * | cis | 153.8 | 172.1 | -8.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 105 | F | 30.1 | Very low | 35.1 | Very low | 196 Ų | 196 | 131.4 Ų | 131.4 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | trans | 75 | 156.8 | 167.5 | -66.5 | -63.1 | 0 | 0 | 0 | 120 | ||||
| 106 | P | 57.3 | Low | 35.3 | Very low | 108 Ų | 108 | 131 Ų | 131 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | -143.6 | -173.8 | -71.5 | 34.6 | -11.6 | 0 | 0 | 0 | 118.5 | |||||
| 107 | V | 30.8 | Very low | 35.4 | Very low | 140 Ų | 140 | 126.9 Ų | 126.9 | 85% | 0.848 | 76% | 0.764 | S | S | * | * | trans | 103.6 | 141.8 | 155.9 | -168.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 108 | A | 34.1 | Very low | 35.6 | Very low | 82 Ų | 82 | 126.3 Ų | 126.3 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | trans | -137.3 | -176 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 109 | P | 52 | Low | 35.5 | Very low | 127 Ų | 127 | 130.6 Ų | 130.6 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | -151.6 | -165.8 | 63.3 | 40.9 | -17.4 | 0 | 0 | 0 | 117.3 | |||||
| 110 | H | 36.5 | Very low | 35.5 | Very low | 177 Ų | 177 | 134.4 Ų | 134.4 | 82% | 0.819 | 77% | 0.773 | S | S | * | * | trans | -92.1 | -171.4 | -178.8 | -66.5 | -65.6 | 0 | 0 | 0 | 113.1 | ||||
| 111 | P | 55.1 | Low | 35.2 | Very low | 105 Ų | 105 | 134.6 Ų | 134.6 | 68% | 0.682 | 77% | 0.768 | S | S | * | * | cis | -154.8 | -179.3 | 15.9 | 47.9 | -26.3 | 0 | 0 | 0 | 122.6 | ||||
| 112 | H | 34.1 | Very low | 35.4 | Very low | 180 Ų | 180 | 137 Ų | 137 | 83% | 0.833 | 77% | 0.774 | S | S | * | * | trans | 78.2 | 130.1 | 146.2 | -71.4 | -51.3 | 0 | 0 | 0 | 126.7 | ||||
| 113 | S | 34.3 | Very low | 35.4 | Very low | 121 Ų | 121 | 139.2 Ų | 139.2 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | trans | 72.9 | 142.3 | 145.2 | -153.3 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 114 | G | 28.4 | Very low | 35.4 | Very low | 62 Ų | 62 | 142.4 Ų | 142.4 | 64% | 0.639 | 78% | 0.778 | S | S | * | * | cis | 169.2 | 173.9 | -7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 115 | Y | 31.2 | Very low | 35.4 | Very low | 229 Ų | 229 | 151.2 Ų | 151.2 | 90% | 0.898 | 79% | 0.791 | S | S | * | * | trans | 73.2 | 156 | 170.7 | -87.4 | -109.8 | 0 | 0 | 0 | 121.4 | ||||
| 116 | S | 33.8 | Very low | 35.4 | Very low | 98 Ų | 98 | 148 Ų | 148 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | -166.7 | -177.3 | -51.8 | 79.9 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 117 | S | 30.8 | Very low | 34.1 | Very low | 102 Ų | 102 | 150.5 Ų | 150.5 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | trans | 95.7 | 100.5 | 169.9 | -165.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 118 | S | 35.5 | Very low | 34.1 | Very low | 112 Ų | 112 | 149.8 Ų | 149.8 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | 85 | 144.2 | 59.4 | -64 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 119 | R | 32.4 | Very low | 33.8 | Very low | 203 Ų | 203 | 150.7 Ų | 150.7 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | cis | -158.5 | 138.7 | 30.4 | -163 | 178 | -169.4 | 140 | 2.7 | 113.8 | Y121 | R119-Y121 HydrophobicContact CG-CD2 3.95Å; R119-Y121 HydrophobicContact CG-CE2 4.19Å | ||
| 120 | D | 32.7 | Very low | 32.8 | Very low | 162 Ų | 162 | 150.4 Ų | 150.4 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | trans | -115.1 | 155 | 163.5 | -101.3 | -47.1 | 0 | 0 | 0 | 110 | ||||
| 121 | Y | 27.3 | Very low | 32.4 | Very low | 185 Ų | 185 | 146.3 Ų | 146.3 | 73% | 0.725 | 79% | 0.792 | S | S | * | * | trans | -155 | 127.4 | 168.2 | -102.6 | -81.7 | 0 | 0 | 0 | 114 | R119 | R119-Y121 HydrophobicContact CG-CD2 3.95Å; R119-Y121 HydrophobicContact CG-CE2 4.19Å | ||
| 122 | I | 35 | Very low | 31.3 | Very low | 164 Ų | 164 | 148.4 Ų | 148.4 | 84% | 0.841 | 79% | 0.794 | S | S | * | * | trans | -134.1 | 131.8 | 158.4 | -68.6 | 178.4 | 0 | 0 | 0 | 107.5 | ||||
| 123 | L | 31.2 | Very low | 31.2 | Very low | 168 Ų | 168 | 147.9 Ų | 147.9 | 88% | 0.88 | 79% | 0.791 | S | S | * | * | trans | -168.8 | 162.6 | 147 | -110.6 | 175 | 0 | 0 | 0 | 112 | ||||
| 124 | R | 31.5 | Very low | 31 | Very low | 205 Ų | 205 | 145.4 Ų | 145.4 | 77% | 0.774 | 78% | 0.779 | S | S | * | * | trans | -77.1 | 159.7 | -178.7 | -61.6 | -178.6 | 176.8 | -147.7 | 3.7 | 113.4 | E126 | R124-E126 IonicContact NH1-OE1 3.32Å; R124-E126 PolarHBondContact NH1-OE1 2.81Å; R124-E126 VanDerWaalsContact NH1-OE1 3.12Å | ||
| 125 | R | 29.9 | Very low | 31.1 | Very low | 250 Ų | 250 | 151.2 Ų | 151.2 | 94% | 0.943 | 79% | 0.794 | S | S | * | * | trans | -148.4 | 159.7 | 140.6 | -136.7 | 177.6 | -170.7 | -168 | 1.6 | 110.7 | ||||
| 126 | E | 30.2 | Very low | 30.9 | Very low | 129 Ų | 129 | 143.7 Ų | 143.7 | 60% | 0.603 | 79% | 0.786 | S | S | * | * | trans | -126.7 | 158.7 | -169.5 | -59.4 | -163 | 177.6 | 0 | 0 | 113.8 | R124 | R124-E126 IonicContact NH1-OE1 3.32Å; R124-E126 PolarHBondContact NH1-OE1 2.81Å; R124-E126 VanDerWaalsContact NH1-OE1 3.12Å | ||
| 127 | L | 30.2 | Very low | 30.7 | Very low | 160 Ų | 160 | 145.5 Ų | 145.5 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | trans | 50.8 | 116.9 | 148.6 | -70.5 | 167.9 | 0 | 0 | 0 | 122.2 | ||||
| 128 | S | 30.5 | Very low | 30.8 | Very low | 124 Ų | 124 | 147.6 Ų | 147.6 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | trans | -172 | 154.7 | 134.9 | 55.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 129 | A | 28.3 | Very low | 30.5 | Very low | 101 Ų | 101 | 149.7 Ų | 149.7 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | cis | -156.5 | 171.1 | -24.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 130 | S | 29.3 | Very low | 30.3 | Very low | 122 Ų | 122 | 144.6 Ų | 144.6 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | trans | -92.5 | 162.7 | -163.5 | -43.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 131 | A | 29.3 | Very low | 30.1 | Very low | 91 Ų | 91 | 142.5 Ų | 142.5 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | trans | -132.6 | 117.7 | 148.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 132 | M | 32.3 | Very low | 30 | Very low | 149 Ų | 149 | 138.4 Ų | 138.4 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | 69.3 | 119.6 | 70.9 | -63 | -77.5 | -90.5 | 0 | 0 | 110.8 | |||||
| 133 | H | 30.3 | Very low | 29.6 | Very low | 168 Ų | 168 | 136.1 Ų | 136.1 | 78% | 0.778 | 78% | 0.78 | S | S | * | * | cis | -147 | -176.5 | 14.6 | -84.6 | -92.8 | 0 | 0 | 0 | 109.7 | ||||
| 134 | A | 30.6 | Very low | 29.6 | Very low | 70 Ų | 70 | 133.1 Ų | 133.1 | 58% | 0.579 | 77% | 0.773 | S | S | * | * | cis | -179.2 | 154.8 | -42.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 135 | L | 30.5 | Very low | 30.4 | Very low | 183 Ų | 183 | 128.2 Ų | 128.2 | 96% | 0.958 | 77% | 0.768 | S | S | * | * | trans | 68.2 | 155.4 | 173.6 | -44.4 | -179.7 | 0 | 0 | 0 | 115.6 | ||||
| 136 | G | 27.8 | Very low | 30.4 | Very low | 71 Ų | 71 | 123.2 Ų | 123.2 | 73% | 0.732 | 76% | 0.755 | S | S | * | * | cis | -162.8 | -167.8 | 2.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 137 | D | 29.8 | Very low | 30.5 | Very low | 136 Ų | 136 | 125.1 Ų | 125.1 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | -84.3 | 144.6 | -158.7 | -81 | -87.2 | 0 | 0 | 0 | 119.6 | ||||
| 138 | Q | 31.8 | Very low | 30.6 | Very low | 147 Ų | 147 | 125.2 Ų | 125.2 | 69% | 0.687 | 76% | 0.759 | S | S | * | * | trans | 64.9 | 160.2 | 133.4 | -63.7 | 173.1 | 53.3 | 0 | 0 | 123.7 | ||||
| 139 | H | 29.9 | Very low | 30.4 | Very low | 155 Ų | 155 | 122.8 Ų | 122.8 | 72% | 0.718 | 75% | 0.754 | S | S | * | * | trans | 73.7 | 105.4 | 156.9 | -78.3 | -60.8 | 0 | 0 | 0 | 123 | ||||
| 140 | S | 28.8 | Very low | 30.8 | Very low | 97 Ų | 97 | 126.3 Ų | 126.3 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | 49.3 | 123.6 | 120.2 | -54.5 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 141 | S | 27.6 | Very low | 30.8 | Very low | 118 Ų | 118 | 129.6 Ų | 129.6 | 83% | 0.825 | 76% | 0.755 | S | S | * | * | trans | 82.8 | 152 | 136.3 | 77.3 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 142 | A | 25.5 | Very low | 30.8 | Very low | 99 Ų | 99 | 132.3 Ų | 132.3 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | 65.4 | 149.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 143 | S | 26.6 | Very low | 30.9 | Very low | 116 Ų | 116 | 129.3 Ų | 129.3 | 81% | 0.811 | 75% | 0.754 | S | S | * | * | cis | -149.8 | 166.3 | -4.5 | 36.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 144 | S | 30.4 | Very low | 32.3 | Very low | 104 Ų | 104 | 126.7 Ų | 126.7 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | -82.4 | 167 | 169.8 | -176.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 145 | P | 48.2 | Very low | 32.3 | Very low | 103 Ų | 103 | 130.6 Ų | 130.6 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | -141.3 | 143.2 | 112.3 | 25.6 | -7.1 | 0 | 0 | 0 | 116.2 | |||||
| 146 | H | 31.7 | Very low | 32.2 | Very low | 144 Ų | 144 | 125.1 Ų | 125.1 | 67% | 0.667 | 76% | 0.756 | S | S | * | * | trans | 40.2 | 145 | 141.5 | -49.6 | -67 | 0 | 0 | 0 | 121.3 | ||||
| 147 | H | 31.8 | Very low | 32.3 | Very low | 170 Ų | 170 | 126.2 Ų | 126.2 | 79% | 0.787 | 76% | 0.758 | S | S | * | * | cis | -139.4 | 146.9 | 31.7 | -93.8 | -96.6 | 0 | 0 | 0 | 115.9 | ||||
| 148 | H | 31.1 | Very low | 32.3 | Very low | 161 Ų | 161 | 131.7 Ų | 131.7 | 75% | 0.745 | 77% | 0.77 | S | S | * | * | trans | 6.8 | 143.7 | 141 | -61.6 | -101.6 | 0 | 0 | 0 | 120.6 | ||||
| 149 | G | 27.6 | Very low | 32.1 | Very low | 73 Ų | 73 | 127.9 Ų | 127.9 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | cis | 176.1 | 179.8 | 1.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 150 | M | 36 | Very low | 32.1 | Very low | 175 Ų | 175 | 129.5 Ų | 129.5 | 86% | 0.862 | 78% | 0.778 | S | S | * | * | trans | -125.3 | 139.4 | -174.3 | -76.8 | -92.9 | -68.3 | 0 | 0 | 111.5 | ||||
| 151 | F | 28.5 | Very low | 32.1 | Very low | 192 Ų | 192 | 129 Ų | 129 | 84% | 0.842 | 78% | 0.78 | S | S | * | * | trans | -149.1 | 109.5 | 155.7 | -98.2 | -93.4 | 0 | 0 | 0 | 106.7 | ||||
| 152 | I | 30.1 | Very low | 32.3 | Very low | 148 Ų | 148 | 131.3 Ų | 131.3 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | 83.3 | 134.7 | 90 | -76.4 | 179.8 | 0 | 0 | 0 | 113.8 | |||||
| 153 | A | 34.3 | Very low | 32.6 | Very low | 85 Ų | 85 | 132.5 Ų | 132.5 | 70% | 0.702 | 78% | 0.775 | S | S | * | * | trans | -98.7 | -155.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 154 | P | 59.5 | Low | 32.6 | Very low | 114 Ų | 114 | 130.1 Ų | 130.1 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | cis | -132.5 | 179.3 | -16.2 | 41.9 | -25.4 | 0 | 0 | 0 | 114.2 | ||||
| 155 | T | 32 | Very low | 32.5 | Very low | 152 Ų | 152 | 130 Ų | 130 | 93% | 0.933 | 77% | 0.774 | S | S | * | * | trans | 173.6 | 156.7 | 156.4 | 18.3 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 156 | G | 27.2 | Very low | 32 | Very low | 67 Ų | 67 | 134 Ų | 134 | 69% | 0.691 | 78% | 0.783 | S | S | * | * | cis | 171.7 | 108.3 | -6.3 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 157 | A | 29.1 | Very low | 33 | Very low | 94 Ų | 94 | 132.4 Ų | 132.4 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | 75.7 | 90.3 | 85.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 158 | Y | 30.2 | Very low | 32.8 | Very low | 251 Ų | 251 | 131.6 Ų | 131.6 | 98% | 0.984 | 79% | 0.787 | S | S | * | * | trans | -172.6 | 142 | 155.2 | -85.9 | -68.3 | 0 | 0 | 0 | 107.2 | ||||
| 159 | G | 27.6 | Very low | 32.6 | Very low | 68 Ų | 68 | 133.3 Ų | 133.3 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | cis | -171.9 | 147.6 | -8.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 160 | H | 31 | Very low | 32.8 | Very low | 188 Ų | 188 | 134.2 Ų | 134.2 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | trans | -45 | 147.7 | 178.3 | -75.3 | -98.8 | 0 | 0 | 0 | 116.8 | ||||
| 161 | A | 29.1 | Very low | 32.3 | Very low | 87 Ų | 87 | 129 Ų | 129 | 72% | 0.719 | 78% | 0.778 | S | S | * | * | 72.3 | 155.2 | 73.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 162 | E | 32 | Very low | 32.5 | Very low | 166 Ų | 166 | 126.7 Ų | 126.7 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | cis | -131.5 | -119.6 | -8.1 | -156.6 | -161.5 | -78.2 | 0 | 0 | 111.2 | ||||
| 163 | T | 30.4 | Very low | 32.6 | Very low | 124 Ų | 124 | 127.1 Ų | 127.1 | 76% | 0.761 | 77% | 0.773 | S | S | * | * | cis | -160.2 | 139.3 | -1 | -30.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 164 | G | 26.4 | Very low | 32.5 | Very low | 66 Ų | 66 | 129 Ų | 129 | 68% | 0.68 | 77% | 0.771 | S | S | * | * | trans | 82.8 | 169.5 | 156.3 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 165 | A | 28.4 | Very low | 31.4 | Very low | 102 Ų | 102 | 131.3 Ų | 131.3 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | cis | -167.7 | 152.3 | -20.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 166 | H | 38.4 | Very low | 31.2 | Very low | 186 Ų | 186 | 127.9 Ų | 127.9 | 86% | 0.861 | 76% | 0.759 | S | S | * | * | trans | -78.3 | 168.9 | 169.6 | -84.8 | -70.6 | 0 | 0 | 0 | 111.6 | ||||
| 167 | P | 51.4 | Low | 31.3 | Very low | 111 Ų | 111 | 129 Ų | 129 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | -159.2 | -156.4 | 50.2 | 42.6 | -16.8 | 0 | 0 | 0 | 118.9 | |||||
| 168 | L | 28.1 | Very low | 32.3 | Very low | 154 Ų | 154 | 130.7 Ų | 130.7 | 81% | 0.806 | 77% | 0.765 | S | S | * | * | trans | 93.4 | 123.8 | 169.8 | -49.1 | -177.6 | 0 | 0 | 0 | 116.4 | ||||
| 169 | F | 27 | Very low | 32.3 | Very low | 196 Ų | 196 | 122.3 Ų | 122.3 | 86% | 0.86 | 76% | 0.755 | S | S | * | * | cis | 86.5 | 138.4 | 49.2 | -100.9 | -124.7 | 0 | 0 | 0 | 114.5 | ||||
| 170 | S | 31.3 | Very low | 32.3 | Very low | 92 Ų | 92 | 123.6 Ų | 123.6 | 64% | 0.643 | 76% | 0.758 | S | S | * | * | cis | -174.5 | 166.8 | -15.3 | -108.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 171 | G | 27.3 | Very low | 32.2 | Very low | 65 Ų | 65 | 123 Ų | 123 | 67% | 0.67 | 76% | 0.755 | S | S | * | * | trans | 140.1 | 115.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 172 | L | 31.7 | Very low | 32.2 | Very low | 144 Ų | 144 | 127.1 Ų | 127.1 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | cis | 84.1 | 134.5 | 40.7 | -64.8 | 171.1 | 0 | 0 | 0 | 114 | ||||
| 173 | H | 33 | Very low | 32.1 | Very low | 158 Ų | 158 | 127.2 Ų | 127.2 | 73% | 0.731 | 76% | 0.76 | S | S | * | * | cis | -115.1 | -149.5 | -9.1 | -62.5 | 86.8 | 0 | 0 | 0 | 108.6 | ||||
| 174 | D | 32.1 | Very low | 32 | Very low | 124 Ų | 124 | 129.8 Ų | 129.8 | 66% | 0.663 | 76% | 0.763 | S | S | * | * | cis | -169.1 | 171 | -7.3 | -133.4 | 14.9 | 0 | 0 | 0 | 105.8 | ||||
| 175 | Q | 36 | Very low | 32.2 | Very low | 163 Ų | 163 | 133.2 Ų | 133.2 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | cis | -163.2 | 179.3 | -20.9 | -135.9 | -171.9 | 107.1 | 0 | 0 | 105.2 | ||||
| 176 | A | 27.4 | Very low | 32.3 | Very low | 80 Ų | 80 | 135.7 Ų | 135.7 | 66% | 0.661 | 76% | 0.755 | S | S | * | * | cis | -154.6 | -160 | -0.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 177 | A | 28.7 | Very low | 31.9 | Very low | 91 Ų | 91 | 135.3 Ų | 135.3 | 75% | 0.752 | 75% | 0.753 | S | S | * | * | trans | -153.6 | -172.7 | 175 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 178 | P | 51.4 | Low | 31 | Very low | 129 Ų | 129 | 133.7 Ų | 133.7 | 84% | 0.838 | 75% | 0.749 | S | S | * | * | cis | -137.4 | 177.7 | -9.2 | 42.1 | -25.6 | 0 | 0 | 0 | 115.9 | ||||
| 179 | G | 28.9 | Very low | 31.2 | Very low | 75 Ų | 75 | 133.8 Ų | 133.8 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | trans | 125.2 | 149.3 | 135.7 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 180 | A | 28.9 | Very low | 31.4 | Very low | 94 Ų | 94 | 131.9 Ų | 131.9 | 78% | 0.777 | 75% | 0.748 | S | S | * | * | trans | 73.4 | 101.9 | 151.4 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 181 | H | 29 | Very low | 31.4 | Very low | 175 Ų | 175 | 130.9 Ų | 130.9 | 81% | 0.81 | 75% | 0.753 | S | S | * | * | 52.3 | 146.7 | 120.1 | -80.5 | -82.8 | 0 | 0 | 0 | 126 | |||||
| 182 | H | 28.5 | Very low | 31.6 | Very low | 174 Ų | 174 | 136.8 Ų | 136.8 | 81% | 0.806 | 76% | 0.763 | S | S | * | * | trans | 94.4 | 144.7 | 146.9 | -92.2 | 99 | 0 | 0 | 0 | 122.5 | ||||
| 183 | H | 29.7 | Very low | 31.6 | Very low | 168 Ų | 168 | 137.7 Ų | 137.7 | 78% | 0.778 | 77% | 0.765 | S | S | * | * | trans | -73.4 | 158.8 | 169 | -58.3 | -60.5 | 0 | 0 | 0 | 111.9 | ||||
| 184 | H | 28.9 | Very low | 31.6 | Very low | 178 Ų | 178 | 140.3 Ų | 140.3 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | -169.4 | -175.1 | 96.8 | -131.5 | 61 | 0 | 0 | 0 | 115.3 | |||||
| 185 | H | 30.2 | Very low | 31.5 | Very low | 139 Ų | 139 | 141.8 Ų | 141.8 | 64% | 0.644 | 78% | 0.775 | S | S | * | * | trans | -100 | 173.3 | -153.5 | -133.4 | -117.4 | 0 | 0 | 0 | 115.2 | ||||
| 186 | H | 30.6 | Very low | 31.1 | Very low | 154 Ų | 154 | 137.5 Ų | 137.5 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | trans | 69.8 | 150.5 | 160.6 | -69.7 | -57 | 0 | 0 | 0 | 117.8 | ||||
| 187 | H | 29.1 | Very low | 31 | Very low | 177 Ų | 177 | 141.9 Ų | 141.9 | 82% | 0.819 | 79% | 0.787 | S | S | * | * | cis | -142.6 | 172.8 | 38.8 | -131.8 | -87.6 | 0 | 0 | 0 | 115.8 | ||||
| 188 | A | 32.4 | Very low | 31.8 | Very low | 78 Ų | 78 | 142.9 Ų | 142.9 | 65% | 0.645 | 79% | 0.786 | S | S | * | * | trans | -131.6 | 160.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 189 | L | 32.3 | Very low | 30.8 | Very low | 156 Ų | 156 | 140.6 Ų | 140.6 | 82% | 0.817 | 79% | 0.785 | S | S | * | * | trans | -152.4 | 142.7 | 173.6 | -66.2 | 177.7 | 0 | 0 | 0 | 106.4 | ||||
| 190 | N | 32.2 | Very low | 30.7 | Very low | 155 Ų | 155 | 143.2 Ų | 143.2 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | cis | -136.5 | 171 | -5.7 | -73.2 | -48.5 | 0 | 0 | 0 | 107 | ||||
| 191 | G | 30.7 | Very low | 30.9 | Very low | 72 Ų | 72 | 146.8 Ų | 146.8 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | cis | -169.2 | 165.3 | 0.6 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 192 | Q | 33 | Very low | 30.8 | Very low | 189 Ų | 189 | 149 Ų | 149 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | trans | -90.6 | 161.4 | -163.3 | -54.2 | 167.9 | -51.2 | 0 | 0 | 114.4 | ||||
| 193 | M | 29.9 | Very low | 30.8 | Very low | 162 Ų | 162 | 144.4 Ų | 144.4 | 80% | 0.798 | 79% | 0.789 | S | S | * | * | -171 | 125.8 | 104.4 | -98.7 | -157.6 | -68.7 | 0 | 0 | 114.3 | |||||
| 194 | R | 33.3 | Very low | 30.9 | Very low | 213 Ų | 213 | 145.7 Ų | 145.7 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | 51.4 | 142.9 | 138.3 | -66.2 | -170.3 | 131 | 152.4 | -4 | 120 | ||||
| 195 | L | 30.4 | Very low | 31.4 | Very low | 155 Ų | 155 | 142.5 Ų | 142.5 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | cis | -163.3 | 157.4 | 5.6 | -114.6 | 163.9 | 0 | 0 | 0 | 108.6 | ||||
| 196 | G | 26.8 | Very low | 31.3 | Very low | 73 Ų | 73 | 141.4 Ų | 141.4 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | trans | 124.5 | 105.9 | 159.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 197 | L | 26.9 | Very low | 31.5 | Very low | 173 Ų | 173 | 141.8 Ų | 141.8 | 91% | 0.906 | 78% | 0.779 | S | S | * | * | trans | -116.7 | 178.9 | 163.2 | -82.1 | 169.7 | 0 | 0 | 0 | 107.8 | ||||
| 198 | P | 44.8 | Very low | 31.5 | Very low | 112 Ų | 112 | 143.4 Ų | 143.4 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | cis | -126 | -169.1 | -5.6 | 27.3 | -3.9 | 0 | 0 | 0 | 113.1 | ||||
| 199 | G | 30.3 | Very low | 31.3 | Very low | 81 Ų | 81 | 142.6 Ų | 142.6 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | trans | -179.8 | 54.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 200 | D | 27.4 | Very low | 31.1 | Very low | 130 Ų | 130 | 144.4 Ų | 144.4 | 70% | 0.695 | 79% | 0.787 | S | S | * | * | trans | -71.7 | 153.6 | -179.9 | -57.2 | -88.7 | 0 | 0 | 0 | 114.2 | ||||
| 201 | I | 32.2 | Very low | 31.2 | Very low | 168 Ų | 168 | 147 Ų | 147 | 86% | 0.862 | 79% | 0.785 | S | S | * | * | -175.2 | 148.1 | 119.6 | -94 | 157 | 0 | 0 | 0 | 110.7 | |||||
| 202 | Y | 28 | Very low | 31.3 | Very low | 221 Ų | 221 | 148.8 Ų | 148.8 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | trans | -86.6 | 156.6 | -171.6 | -85.3 | -115.2 | 0 | 0 | 0 | 114.3 | ||||
| 203 | G | 27.4 | Very low | 31.1 | Very low | 79 Ų | 79 | 145.5 Ų | 145.5 | 81% | 0.814 | 77% | 0.768 | S | S | * | * | trans | -172.1 | 64.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 204 | R | 32.4 | Very low | 31.1 | Very low | 194 Ų | 194 | 146.9 Ų | 146.9 | 73% | 0.732 | 77% | 0.772 | S | S | * | * | trans | -68.7 | 155.2 | 160.6 | -119.7 | 179.5 | 152.3 | -110 | -12.6 | 108.6 | E206 | R204-E206 IonicContact CZ-OE1 3.1Å; R204-E206 IonicContact NH1-OE1 2.66Å; R204-E206 PolarHBondContact NH1-OE1 3.26Å; R204-E206 IonicContact NH2-OE1 3.54Å; R204-E206 PolarHBondContact NH2-OE1 3.2Å | ||
| 205 | P | 39.1 | Very low | 31.2 | Very low | 111 Ų | 111 | 146.7 Ų | 146.7 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | -151.2 | 156.8 | 57.6 | 39.9 | -19.4 | 0 | 0 | 0 | 119.3 | |||||
| 206 | E | 28.8 | Very low | 31 | Very low | 117 Ų | 117 | 142.5 Ų | 142.5 | 55% | 0.547 | 77% | 0.767 | S | S | . | * | trans | 60.9 | 164.5 | 139.5 | -66.3 | -57.4 | 148.7 | 0 | 0 | 123.8 | R204 | R204-E206 IonicContact CZ-OE1 3.1Å; R204-E206 IonicContact NH1-OE1 2.66Å; R204-E206 PolarHBondContact NH1-OE1 3.26Å; R204-E206 IonicContact NH2-OE1 3.54Å; R204-E206 PolarHBondContact NH2-OE1 3.2Å | ||
| 207 | H | 34 | Very low | 31.4 | Very low | 161 Ų | 161 | 144.3 Ų | 144.3 | 75% | 0.745 | 77% | 0.766 | S | S | * | * | trans | -76.8 | 145.3 | -175.4 | -63.8 | -95.5 | 0 | 0 | 0 | 113.8 | ||||
| 208 | F | 28.6 | Very low | 31.3 | Very low | 212 Ų | 212 | 141.1 Ų | 141.1 | 93% | 0.93 | 76% | 0.758 | S | S | * | * | -163.8 | 156.9 | 101.7 | -116 | -89.5 | 0 | 0 | 0 | 110.3 | |||||
| 209 | G | 29 | Very low | 30.5 | Very low | 61 Ų | 61 | 141.8 Ų | 141.8 | 63% | 0.629 | 77% | 0.766 | S | S | * | * | trans | -89.1 | 135.2 | -167.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 210 | H | 28.7 | Very low | 30.5 | Very low | 194 Ų | 194 | 144.9 Ų | 144.9 | 90% | 0.898 | 76% | 0.761 | S | S | * | * | trans | -141.5 | 141.6 | 151.5 | -100.3 | -83.9 | 0 | 0 | 0 | 110.3 | P212 | H210-P212 WeakPolarHBondContact O-CD 3.27Š| ||
| 211 | R | 34.4 | Very low | 30.8 | Very low | 208 Ų | 208 | 147.3 Ų | 147.3 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 129.1 | 177.6 | 162 | -174.3 | 161.9 | 176.7 | -4.6 | 110.6 | E213 | R211-E213 IonicContact CZ-OE1 3.05Å; R211-E213 IonicContact NE-OE1 2.65Å; R211-E213 IonicContact NH2-OE1 2.67Å; R211-E213 PolarHBondContact NH2-OE1 2.9Å; R211-E213 VanDerWaalsContact NH2-OE1 3.08Å |
| 212 | P | 31.9 | Very low | 30.4 | Very low | 110 Ų | 110 | 144.6 Ų | 144.6 | 71% | 0.714 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -103.4 | 150.9 | 157.1 | -1.8 | 23.4 | 0 | 0 | 0 | 112 | H210 | H210-P212 WeakPolarHBondContact O-CD 3.27Š|
| 213 | E | 29.9 | Very low | 30.6 | Very low | 120 Ų | 120 | 144 Ų | 144 | 56% | 0.561 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 133 | 169.8 | -68.7 | -70.4 | 108.1 | 0 | 0 | 112.9 | R211 | R211-E213 IonicContact CZ-OE1 3.05Å; R211-E213 IonicContact NE-OE1 2.65Å; R211-E213 IonicContact NH2-OE1 2.67Å; R211-E213 PolarHBondContact NH2-OE1 2.9Å; R211-E213 VanDerWaalsContact NH2-OE1 3.08Å |
| 214 | H | 29.6 | Very low | 30.8 | Very low | 191 Ų | 191 | 147.2 Ų | 147.2 | 88% | 0.884 | 76% | 0.76 | S | S | * | * | trans | -123 | 71.2 | 156.7 | -91.4 | -52.2 | 0 | 0 | 0 | 110.4 | G216 | H214-G216 PolarHBondContact O-N 3.04Š| ||
| 215 | Y | 34.3 | Very low | 30.9 | Very low | 209 Ų | 209 | 143.6 Ų | 143.6 | 82% | 0.82 | 77% | 0.765 | S | S | * | * | trans | -72.9 | 75.6 | 166.9 | -144.4 | -81.2 | 0 | 0 | 0 | 109.5 | P217 | Y215-P217 WeakPolarHBondContact O-CD 3.35Š| ||
| 216 | G | 25.6 | Very low | 30.8 | Very low | 67 Ų | 67 | 146 Ų | 146 | 69% | 0.691 | 77% | 0.768 | S | S | * | * | trans | -77.5 | 113.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | H214 | H214-G216 PolarHBondContact O-N 3.04Š| ||
| 217 | P | 35.4 | Very low | 31 | Very low | 111 Ų | 111 | 147.1 Ų | 147.1 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | trans | -85.1 | 172.5 | -174.8 | 35.1 | -36.4 | 0 | 0 | 0 | 113.1 | Y215 | Y215-P217 WeakPolarHBondContact O-CD 3.35Š| ||
| 218 | S | 25.6 | Very low | 31.4 | Very low | 106 Ų | 106 | 143.7 Ų | 143.7 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | trans | 104.4 | 92.2 | 160.8 | -46.9 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 219 | S | 28.5 | Very low | 31.8 | Very low | 127 Ų | 127 | 140.9 Ų | 140.9 | 89% | 0.888 | 76% | 0.759 | S | S | * | * | trans | -143.9 | 72.4 | 131.7 | -148.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 220 | I | 29.1 | Very low | 32.7 | Very low | 145 Ų | 145 | 142.5 Ų | 142.5 | 74% | 0.744 | 76% | 0.757 | S | S | * | * | trans | -68.3 | 151 | 178.6 | -65.8 | 173.6 | 0 | 0 | 0 | 109.7 | S222 | I220-S222 PolarHBondContact O-N 2.81Š| ||
| 221 | H | 34.4 | Very low | 33.3 | Very low | 182 Ų | 182 | 139.2 Ų | 139.2 | 84% | 0.843 | 75% | 0.746 | S | S | * | * | trans | -59.8 | 100.2 | 173.5 | -81.2 | -2.1 | 0 | 0 | 0 | 112.8 | ||||
| 222 | S | 24.8 | Very low | 33.9 | Very low | 110 Ų | 110 | 133.3 Ų | 133.3 | 77% | 0.769 | 73% | 0.729 | S | S | * | * | trans | -104 | 89.5 | 162.7 | -72.7 | 0 | 0 | 0 | 0 | 110.7 | I220 | I220-S222 PolarHBondContact O-N 2.81Š| ||
| 223 | Y | 31 | Very low | 34.6 | Very low | 208 Ų | 208 | 132.8 Ų | 132.8 | 82% | 0.816 | 73% | 0.734 | S | S | * | * | trans | -111.6 | 8.4 | 164.7 | -98.3 | -77.1 | 0 | 0 | 0 | 113.1 | ||||
| 224 | N | 32.8 | Very low | 35.3 | Very low | 148 Ų | 148 | 131.8 Ų | 131.8 | 79% | 0.791 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -94.7 | 151.9 | 168.5 | -70.8 | -16.7 | 0 | 0 | 0 | 110.4 | ||
| 225 | S | 34 | Very low | 36.3 | Very low | 117 Ų | 117 | 123.5 Ų | 123.5 | 82% | 0.818 | 71% | 0.705 | S | S | * | * | trans | 54.3 | 63.7 | 175 | 62.1 | 0 | 0 | 0 | 0 | 117.6 | N227 | S225-N227 VanDerWaalsContact C-N 3.33Å; S225-N227 PolarHBondContact O-N 3.13Å | ||
| 226 | M | 37.2 | Very low | 36.9 | Very low | 162 Ų | 162 | 118 Ų | 118 | 80% | 0.798 | 69% | 0.694 | S | S | * | * | trans | -79.8 | 87.3 | 144.6 | -82.2 | -168.4 | -74.3 | 0 | 0 | 108.8 | L228 | M226-L228 PolarHBondContact O-N 3.18Š| ||
| 227 | N | 33.1 | Very low | 38.2 | Very low | 141 Ų | 141 | 122.4 Ų | 122.4 | 75% | 0.754 | 70% | 0.697 | S | S | * | * | trans | -70.4 | 113.6 | 175.3 | -172 | -15.3 | 0 | 0 | 0 | 109.5 | S225 N229 | S225-N227 VanDerWaalsContact C-N 3.33Å; S225-N227 PolarHBondContact O-N 3.13Å; N227-N229 PolarHBondContact O-N 2.99Å | ||
| 228 | L | 42.4 | Very low | 38.9 | Very low | 88 Ų | 88 | 119.2 Ų | 119.2 | 46% | 0.461 | 68% | 0.684 | S | S | . | * | trans | -96.7 | 16 | -162.7 | -125.7 | 159.8 | 0 | 0 | 0 | 113.8 | M226 V230 L244 | M226-L228 PolarHBondContact O-N 3.18Å; L228-V230 PolarHBondContact O-N 2.94Å; L228-L244 HydrophobicContact CD2-CD2 3.79Å | ||
| 229 | N | 36.4 | Very low | 40 | Very low | 153 Ų | 153 | 117 Ų | 117 | 82% | 0.818 | 67% | 0.673 | S | S | * | * | trans | -82 | 47.4 | -176.1 | -154.6 | 28.8 | 0 | 0 | 0 | 113.5 | N227 | N227-N229 PolarHBondContact O-N 2.99Š| ||
| 230 | V | 47.3 | Very low | 41.1 | Very low | 95 Ų | 95 | 114.2 Ų | 114.2 | 58% | 0.576 | 66% | 0.657 | S | S | * | * | trans | -93 | 127.2 | 179.3 | 179.2 | 0 | 0 | 0 | 0 | 110 | L228 I232 | L228-V230 PolarHBondContact O-N 2.94Å; V230-I232 PolarHBondContact O-N 2.97Å | ||
| 231 | N | 41.3 | Very low | 42.3 | Very low | 126 Ų | 126 | 107.4 Ų | 107.4 | 67% | 0.674 | 62% | 0.622 | S | S | * | * | trans | -67.6 | 126.2 | 179 | -167.4 | -11.2 | 0 | 0 | 0 | 111 | A233 S234 | N231-A233 PolarHBondContact O-N 3.26Å; N231-S234 PolarHBondContact O-OG 3.15Å | ||
| 232 | I | 47.4 | Very low | 43.4 | Very low | 83 Ų | 83 | 101.3 Ų | 101.3 | 43% | 0.426 | 60% | 0.604 | S | S | . | * | G | 310 helix | trans | -79.1 | -21.3 | -164.4 | -69.4 | 172.2 | 0 | 0 | 0 | 113 | V230 S234 A235 | V230-I232 PolarHBondContact O-N 2.97Å; I232-S234 PolarHBondContact O-N 2.93Å; I232-S234 VanDerWaalsContact O-N 3.1Å; I232-A235 WeakPolarHBondContact O-CB 3.46Å; I232-A235 PolarHBondContact O-N 2.69Å; I232-A235 VanDerWaalsContact O-N 3.13Å |
| 233 | A | 46.5 | Very low | 44.7 | Very low | 100 Ų | 100 | 99.3 Ų | 99.3 | 83% | 0.826 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -60.3 | -22.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.2 | N231 | N231-A233 PolarHBondContact O-N 3.26Š|
| 234 | S | 45.3 | Very low | 46 | Very low | 99 Ų | 99 | 92.2 Ų | 92.2 | 69% | 0.692 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -109.1 | 8.7 | 179.9 | 52.6 | 0 | 0 | 0 | 0 | 114.2 | N231 I232 P236 | N231-S234 PolarHBondContact O-OG 3.15Å; I232-S234 PolarHBondContact O-N 2.93Å; I232-S234 VanDerWaalsContact O-N 3.1Å; S234-P236 WeakPolarHBondContact O-CD 3.46Å |
| 235 | A | 49.4 | Very low | 47.2 | Very low | 17 Ų | 17 | 90.5 Ų | 90.5 | 14% | 0.14 | 54% | 0.539 | C | S | . | . | trans | -69.5 | 115.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I232 | I232-A235 WeakPolarHBondContact O-CB 3.46Å; I232-A235 PolarHBondContact O-N 2.69Å; I232-A235 VanDerWaalsContact O-N 3.13Å | ||
| 236 | P | 48 | Very low | 48.2 | Very low | 92 Ų | 92 | 89 Ų | 89 | 60% | 0.597 | 52% | 0.516 | S | S | * | . | trans | -68.5 | 151.4 | -172.3 | 27.7 | -35.6 | 0 | 0 | 0 | 112.4 | S234 G238 G241 | S234-P236 WeakPolarHBondContact O-CD 3.46Å; P236-G238 PolarHBondContact O-N 3.25Å; P236-G241 WeakPolarHBondContact O-CA 3.32Å | ||
| 237 | H | 51.6 | Low | 49 | Very low | 161 Ų | 161 | 82.8 Ų | 82.8 | 75% | 0.745 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | 9.6 | -176.3 | -80.1 | -132.1 | 0 | 0 | 0 | 115.2 | R245 | H237-R245 PolarHBondContact CD2-NH2 2.93Å; H237-R245 VanDerWaalsContact CD2-NH2 3.3Å; H237-R245 PolarHBondContact NE2-NH1 2.8Å; H237-R245 PolarHBondContact NE2-NH2 2.86Å |
| 238 | G | 50.6 | Low | 50 | Low | 43 Ų | 43 | 84 Ų | 84 | 44% | 0.443 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -178.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | P236 A240 G241 A242 | P236-G238 PolarHBondContact O-N 3.25Å; G238-A240 PolarHBondContact O-N 2.6Å; G238-A240 VanDerWaalsContact O-N 3.09Å; G238-G241 PolarHBondContact O-N 3.47Å; G238-A242 PolarHBondContact O-N 2.72Å |
| 239 | A | 50 | Low | 50.5 | Low | 61 Ų | 61 | 85.4 Ų | 85.4 | 50% | 0.504 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -56.9 | -29.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | F243 P333 | A239-F243 WeakPolarHBondContact O-CB 3.4Å; A239-F243 PolarHBondContact O-N 2.81Å; A239-P333 HydrophobicContact CB-CB 4.4Å |
| 240 | A | 50.6 | Low | 51 | Low | 68 Ų | 68 | 82.9 Ų | 82.9 | 56% | 0.562 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -69.1 | -42.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | G238 F243 L244 | G238-A240 PolarHBondContact O-N 2.6Å; G238-A240 VanDerWaalsContact O-N 3.09Å; A240-F243 PolarHBondContact O-N 3.19Å; A240-L244 WeakPolarHBondContact O-CG 3.23Å; A240-L244 PolarHBondContact O-N 3.17Å |
| 241 | G | 55.2 | Low | 51.1 | Low | 1 Ų | 1 | 82.5 Ų | 82.5 | 1% | 0.01 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -66.9 | -38 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | P236 G238 L244 R245 | P236-G241 WeakPolarHBondContact O-CA 3.32Å; G238-G241 PolarHBondContact O-N 3.47Å; G241-L244 PolarHBondContact O-N 3.13Å; G241-R245 WeakPolarHBondContact O-CB 3.34Å; G241-R245 WeakPolarHBondContact O-CD 3.38Å; G241-R245 WeakPolarHBondContact O-CG 3.33Å; G241-R245 PolarHBondContact O-N 3.1Å |
| 242 | A | 55.7 | Low | 51.4 | Low | 55 Ų | 55 | 86.5 Ų | 86.5 | 46% | 0.455 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.5 | -40.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | G238 R245 Y246 | G238-A242 PolarHBondContact O-N 2.72Å; A242-R245 PolarHBondContact O-N 2.68Å; A242-Y246 WeakPolarHBondContact O-CB 3.4Å; A242-Y246 PolarHBondContact O-N 2.96Å |
| 243 | F | 53.2 | Low | 51.7 | Low | 68 Ų | 68 | 89.2 Ų | 89.2 | 30% | 0.298 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.7 | -50.9 | 173.3 | 169.7 | -98.1 | 0 | 0 | 0 | 111.7 | A239 A240 R245 Y246 M247 P329 P331 | A239-F243 WeakPolarHBondContact O-CB 3.4Å; A239-F243 PolarHBondContact O-N 2.81Å; A240-F243 PolarHBondContact O-N 3.19Å; F243-R245 VanDerWaalsContact C-N 3.34Å; F243-R245 PolarHBondContact O-N 3.15Å; F243-Y246 PolarHBondContact O-N 3.28Å; F243-M247 HydrophobicContact CD1-CG 4.35Å; F243-M247 HydrophobicContact CD2-CG 3.96Å; F243-M247 HydrophobicContact CE1-CG 4.08Å; F243-M247 HydrophobicContact CE2-CE 4.36Å; F243-M247 HydrophobicContact CE2-CG 3.66Å; F243-M247 HydrophobicContact CE2-SD 3.94Å; F243-M247 HydrophobicContact CG-CG 4.3Å; F243-M247 HydrophobicContact CZ-CE 4.13Å; F243-M247 HydrophobicContact CZ-CG 3.73Å; F243-M247 HydrophobicContact CZ-SD 4.23Å; F243-M247 WeakPolarHBondContact O-CB 3.27Å; F243-M247 VanDerWaalsContact O-CG 3.23Å; F243-M247 WeakPolarHBondContact O-CG 3.35Å; F243-M247 PolarHBondContact O-N 3.13Å; F243-P329 HydrophobicContact CE2-CB 4.45Å; F243-P329 WeakPolarHBondContact CE2-O 3.11Å; F243-P331 HydrophobicContact CD2-CG 4.47Å |
| 244 | L | 58 | Low | 52.4 | Low | 58 Ų | 58 | 92 Ų | 92 | 30% | 0.304 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.2 | -39.3 | 178 | -68.7 | 174.9 | 0 | 0 | 0 | 112.5 | L228 A240 G241 R248 | L228-L244 HydrophobicContact CD2-CD2 3.79Å; A240-L244 WeakPolarHBondContact O-CG 3.23Å; A240-L244 PolarHBondContact O-N 3.17Å; G241-L244 PolarHBondContact O-N 3.13Å; L244-R248 WeakPolarHBondContact O-CB 3.47Å; L244-R248 PolarHBondContact O-N 3.2Å |
| 245 | R | 57.3 | Low | 53.6 | Low | 113 Ų | 113 | 88.5 Ų | 88.5 | 43% | 0.426 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.5 | -37.7 | 175.3 | -71 | 167.2 | -171.4 | 179.7 | 2.1 | 112.1 | H237 G241 A242 F243 Q249 | H237-R245 PolarHBondContact CD2-NH2 2.93Å; H237-R245 VanDerWaalsContact CD2-NH2 3.3Å; H237-R245 PolarHBondContact NE2-NH1 2.8Å; H237-R245 PolarHBondContact NE2-NH2 2.86Å; G241-R245 WeakPolarHBondContact O-CB 3.34Å; G241-R245 WeakPolarHBondContact O-CD 3.38Å; G241-R245 WeakPolarHBondContact O-CG 3.33Å; G241-R245 PolarHBondContact O-N 3.1Å; A242-R245 PolarHBondContact O-N 2.68Å; F243-R245 VanDerWaalsContact C-N 3.34Å; F243-R245 PolarHBondContact O-N 3.15Å; R245-Q249 WeakPolarHBondContact O-CG 3.06Å; R245-Q249 PolarHBondContact O-N 3.09Å; R245-Q249 VanDerWaalsContact O-N 3.15Å |
| 246 | Y | 55.8 | Low | 54.7 | Low | 84 Ų | 84 | 91.9 Ų | 91.9 | 33% | 0.329 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -70.2 | -45.6 | 174.5 | 176.3 | -106.8 | 0 | 0 | 0 | 112.3 | A242 F243 R248 Q249 K328 V340 | A242-Y246 WeakPolarHBondContact O-CB 3.4Å; A242-Y246 PolarHBondContact O-N 2.96Å; F243-Y246 PolarHBondContact O-N 3.28Å; Y246-R248 VanDerWaalsContact C-N 3.26Å; Y246-R248 PolarHBondContact O-N 3.42Å; Y246-Q249 PolarHBondContact O-N 3.34Å; Y246-K328 WeakPolarHBondContact CE1-O 3.38Å; Y246-V340 HydrophobicContact CE1-CG1 4.39Å; Y246-V340 HydrophobicContact CE2-CG1 4.29Å |
| 247 | M | 53.9 | Low | 56.1 | Low | 33 Ų | 33 | 87.6 Ų | 87.6 | 16% | 0.163 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -67.3 | -25.4 | -179.9 | -65.4 | -68.8 | -77.9 | 0 | 0 | 112.9 | F243 H278 P329 | F243-M247 HydrophobicContact CD1-CG 4.35Å; F243-M247 HydrophobicContact CD2-CG 3.96Å; F243-M247 HydrophobicContact CE1-CG 4.08Å; F243-M247 HydrophobicContact CE2-CE 4.36Å; F243-M247 HydrophobicContact CE2-CG 3.66Å; F243-M247 HydrophobicContact CE2-SD 3.94Å; F243-M247 HydrophobicContact CG-CG 4.3Å; F243-M247 HydrophobicContact CZ-CE 4.13Å; F243-M247 HydrophobicContact CZ-CG 3.73Å; F243-M247 HydrophobicContact CZ-SD 4.23Å; F243-M247 WeakPolarHBondContact O-CB 3.27Å; F243-M247 VanDerWaalsContact O-CG 3.23Å; F243-M247 WeakPolarHBondContact O-CG 3.35Å; F243-M247 PolarHBondContact O-N 3.13Å; M247-H278 HydrophobicContact CE-CB 4Å; M247-P329 HydrophobicContact CE-CB 4.44Å; M247-P329 HydrophobicContact SD-CB 4.22Å |
| 248 | R | 53.9 | Low | 57.3 | Low | 165 Ų | 165 | 83.1 Ų | 83.1 | 62% | 0.623 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.3 | 21.4 | 175.8 | -153.2 | -167 | -103.3 | -148.6 | -1 | 113.3 | L244 Y246 P250 | L244-R248 WeakPolarHBondContact O-CB 3.47Å; L244-R248 PolarHBondContact O-N 3.2Å; Y246-R248 VanDerWaalsContact C-N 3.26Å; Y246-R248 PolarHBondContact O-N 3.42Å; R248-P250 WeakPolarHBondContact O-CD 3.35Å |
| 249 | Q | 53.5 | Low | 58.5 | Low | 119 Ų | 119 | 81.5 Ų | 81.5 | 56% | 0.556 | 41% | 0.407 | S | S | * | . | trans | -73.3 | 118.5 | 166.8 | -101.5 | 172 | -2.4 | 0 | 0 | 108.8 | R245 Y246 I251 | R245-Q249 WeakPolarHBondContact O-CG 3.06Å; R245-Q249 PolarHBondContact O-N 3.09Å; R245-Q249 VanDerWaalsContact O-N 3.15Å; Y246-Q249 PolarHBondContact O-N 3.34Å; Q249-I251 PolarHBondContact O-N 3.47Å | ||
| 250 | P | 45.8 | Very low | 59.7 | Low | 100 Ų | 100 | 80.1 Ų | 80.1 | 65% | 0.649 | 39% | 0.391 | S | S | * | . | trans | -73.3 | 95.2 | 176.7 | 30.1 | -33.3 | 0 | 0 | 0 | 109.1 | R248 K252 | R248-P250 WeakPolarHBondContact O-CD 3.35Å; P250-K252 PolarHBondContact O-N 3.31Å | ||
| 251 | I | 51.3 | Low | 60.7 | Low | 86 Ų | 86 | 80.5 Ų | 80.5 | 44% | 0.441 | 38% | 0.381 | S | S | . | . | trans | -60.4 | 117.8 | 161.2 | -56.7 | 175.5 | 0 | 0 | 0 | 105.4 | Q249 Q253 M277 | Q249-I251 PolarHBondContact O-N 3.47Å; I251-Q253 HydrophobicContact CG2-CB 4.09Å; I251-Q253 HydrophobicContact CG2-CG 4.13Å; I251-Q253 PolarHBondContact O-N 3.33Å; I251-M277 HydrophobicContact CD1-CE 4.31Å | ||
| 252 | K | 46.7 | Very low | 60.8 | Low | 210 Ų | 210 | 87.3 Ų | 87.3 | 91% | 0.913 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -75.9 | 46.6 | -177.7 | -63.6 | -172.3 | 178.1 | -174.7 | 0 | 112.4 | P250 | P250-K252 PolarHBondContact O-N 3.31Š|
| 253 | Q | 54.1 | Low | 60.8 | Low | 140 Ų | 140 | 88.5 Ų | 88.5 | 65% | 0.654 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -134 | 124.1 | 176.2 | -61.7 | -176.5 | -64 | 0 | 0 | 106.5 | I251 L255 | I251-Q253 HydrophobicContact CG2-CB 4.09Å; I251-Q253 HydrophobicContact CG2-CG 4.13Å; I251-Q253 PolarHBondContact O-N 3.33Å; Q253-L255 PolarHBondContact O-N 3.45Å |
| 254 | E | 61.5 | Low | 61 | Low | 159 Ų | 159 | 95 Ų | 95 | 74% | 0.743 | 44% | 0.443 | S | S | * | . | trans | -66.2 | 115.5 | 178.3 | -63.3 | 178.6 | 162.1 | 0 | 0 | 108.9 | I256 T273 | E254-I256 PolarHBondContact O-N 3.3Å; E254-T273 HydrophobicContact CB-CG2 4.34Å | ||
| 255 | L | 70.1 | Confident | 60.8 | Low | 25 Ų | 25 | 98.8 Ų | 98.8 | 13% | 0.131 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 87.9 | -173.9 | -65 | 175.6 | 0 | 0 | 0 | 109.3 | Q253 Y274 M277 L280 | Q253-L255 PolarHBondContact O-N 3.45Å; L255-Y274 PolarHBondContact N-O 2.76Å; L255-Y274 VanDerWaalsContact N-O 3.13Å; L255-Y274 PolarHBondContact O-N 3.46Å; L255-M277 HydrophobicContact CD1-CB 4.17Å; L255-M277 HydrophobicContact CD1-CE 3.62Å; L255-M277 HydrophobicContact CD1-SD 3.89Å; L255-M277 HydrophobicContact CD2-CE 3.73Å; L255-M277 HydrophobicContact CG-CE 4.35Å; L255-L280 HydrophobicContact CB-CD2 4.07Å |
| 256 | I | 72.9 | Confident | 60.7 | Low | 89 Ų | 89 | 95.3 Ų | 95.3 | 46% | 0.456 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 129.4 | 177.9 | -63.1 | 160.7 | 0 | 0 | 0 | 109.8 | E254 T273 | E254-I256 PolarHBondContact O-N 3.3Å; I256-T273 HydrophobicContact CG1-CG2 3.71Å |
| 257 | C | 77.8 | Confident | 60.9 | Low | 1 Ų | 1 | 99.4 Ų | 99.4 | 1% | 0.007 | 48% | 0.481 | C | S | . | . | trans | -71.1 | 135.9 | 166 | -174.5 | 0 | 0 | 0 | 0 | 110.1 | C270 K272 Y274 L280 | C257-C270 CarbonylContact C-O 3.5Å; C257-C270 VanDerWaalsContact CB-O 3.27Å; C257-C270 WeakPolarHBondContact CB-O 3.37Å; C257-K272 PolarHBondContact N-O 2.67Å; C257-Y274 HydrophobicContact CB-CE2 4.5Å; C257-L280 HydrophobicContact CB-CD1 3.61Å | ||
| 258 | K | 75.6 | Confident | 61.6 | Low | 67 Ų | 67 | 102.6 Ų | 102.6 | 29% | 0.291 | 49% | 0.494 | S | S | . | . | trans | -118.9 | 36 | 176.7 | -75.1 | 171.1 | 146.8 | -92.6 | 0 | 110.9 | W301 E302 E303 | K258-W301 HydrophobicContact CB-CD2 4.14Å; K258-W301 HydrophobicContact CB-CH2 4.41Å; K258-W301 HydrophobicContact CB-CZ2 3.8Å; K258-W301 WeakPolarHBondContact O-CA 3.43Å; K258-E302 HydrophobicContact CB-CG 4.22Å; K258-E302 WeakPolarHBondContact CG-OE2 3.1Å; K258-E302 IonicContact NZ-OE2 2.72Å; K258-E302 PolarHBondContact NZ-OE2 3.2Å; K258-E302 PolarHBondContact O-N 3.21Å; K258-E302 VanDerWaalsContact O-N 3.15Å; K258-E303 IonicContact NZ-OE1 3.49Å; K258-E303 PolarHBondContact NZ-OE1 3.29Å | ||
| 259 | W | 76.3 | Confident | 62.6 | Low | 9 Ų | 9 | 97.5 Ų | 97.5 | 3% | 0.034 | 48% | 0.482 | C | S | . | . | B | Isolated β-bridge | trans | -83.6 | 130.5 | 176.4 | -165.6 | -79.7 | 0 | 0 | 0 | 110.3 | P269 C270 V284 H288 V289 V298 F300 W301 L317 I321 | W259-P269 CarbonylContact O-C 3.56Å; W259-P269 WeakPolarHBondContact O-CA 3.43Å; W259-C270 HydrophobicContact CB-CB 4.43Å; W259-C270 PolarHBondContact O-N 3.41Å; W259-V284 HydrophobicContact CD2-CG1 4.4Å; W259-V284 HydrophobicContact CE3-CG1 3.58Å; W259-V284 HydrophobicContact CZ3-CG1 3.75Å; W259-H288 VanDerWaalsContact CB-CD2 3.42Å; W259-H288 WeakPolarHBondContact CB-CD2 3.44Å; W259-H288 AromaticContact CD1-CD2 3.71Å; W259-H288 AromaticContact CD1-CG 3.49Å; W259-H288 VanDerWaalsContact CD1-CG 3.49Å; W259-H288 AromaticContact CD1-ND1 3.77Å; W259-H288 HydrophobicContact CD2-CB 3.78Å; W259-H288 AromaticContact CD2-CD2 3.92Å; W259-H288 AromaticContact CD2-CG 4Å; W259-H288 HydrophobicContact CE3-CB 4.47Å; W259-H288 HydrophobicContact CG-CB 3.91Å; W259-H288 AromaticContact CG-CD2 3.37Å; W259-H288 AromaticContact CG-CG 3.59Å; W259-H288 AromaticContact CG-NE2 3.9Å; W259-H288 HydrophobicContact CZ2-CB 4.09Å; W259-H288 AromaticContact NE1-CG 3.86Å; W259-V289 HydrophobicContact CH2-CG2 4.04Å; W259-V298 WeakPolarHBondContact CH2-O 3.23Å; W259-F300 CarbonylContact C-O 3.58Å; W259-F300 WeakPolarHBondContact CA-O 3.44Å; W259-F300 HydrophobicContact CZ2-CB 4.2Å; W259-F300 AromaticContact CZ2-CD2 3.82Å; W259-F300 HydrophobicContact CZ2-CD2 3.82Å; W259-F300 HydrophobicContact CZ2-CG 4.47Å; W259-F300 AromaticContact NE1-CD2 3.97Å; W259-W301 HydrophobicContact CE3-CE3 4.22Å; W259-L317 HydrophobicContact CH2-CD1 4.49Å; W259-L317 HydrophobicContact CH2-CD2 4.36Å; W259-I321 HydrophobicContact CZ3-CD1 3.99Å; W259-I321 HydrophobicContact CZ3-CG1 4.09Å |
| 260 | I | 75 | Confident | 63.7 | Low | 32 Ų | 32 | 92.2 Ų | 92.2 | 16% | 0.164 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 120.5 | 176 | -57.5 | 173.7 | 0 | 0 | 0 | 108.7 | K267 F300 E302 | I260-K267 HydrophobicContact CG2-CB 3.8Å; I260-K267 HydrophobicContact CG2-CD 4.33Å; I260-K267 HydrophobicContact CG2-CG 4.04Å; I260-F300 HydrophobicContact CB-CB 4.37Å; I260-F300 PolarHBondContact N-O 3.01Å; I260-F300 WeakPolarHBondContact O-CB 3.32Å; I260-E302 HydrophobicContact CD1-CG 4.09Å; I260-E302 HydrophobicContact CG1-CG 3.93Å |
| 261 | E | 70.6 | Confident | 65.1 | Low | 77 Ų | 77 | 91.7 Ų | 91.7 | 36% | 0.36 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 132.8 | 169.5 | -65.6 | -179.2 | 151.2 | 0 | 0 | 109.5 | D263 K268 H288 | E261-D263 PolarHBondContact O-N 3.21Å; E261-K268 PolarHBondContact N-O 3.2Å; E261-H288 IonicContact OE1-CE1 2.86Å; E261-H288 PolarHBondContact OE1-CE1 2.94Å; E261-H288 IonicContact OE1-ND1 2.67Å; E261-H288 PolarHBondContact OE1-ND1 3.28Å |
| 262 | Q | 58.8 | Low | 66.4 | Low | 143 Ų | 143 | 91.8 Ų | 91.8 | 67% | 0.668 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 57.2 | -171.1 | -162.8 | 177.2 | 0.3 | 0 | 0 | 111.7 | F300 | Q262-F300 VanDerWaalsContact OE1-CZ 3.29Å |
| 263 | D | 54.2 | Low | 67.8 | Low | 81 Ų | 81 | 85.7 Ų | 85.7 | 43% | 0.433 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 133.9 | 165.7 | -68.1 | -21.5 | 0 | 0 | 0 | 109.2 | E261 T265 S266 K268 | E261-D263 PolarHBondContact O-N 3.21Å; D263-T265 PolarHBondContact O-N 3.45Å; D263-S266 PolarHBondContact O-N 2.87Å; D263-S266 VanDerWaalsContact O-N 3.17Å; D263-K268 IonicContact OD2-NZ 2.68Å; D263-K268 PolarHBondContact OD2-NZ 3.33Å |
| 264 | E | 57.4 | Low | 68.9 | Low | 203 Ų | 203 | 81.1 Ų | 81.1 | 95% | 0.949 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -15.2 | -174.3 | -62.2 | -168.2 | 132.9 | 0 | 0 | 115 | ||
| 265 | T | 53.8 | Low | 69.1 | Low | 138 Ų | 138 | 77.4 Ų | 77.4 | 85% | 0.847 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117 | -7.3 | -178.4 | 54.5 | 0 | 0 | 0 | 0 | 114.8 | D263 | D263-T265 PolarHBondContact O-N 3.45Š|
| 266 | S | 55.5 | Low | 69.2 | Low | 40 Ų | 40 | 77 Ų | 77 | 28% | 0.28 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.9 | 120.1 | 177.1 | 65.2 | 0 | 0 | 0 | 0 | 113.1 | D263 K268 | D263-S266 PolarHBondContact O-N 2.87Å; D263-S266 VanDerWaalsContact O-N 3.17Å; S266-K268 PolarHBondContact O-N 3.39Å; S266-K268 WeakPolarHBondContact OG-CE 3.49Å; S266-K268 PolarHBondContact OG-NZ 2.92Å |
| 267 | K | 60.9 | Low | 68.9 | Low | 171 Ų | 171 | 74.5 Ų | 74.5 | 74% | 0.743 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 110.5 | 165 | -68.4 | -176 | -179.4 | -174.5 | 0 | 109.4 | I260 | I260-K267 HydrophobicContact CG2-CB 3.8Å; I260-K267 HydrophobicContact CG2-CD 4.33Å; I260-K267 HydrophobicContact CG2-CG 4.04Å |
| 268 | K | 69.3 | Low | 68.7 | Low | 100 Ų | 100 | 77 Ų | 77 | 44% | 0.435 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 127.3 | 175.2 | -62.5 | -176.5 | -169.4 | 88.2 | 0 | 109.6 | E261 D263 S266 | E261-K268 PolarHBondContact N-O 3.2Å; D263-K268 IonicContact OD2-NZ 2.68Å; D263-K268 PolarHBondContact OD2-NZ 3.33Å; S266-K268 PolarHBondContact O-N 3.39Å; S266-K268 WeakPolarHBondContact OG-CE 3.49Å; S266-K268 PolarHBondContact OG-NZ 2.92Å |
| 269 | P | 74.6 | Confident | 68.7 | Low | 58 Ų | 58 | 77.2 Ų | 77.2 | 38% | 0.377 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 134.2 | 169.6 | 30.7 | -32 | 0 | 0 | 0 | 109.8 | W259 S271 | W259-P269 CarbonylContact O-C 3.56Å; W259-P269 WeakPolarHBondContact O-CA 3.43Å; P269-S271 VanDerWaalsContact C-N 3.31Å; P269-S271 PolarHBondContact O-N 3.01Å; P269-S271 PolarHBondContact O-OG 2.92Å |
| 270 | C | 76.3 | Confident | 68.7 | Low | 8 Ų | 8 | 77 Ų | 77 | 5% | 0.054 | 40% | 0.402 | C | S | . | . | trans | -71.5 | 83.2 | 175.9 | -178.7 | 0 | 0 | 0 | 0 | 110.3 | C257 W259 K272 H283 H288 | C257-C270 CarbonylContact C-O 3.5Å; C257-C270 VanDerWaalsContact CB-O 3.27Å; C257-C270 WeakPolarHBondContact CB-O 3.37Å; W259-C270 HydrophobicContact CB-CB 4.43Å; W259-C270 PolarHBondContact O-N 3.41Å; C270-K272 PolarHBondContact O-N 3.4Å; C270-H283 PolarHBondContact SG-CE1 2.85Å; C270-H283 PolarHBondContact SG-NE2 3.46Å; C270-H288 VanDerWaalsContact CB-CE1 3.47Å; C270-H288 WeakPolarHBondContact CB-CE1 3.34Å; C270-H288 VanDerWaalsContact CB-NE2 3.35Å; C270-H288 WeakPolarHBondContact CB-NE2 3.33Å; C270-H288 PolarHBondContact SG-CE1 3.4Å; C270-H288 PolarHBondContact SG-NE2 3.44Å | ||
| 271 | S | 74.4 | Confident | 68.6 | Low | 88 Ų | 88 | 75.7 Ų | 75.7 | 62% | 0.615 | 40% | 0.395 | S | S | * | . | trans | -72.1 | 29.5 | -173.1 | -53.3 | 0 | 0 | 0 | 0 | 115.4 | P269 | P269-S271 VanDerWaalsContact C-N 3.31Å; P269-S271 PolarHBondContact O-N 3.01Å; P269-S271 PolarHBondContact O-OG 2.92Å | ||
| 272 | K | 78.7 | Confident | 68.9 | Low | 88 Ų | 88 | 75.3 Ų | 75.3 | 38% | 0.383 | 40% | 0.396 | S | S | . | . | trans | -74 | 129.8 | 179.1 | -61.6 | -177.5 | -162.9 | -175 | 0 | 110.4 | C257 C270 Y274 E287 | C257-K272 PolarHBondContact N-O 2.67Å; C270-K272 PolarHBondContact O-N 3.4Å; K272-Y274 HydrophobicContact CB-CE2 3.6Å; K272-Y274 WeakPolarHBondContact CB-OH 3.16Å; K272-Y274 VanDerWaalsContact CD-OH 3.27Å; K272-Y274 WeakPolarHBondContact CD-OH 3.32Å; K272-E287 IonicContact NZ-OE1 2.76Å; K272-E287 IonicContact NZ-OE2 3.26Å; K272-E287 PolarHBondContact NZ-OE2 3.48Å | ||
| 273 | T | 75.5 | Confident | 69.9 | Low | 82 Ų | 82 | 69 Ų | 69 | 50% | 0.503 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 145.1 | 176.8 | 43.5 | 0 | 0 | 0 | 0 | 111.7 | E254 I256 | E254-T273 HydrophobicContact CB-CG2 4.34Å; I256-T273 HydrophobicContact CG1-CG2 3.71Å |
| 274 | Y | 77.4 | Confident | 71 | Confident | 45 Ų | 45 | 65.2 Ų | 65.2 | 18% | 0.176 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 148 | -178.6 | -66.7 | -72.4 | 0 | 0 | 0 | 113 | L255 C257 K272 E279 L280 H283 | L255-Y274 PolarHBondContact N-O 2.76Å; L255-Y274 VanDerWaalsContact N-O 3.13Å; L255-Y274 PolarHBondContact O-N 3.46Å; C257-Y274 HydrophobicContact CB-CE2 4.5Å; K272-Y274 HydrophobicContact CB-CE2 3.6Å; K272-Y274 WeakPolarHBondContact CB-OH 3.16Å; K272-Y274 VanDerWaalsContact CD-OH 3.27Å; K272-Y274 WeakPolarHBondContact CD-OH 3.32Å; Y274-E279 HydrophobicContact CD1-CB 3.51Å; Y274-E279 HydrophobicContact CE1-CB 4.34Å; Y274-E279 HydrophobicContact CG-CB 4.07Å; Y274-L280 HydrophobicContact CD2-CB 3.85Å; Y274-L280 HydrophobicContact CD2-CD1 3.75Å; Y274-L280 HydrophobicContact CD2-CG 4.38Å; Y274-L280 HydrophobicContact CE2-CD1 4.14Å; Y274-L280 HydrophobicContact CG-CB 4.02Å; Y274-H283 HydrophobicContact CE1-CB 4.1Å; Y274-H283 HydrophobicContact CE2-CB 4.05Å; Y274-H283 AromaticContact CE2-CD2 3.35Å; Y274-H283 WeakPolarHBondContact CE2-CD2 3.38Å; Y274-H283 AromaticContact CE2-CG 3.82Å; Y274-H283 AromaticContact CZ-CD2 3.59Å; Y274-H283 AromaticContact CZ-CG 3.54Å; Y274-H283 WeakPolarHBondContact OH-CB 3.44Å; Y274-H283 PolarHBondContact OH-CD2 3.29Å; Y274-H283 VanDerWaalsContact OH-CD2 3.3Å; Y274-H283 PolarHBondContact OH-ND1 3.29Å |
| 275 | S | 66.8 | Low | 71.8 | Confident | 81 Ų | 81 | 56.5 Ų | 56.5 | 57% | 0.566 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -92 | -27.6 | -176.2 | 77.8 | 0 | 0 | 0 | 0 | 112.7 | E279 | S275-E279 WeakPolarHBondContact CA-OE2 3.37Å; S275-E279 WeakPolarHBondContact CB-OE2 3.47Å; S275-E279 PolarHBondContact N-OE2 2.92Å; S275-E279 PolarHBondContact OG-OE1 3.04Å; S275-E279 PolarHBondContact OG-OE2 2.79Å |
| 276 | T | 72.3 | Confident | 72.8 | Confident | 17 Ų | 17 | 54.8 Ų | 54.8 | 10% | 0.104 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -125.6 | 153.8 | 171 | 74.2 | 0 | 0 | 0 | 0 | 112.2 | H278 E279 L280 | T276-H278 PolarHBondContact O-N 3.48Å; T276-E279 WeakPolarHBondContact CB-OE1 3.24Å; T276-E279 VanDerWaalsContact CG2-OE1 3.23Å; T276-E279 WeakPolarHBondContact CG2-OE1 3.43Å; T276-E279 PolarHBondContact N-OE2 3.3Å; T276-E279 PolarHBondContact O-N 3.44Å; T276-E279 WeakPolarHBondContact OG1-CG 3.3Å; T276-E279 PolarHBondContact OG1-N 3.13Å; T276-E279 PolarHBondContact OG1-OE1 2.78Å; T276-L280 PolarHBondContact O-N 3.4Å |
| 277 | M | 66.4 | Low | 73.6 | Confident | 36 Ų | 36 | 58.1 Ų | 58.1 | 18% | 0.177 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.5 | -26.6 | 176.9 | -164.4 | 60.5 | 71.4 | 0 | 0 | 112.7 | I251 L255 L280 V281 T325 E327 | I251-M277 HydrophobicContact CD1-CE 4.31Å; L255-M277 HydrophobicContact CD1-CB 4.17Å; L255-M277 HydrophobicContact CD1-CE 3.62Å; L255-M277 HydrophobicContact CD1-SD 3.89Å; L255-M277 HydrophobicContact CD2-CE 3.73Å; L255-M277 HydrophobicContact CG-CE 4.35Å; M277-L280 HydrophobicContact SD-CD2 4.42Å; M277-V281 WeakPolarHBondContact O-CG2 3.48Å; M277-V281 PolarHBondContact O-N 2.96Å; M277-T325 WeakPolarHBondContact CE-O 3.42Å; M277-E327 HydrophobicContact CG-CB 3.82Å; M277-E327 HydrophobicContact CG-CG 3.87Å |
| 278 | H | 72.4 | Confident | 74.2 | Confident | 54 Ų | 54 | 51 Ų | 51 | 25% | 0.25 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -72.1 | -40.4 | 178 | -172.9 | 44.6 | 0 | 0 | 0 | 112 | M247 T276 V281 N282 | M247-H278 HydrophobicContact CE-CB 4Å; T276-H278 PolarHBondContact O-N 3.48Å; H278-V281 PolarHBondContact O-N 3.03Å; H278-N282 PolarHBondContact CD2-ND2 3.33Å; H278-N282 PolarHBondContact CE1-ND2 3.49Å; H278-N282 PolarHBondContact CE1-OD1 2.99Å; H278-N282 PolarHBondContact ND1-OD1 3.01Å; H278-N282 PolarHBondContact NE2-ND2 3.44Å; H278-N282 WeakPolarHBondContact O-CB 3.42Å; H278-N282 PolarHBondContact O-N 3.04Å; H278-N282 PolarHBondContact O-ND2 3.43Å; H278-N282 PolarHBondContact O-OD1 3.4Å |
| 279 | E | 75.8 | Confident | 74.2 | Confident | 70 Ų | 70 | 46.3 Ų | 46.3 | 33% | 0.327 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.5 | -48 | 175.5 | -69.6 | 138.4 | -137.6 | 0 | 0 | 111.5 | Y274 S275 T276 V281 N282 H283 | Y274-E279 HydrophobicContact CD1-CB 3.51Å; Y274-E279 HydrophobicContact CE1-CB 4.34Å; Y274-E279 HydrophobicContact CG-CB 4.07Å; S275-E279 WeakPolarHBondContact CA-OE2 3.37Å; S275-E279 WeakPolarHBondContact CB-OE2 3.47Å; S275-E279 PolarHBondContact N-OE2 2.92Å; S275-E279 PolarHBondContact OG-OE1 3.04Å; S275-E279 PolarHBondContact OG-OE2 2.79Å; T276-E279 WeakPolarHBondContact CB-OE1 3.24Å; T276-E279 VanDerWaalsContact CG2-OE1 3.23Å; T276-E279 WeakPolarHBondContact CG2-OE1 3.43Å; T276-E279 PolarHBondContact N-OE2 3.3Å; T276-E279 PolarHBondContact O-N 3.44Å; T276-E279 WeakPolarHBondContact OG1-CG 3.3Å; T276-E279 PolarHBondContact OG1-N 3.13Å; T276-E279 PolarHBondContact OG1-OE1 2.78Å; E279-V281 PolarHBondContact O-N 3.18Å; E279-N282 PolarHBondContact O-N 3.43Å; E279-H283 WeakPolarHBondContact O-CB 3.35Å; E279-H283 PolarHBondContact O-N 2.84Å |
| 280 | L | 77.3 | Confident | 73.6 | Confident | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.2 | -47.6 | 177.2 | 173 | 59.5 | 0 | 0 | 0 | 111.6 | L255 C257 Y274 T276 M277 H283 V284 T325 | L255-L280 HydrophobicContact CB-CD2 4.07Å; C257-L280 HydrophobicContact CB-CD1 3.61Å; Y274-L280 HydrophobicContact CD2-CB 3.85Å; Y274-L280 HydrophobicContact CD2-CD1 3.75Å; Y274-L280 HydrophobicContact CD2-CG 4.38Å; Y274-L280 HydrophobicContact CE2-CD1 4.14Å; Y274-L280 HydrophobicContact CG-CB 4.02Å; T276-L280 PolarHBondContact O-N 3.4Å; M277-L280 HydrophobicContact SD-CD2 4.42Å; L280-H283 PolarHBondContact O-N 2.8Å; L280-V284 HydrophobicContact CD1-CG2 3.96Å; L280-V284 WeakPolarHBondContact O-CG2 3.36Å; L280-V284 PolarHBondContact O-N 3.33Å; L280-T325 HydrophobicContact CD2-CG2 3.78Å; L280-T325 HydrophobicContact CG-CG2 4.12Å |
| 281 | V | 72.1 | Confident | 72.4 | Confident | 6 Ų | 6 | 46.2 Ų | 46.2 | 4% | 0.036 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.5 | -37.7 | -179.9 | 172.7 | 0 | 0 | 0 | 0 | 111.4 | M277 H278 E279 T285 T325 E327 | M277-V281 WeakPolarHBondContact O-CG2 3.48Å; M277-V281 PolarHBondContact O-N 2.96Å; H278-V281 PolarHBondContact O-N 3.03Å; E279-V281 PolarHBondContact O-N 3.18Å; V281-T285 HydrophobicContact CG1-CG2 4.27Å; V281-T285 WeakPolarHBondContact O-CB 3.32Å; V281-T285 VanDerWaalsContact O-CG2 3.24Å; V281-T285 WeakPolarHBondContact O-CG2 3.32Å; V281-T285 PolarHBondContact O-N 2.85Å; V281-T285 PolarHBondContact O-OG1 2.93Å; V281-T325 HydrophobicContact CG2-CG2 4.1Å; V281-E327 HydrophobicContact CG2-CB 4.24Å; V281-E327 HydrophobicContact CG2-CG 4.4Å |
| 282 | N | 76.3 | Confident | 71.3 | Confident | 68 Ų | 68 | 47.9 Ų | 47.9 | 36% | 0.364 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.2 | -47.8 | 175 | -72.1 | -9.9 | 0 | 0 | 0 | 111 | H278 E279 T285 V286 | H278-N282 PolarHBondContact CD2-ND2 3.33Å; H278-N282 PolarHBondContact CE1-ND2 3.49Å; H278-N282 PolarHBondContact CE1-OD1 2.99Å; H278-N282 PolarHBondContact ND1-OD1 3.01Å; H278-N282 PolarHBondContact NE2-ND2 3.44Å; H278-N282 WeakPolarHBondContact O-CB 3.42Å; H278-N282 PolarHBondContact O-N 3.04Å; H278-N282 PolarHBondContact O-ND2 3.43Å; H278-N282 PolarHBondContact O-OD1 3.4Å; E279-N282 PolarHBondContact O-N 3.43Å; N282-T285 PolarHBondContact O-N 2.88Å; N282-T285 PolarHBondContact O-OG1 3.48Å; N282-V286 WeakPolarHBondContact O-CB 3.48Å; N282-V286 VanDerWaalsContact O-CG2 3.27Å; N282-V286 WeakPolarHBondContact O-CG2 3.42Å; N282-V286 PolarHBondContact O-N 3.49Å |
| 283 | H | 81.6 | Confident | 69.9 | Low | 12 Ų | 12 | 52.4 Ų | 52.4 | 6% | 0.056 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -56 | -54.1 | 176.5 | 153.8 | 58.2 | 0 | 0 | 0 | 111.4 | C270 Y274 E279 L280 T285 V286 E287 H288 | C270-H283 PolarHBondContact SG-CE1 2.85Å; C270-H283 PolarHBondContact SG-NE2 3.46Å; Y274-H283 HydrophobicContact CE1-CB 4.1Å; Y274-H283 HydrophobicContact CE2-CB 4.05Å; Y274-H283 AromaticContact CE2-CD2 3.35Å; Y274-H283 WeakPolarHBondContact CE2-CD2 3.38Å; Y274-H283 AromaticContact CE2-CG 3.82Å; Y274-H283 AromaticContact CZ-CD2 3.59Å; Y274-H283 AromaticContact CZ-CG 3.54Å; Y274-H283 WeakPolarHBondContact OH-CB 3.44Å; Y274-H283 PolarHBondContact OH-CD2 3.29Å; Y274-H283 VanDerWaalsContact OH-CD2 3.3Å; Y274-H283 PolarHBondContact OH-ND1 3.29Å; E279-H283 WeakPolarHBondContact O-CB 3.35Å; E279-H283 PolarHBondContact O-N 2.84Å; L280-H283 PolarHBondContact O-N 2.8Å; H283-T285 VanDerWaalsContact C-N 3.29Å; H283-T285 PolarHBondContact O-N 2.68Å; H283-V286 PolarHBondContact O-N 3.43Å; H283-E287 IonicContact CE1-OE2 3.09Å; H283-E287 PolarHBondContact CE1-OE2 3.04Å; H283-E287 IonicContact CG-OE2 3.33Å; H283-E287 IonicContact ND1-OE2 3.31Å; H283-E287 PolarHBondContact ND1-OE2 3.02Å; H283-E287 WeakPolarHBondContact O-CB 3.5Å; H283-E287 PolarHBondContact O-N 3Å; H283-H288 AromaticContact CE1-CD2 3.85Å; H283-H288 AromaticContact CE1-CE1 3.71Å; H283-H288 AromaticContact CE1-NE2 3.2Å; H283-H288 PolarHBondContact CE1-NE2 3.09Å; H283-H288 AromaticContact NE2-CD2 3.76Å; H283-H288 AromaticContact NE2-NE2 3.13Å; H283-H288 PolarHBondContact NE2-NE2 3.04Å; H283-H288 VanDerWaalsContact NE2-NE2 3.13Å |
| 284 | V | 75.8 | Confident | 68.9 | Low | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.296 | C | S | . | . | I | π-helix | trans | -60.1 | -40.4 | -179.2 | 177.5 | 0 | 0 | 0 | 0 | 111.2 | W259 L280 H288 V289 W301 I321 | W259-V284 HydrophobicContact CD2-CG1 4.4Å; W259-V284 HydrophobicContact CE3-CG1 3.58Å; W259-V284 HydrophobicContact CZ3-CG1 3.75Å; L280-V284 HydrophobicContact CD1-CG2 3.96Å; L280-V284 WeakPolarHBondContact O-CG2 3.36Å; L280-V284 PolarHBondContact O-N 3.33Å; V284-H288 PolarHBondContact O-N 3.25Å; V284-V289 WeakPolarHBondContact O-CG2 3.21Å; V284-V289 PolarHBondContact O-N 3.35Å; V284-W301 HydrophobicContact CG2-CZ3 4.31Å; V284-I321 HydrophobicContact CG1-CD1 3.75Å; V284-I321 HydrophobicContact CG1-CG1 4.32Å; V284-I321 HydrophobicContact CG1-CG2 4.12Å |
| 285 | T | 74.1 | Confident | 67.8 | Low | 21 Ų | 21 | 56 Ų | 56 | 13% | 0.129 | 33% | 0.329 | C | S | . | . | I | π-helix | trans | -83.2 | -14.8 | -174.1 | 59.3 | 0 | 0 | 0 | 0 | 115.3 | V281 N282 H283 K314 I318 I321 | V281-T285 HydrophobicContact CG1-CG2 4.27Å; V281-T285 WeakPolarHBondContact O-CB 3.32Å; V281-T285 VanDerWaalsContact O-CG2 3.24Å; V281-T285 WeakPolarHBondContact O-CG2 3.32Å; V281-T285 PolarHBondContact O-N 2.85Å; V281-T285 PolarHBondContact O-OG1 2.93Å; N282-T285 PolarHBondContact O-N 2.88Å; N282-T285 PolarHBondContact O-OG1 3.48Å; H283-T285 VanDerWaalsContact C-N 3.29Å; H283-T285 PolarHBondContact O-N 2.68Å; T285-K314 PolarHBondContact O-NZ 3.41Å; T285-I318 HydrophobicContact CG2-CB 4.41Å; T285-I318 HydrophobicContact CG2-CD1 4.32Å; T285-I318 HydrophobicContact CG2-CG1 3.74Å; T285-I318 HydrophobicContact CG2-CG2 4.18Å; T285-I321 HydrophobicContact CG2-CD1 4.34Å |
| 286 | V | 75.3 | Confident | 67.7 | Low | 102 Ų | 102 | 55.4 Ų | 55.4 | 62% | 0.618 | 33% | 0.325 | S | S | * | . | I | π-helix | trans | -95.4 | -49.8 | 172.8 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | N282 H283 G290 | N282-V286 WeakPolarHBondContact O-CB 3.48Å; N282-V286 VanDerWaalsContact O-CG2 3.27Å; N282-V286 WeakPolarHBondContact O-CG2 3.42Å; N282-V286 PolarHBondContact O-N 3.49Å; H283-V286 PolarHBondContact O-N 3.43Å; V286-G290 VanDerWaalsContact O-CA 3.3Å; V286-G290 WeakPolarHBondContact O-CA 3.32Å |
| 287 | E | 72.4 | Confident | 67.7 | Low | 110 Ų | 110 | 55.6 Ų | 55.6 | 51% | 0.514 | 33% | 0.325 | S | S | . | . | I | π-helix | trans | -91 | -42.6 | -167.8 | -55.9 | -160.3 | 130.5 | 0 | 0 | 113 | K272 H283 | K272-E287 IonicContact NZ-OE1 2.76Å; K272-E287 IonicContact NZ-OE2 3.26Å; K272-E287 PolarHBondContact NZ-OE2 3.48Å; H283-E287 IonicContact CE1-OE2 3.09Å; H283-E287 PolarHBondContact CE1-OE2 3.04Å; H283-E287 IonicContact CG-OE2 3.33Å; H283-E287 IonicContact ND1-OE2 3.31Å; H283-E287 PolarHBondContact ND1-OE2 3.02Å; H283-E287 WeakPolarHBondContact O-CB 3.5Å; H283-E287 PolarHBondContact O-N 3Å |
| 288 | H | 73.2 | Confident | 67.9 | Low | 20 Ų | 20 | 54.9 Ų | 54.9 | 9% | 0.093 | 32% | 0.323 | C | S | . | . | I | π-helix | trans | -91.4 | -31.6 | -179.9 | -56.9 | -44.2 | 0 | 0 | 0 | 113.5 | W259 E261 C270 H283 V284 G290 | W259-H288 VanDerWaalsContact CB-CD2 3.42Å; W259-H288 WeakPolarHBondContact CB-CD2 3.44Å; W259-H288 AromaticContact CD1-CD2 3.71Å; W259-H288 AromaticContact CD1-CG 3.49Å; W259-H288 VanDerWaalsContact CD1-CG 3.49Å; W259-H288 AromaticContact CD1-ND1 3.77Å; W259-H288 HydrophobicContact CD2-CB 3.78Å; W259-H288 AromaticContact CD2-CD2 3.92Å; W259-H288 AromaticContact CD2-CG 4Å; W259-H288 HydrophobicContact CE3-CB 4.47Å; W259-H288 HydrophobicContact CG-CB 3.91Å; W259-H288 AromaticContact CG-CD2 3.37Å; W259-H288 AromaticContact CG-CG 3.59Å; W259-H288 AromaticContact CG-NE2 3.9Å; W259-H288 HydrophobicContact CZ2-CB 4.09Å; W259-H288 AromaticContact NE1-CG 3.86Å; E261-H288 IonicContact OE1-CE1 2.86Å; E261-H288 PolarHBondContact OE1-CE1 2.94Å; E261-H288 IonicContact OE1-ND1 2.67Å; E261-H288 PolarHBondContact OE1-ND1 3.28Å; C270-H288 VanDerWaalsContact CB-CE1 3.47Å; C270-H288 WeakPolarHBondContact CB-CE1 3.34Å; C270-H288 VanDerWaalsContact CB-NE2 3.35Å; C270-H288 WeakPolarHBondContact CB-NE2 3.33Å; C270-H288 PolarHBondContact SG-CE1 3.4Å; C270-H288 PolarHBondContact SG-NE2 3.44Å; H283-H288 AromaticContact CE1-CD2 3.85Å; H283-H288 AromaticContact CE1-CE1 3.71Å; H283-H288 AromaticContact CE1-NE2 3.2Å; H283-H288 PolarHBondContact CE1-NE2 3.09Å; H283-H288 AromaticContact NE2-CD2 3.76Å; H283-H288 AromaticContact NE2-NE2 3.13Å; H283-H288 PolarHBondContact NE2-NE2 3.04Å; H283-H288 VanDerWaalsContact NE2-NE2 3.13Å; V284-H288 PolarHBondContact O-N 3.25Å; H288-G290 VanDerWaalsContact C-N 3.31Å |
| 289 | V | 69.9 | Low | 68.1 | Low | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.012 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -99.3 | 35.1 | 174.2 | -164.4 | 0 | 0 | 0 | 0 | 110.5 | W259 V284 K314 L317 I321 | W259-V289 HydrophobicContact CH2-CG2 4.04Å; V284-V289 WeakPolarHBondContact O-CG2 3.21Å; V284-V289 PolarHBondContact O-N 3.35Å; V289-K314 HydrophobicContact CG1-CD 4.07Å; V289-K314 HydrophobicContact CG1-CG 3.98Å; V289-K314 WeakPolarHBondContact O-CE 3.27Å; V289-K314 PolarHBondContact O-NZ 3.18Å; V289-L317 HydrophobicContact CB-CD2 4.44Å; V289-L317 HydrophobicContact CG1-CD2 3.71Å; V289-L317 HydrophobicContact CG2-CD2 3.75Å; V289-L317 HydrophobicContact CG2-CG 4.37Å; V289-I321 HydrophobicContact CG2-CD1 3.97Å |
| 290 | G | 60.8 | Low | 67.8 | Low | 22 Ų | 22 | 51.6 Ų | 51.6 | 23% | 0.227 | 31% | 0.307 | C | S | . | . | trans | -62.2 | 148.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | V286 H288 | V286-G290 VanDerWaalsContact O-CA 3.3Å; V286-G290 WeakPolarHBondContact O-CA 3.32Å; H288-G290 VanDerWaalsContact C-N 3.31Å | ||
| 291 | G | 52.5 | Low | 67.7 | Low | 42 Ų | 42 | 52.1 Ų | 52.1 | 43% | 0.433 | 31% | 0.308 | S | S | . | . | trans | 76.6 | 157.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 292 | P | 50.4 | Low | 67.4 | Low | 124 Ų | 124 | 55.8 Ų | 55.8 | 81% | 0.805 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -88 | -9.9 | 167.3 | 34.5 | -32.2 | 0 | 0 | 0 | 113.2 | ||
| 293 | E | 50.3 | Low | 67 | Low | 183 Ų | 183 | 59 Ų | 59 | 86% | 0.855 | 34% | 0.338 | S | S | * | . | trans | -90.3 | -10.3 | -166.6 | -56.9 | -177.8 | 146.9 | 0 | 0 | 114.1 | A295 | E293-A295 PolarHBondContact O-N 3.35Š| ||
| 294 | Q | 54.8 | Low | 66.7 | Low | 95 Ų | 95 | 59 Ų | 59 | 44% | 0.444 | 34% | 0.339 | S | S | . | . | trans | -72.9 | 97.8 | 175.4 | -66.5 | -173.4 | 2.2 | 0 | 0 | 110.9 | S296 H297 | Q294-S296 PolarHBondContact O-N 3.04Å; Q294-H297 PolarHBondContact O-CE1 2.88Å; Q294-H297 PolarHBondContact O-ND1 3.5Å | ||
| 295 | A | 54.4 | Low | 66.2 | Low | 107 Ų | 107 | 63.5 Ų | 63.5 | 88% | 0.884 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -60.7 | -15.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | E293 | E293-A295 PolarHBondContact O-N 3.35Š|
| 296 | S | 64.1 | Low | 65.6 | Low | 68 Ų | 68 | 68.5 Ų | 68.5 | 48% | 0.476 | 39% | 0.385 | S | S | . | . | trans | -125.4 | 114.3 | 173.8 | 68.1 | 0 | 0 | 0 | 0 | 110.9 | Q294 V298 | Q294-S296 PolarHBondContact O-N 3.04Å; S296-V298 PolarHBondContact O-N 3.25Å | ||
| 297 | H | 71.3 | Confident | 64.7 | Low | 21 Ų | 21 | 67 Ų | 67 | 10% | 0.097 | 37% | 0.371 | C | S | . | . | B | Isolated β-bridge | trans | -95.1 | 93.4 | 177.5 | -51.4 | -66.2 | 0 | 0 | 0 | 109.4 | Q294 F311 K314 L317 | Q294-H297 PolarHBondContact O-CE1 2.88Å; Q294-H297 PolarHBondContact O-ND1 3.5Å; H297-F311 HydrophobicContact CB-CB 4.39Å; H297-F311 PolarHBondContact CD2-O 3.23Å; H297-F311 WeakPolarHBondContact O-CB 3.37Å; H297-F311 WeakPolarHBondContact O-CD2 3.33Å; H297-F311 PolarHBondContact O-N 2.97Å; H297-K314 PolarHBondContact CD2-N 3.26Å; H297-K314 PolarHBondContact NE2-N 3.35Å; H297-L317 HydrophobicContact CB-CB 4.14Å; H297-L317 HydrophobicContact CB-CD2 3.75Å |
| 298 | V | 70.9 | Confident | 63.9 | Low | 22 Ų | 22 | 64.5 Ų | 64.5 | 13% | 0.133 | 37% | 0.374 | C | S | . | . | trans | -90.3 | 152.2 | -177.7 | -177.2 | 0 | 0 | 0 | 0 | 110.8 | W259 S296 F300 A310 L317 | W259-V298 WeakPolarHBondContact CH2-O 3.23Å; S296-V298 PolarHBondContact O-N 3.25Å; V298-F300 HydrophobicContact CB-CD2 4.39Å; V298-F300 HydrophobicContact CB-CE1 4.25Å; V298-F300 HydrophobicContact CB-CE2 3.74Å; V298-F300 HydrophobicContact CB-CZ 3.67Å; V298-F300 HydrophobicContact CG1-CD1 3.98Å; V298-F300 HydrophobicContact CG1-CD2 4.3Å; V298-F300 HydrophobicContact CG1-CE1 3.53Å; V298-F300 HydrophobicContact CG1-CE2 3.89Å; V298-F300 HydrophobicContact CG1-CG 4.36Å; V298-F300 HydrophobicContact CG1-CZ 3.49Å; V298-F300 VanDerWaalsContact CG1-CZ 3.49Å; V298-F300 HydrophobicContact CG2-CZ 4.37Å; V298-A310 HydrophobicContact CG2-CB 4.03Å; V298-L317 VanDerWaalsContact O-CD2 3.23Å; V298-L317 WeakPolarHBondContact O-CD2 3.45Å | ||
| 299 | C | 76.6 | Confident | 63.4 | Low | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 40% | 0.399 | C | S | . | . | trans | -98.7 | 131.9 | 165.9 | -163.7 | 0 | 0 | 0 | 0 | 108.9 | E307 F311 L317 | C299-E307 VanDerWaalsContact O-OE1 3.11Å; C299-F311 HydrophobicContact CB-CE2 4.32Å; C299-L317 HydrophobicContact CB-CD1 3.69Å | ||
| 300 | F | 68.8 | Low | 63.3 | Low | 55 Ų | 55 | 73 Ų | 73 | 24% | 0.241 | 42% | 0.422 | C | S | . | . | trans | -126.4 | 62.6 | 177.6 | -59.2 | -70.7 | 0 | 0 | 0 | 109.3 | W259 I260 Q262 V298 E307 | W259-F300 CarbonylContact C-O 3.58Å; W259-F300 WeakPolarHBondContact CA-O 3.44Å; W259-F300 HydrophobicContact CZ2-CB 4.2Å; W259-F300 AromaticContact CZ2-CD2 3.82Å; W259-F300 HydrophobicContact CZ2-CD2 3.82Å; W259-F300 HydrophobicContact CZ2-CG 4.47Å; W259-F300 AromaticContact NE1-CD2 3.97Å; I260-F300 HydrophobicContact CB-CB 4.37Å; I260-F300 PolarHBondContact N-O 3.01Å; I260-F300 WeakPolarHBondContact O-CB 3.32Å; Q262-F300 VanDerWaalsContact OE1-CZ 3.29Å; V298-F300 HydrophobicContact CB-CD2 4.39Å; V298-F300 HydrophobicContact CB-CE1 4.25Å; V298-F300 HydrophobicContact CB-CE2 3.74Å; V298-F300 HydrophobicContact CB-CZ 3.67Å; V298-F300 HydrophobicContact CG1-CD1 3.98Å; V298-F300 HydrophobicContact CG1-CD2 4.3Å; V298-F300 HydrophobicContact CG1-CE1 3.53Å; V298-F300 HydrophobicContact CG1-CE2 3.89Å; V298-F300 HydrophobicContact CG1-CG 4.36Å; V298-F300 HydrophobicContact CG1-CZ 3.49Å; V298-F300 VanDerWaalsContact CG1-CZ 3.49Å; V298-F300 HydrophobicContact CG2-CZ 4.37Å; F300-E307 WeakPolarHBondContact CA-OE1 3.43Å; F300-E307 WeakPolarHBondContact CA-OE2 2.93Å | ||
| 301 | W | 76.2 | Confident | 63.8 | Low | 14 Ų | 14 | 73.1 Ų | 73.1 | 5% | 0.053 | 42% | 0.416 | C | S | . | . | B | Isolated β-bridge | trans | -111.4 | 124.3 | -178 | -170.1 | -75.5 | 0 | 0 | 0 | 109 | K258 W259 V284 E303 C304 E307 H324 T325 | K258-W301 HydrophobicContact CB-CD2 4.14Å; K258-W301 HydrophobicContact CB-CH2 4.41Å; K258-W301 HydrophobicContact CB-CZ2 3.8Å; K258-W301 WeakPolarHBondContact O-CA 3.43Å; W259-W301 HydrophobicContact CE3-CE3 4.22Å; V284-W301 HydrophobicContact CG2-CZ3 4.31Å; W301-E303 PolarHBondContact O-N 2.9Å; W301-C304 HydrophobicContact CB-CB 4.26Å; W301-C304 VanDerWaalsContact O-CB 3.24Å; W301-C304 WeakPolarHBondContact O-CB 3.42Å; W301-C304 PolarHBondContact O-N 3.12Å; W301-E307 PolarHBondContact N-OE1 3.09Å; W301-E307 VanDerWaalsContact O-OE1 3.11Å; W301-H324 AromaticContact CD1-CE1 3.34Å; W301-H324 AromaticContact CD1-CG 3.69Å; W301-H324 AromaticContact CD1-ND1 3.47Å; W301-H324 HydrophobicContact CD2-CB 3.82Å; W301-H324 AromaticContact CD2-CG 3.88Å; W301-H324 AromaticContact CE2-CG 3.98Å; W301-H324 HydrophobicContact CE3-CB 4.38Å; W301-H324 HydrophobicContact CG-CB 4.16Å; W301-H324 AromaticContact CG-CD2 3.92Å; W301-H324 AromaticContact CG-CG 3.71Å; W301-H324 AromaticContact CG-ND1 3.86Å; W301-H324 HydrophobicContact CH2-CB 4.47Å; W301-H324 HydrophobicContact CZ2-CB 3.9Å; W301-H324 AromaticContact NE1-CE1 3.53Å; W301-H324 AromaticContact NE1-CG 3.85Å; W301-H324 AromaticContact NE1-ND1 3.84Å; W301-T325 HydrophobicContact CH2-CG2 4.34Å |
| 302 | E | 65.6 | Low | 64.8 | Low | 84 Ų | 84 | 81.6 Ų | 81.6 | 39% | 0.393 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -42.6 | -33.7 | -162.4 | -68.5 | 179.9 | 143 | 0 | 0 | 117 | K258 I260 | K258-E302 HydrophobicContact CB-CG 4.22Å; K258-E302 WeakPolarHBondContact CG-OE2 3.1Å; K258-E302 IonicContact NZ-OE2 2.72Å; K258-E302 PolarHBondContact NZ-OE2 3.2Å; K258-E302 PolarHBondContact O-N 3.21Å; K258-E302 VanDerWaalsContact O-N 3.15Å; I260-E302 HydrophobicContact CD1-CG 4.09Å; I260-E302 HydrophobicContact CG1-CG 3.93Å |
| 303 | E | 69 | Low | 66 | Low | 135 Ų | 135 | 76.9 Ų | 76.9 | 63% | 0.631 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114 | 21.2 | -174.5 | -65 | 164.1 | -125.5 | 0 | 0 | 113.2 | K258 W301 P305 | K258-E303 IonicContact NZ-OE1 3.49Å; K258-E303 PolarHBondContact NZ-OE1 3.29Å; W301-E303 PolarHBondContact O-N 2.9Å; E303-P305 WeakPolarHBondContact O-CD 3.42Å |
| 304 | C | 74.9 | Confident | 67 | Low | 12 Ų | 12 | 71.2 Ų | 71.2 | 8% | 0.081 | 39% | 0.385 | C | S | . | . | trans | -80 | 128.2 | -171.9 | -169.2 | 0 | 0 | 0 | 0 | 114.2 | W301 R306 E307 H320 H324 | W301-C304 HydrophobicContact CB-CB 4.26Å; W301-C304 VanDerWaalsContact O-CB 3.24Å; W301-C304 WeakPolarHBondContact O-CB 3.42Å; W301-C304 PolarHBondContact O-N 3.12Å; C304-R306 PolarHBondContact O-N 2.92Å; C304-R306 PolarHBondContact SG-N 3.04Å; C304-E307 HydrophobicContact CB-CG 4.05Å; C304-E307 VanDerWaalsContact CB-OE1 3.27Å; C304-E307 WeakPolarHBondContact CB-OE1 2.95Å; C304-E307 PolarHBondContact O-N 3.14Å; C304-H320 PolarHBondContact SG-CE1 3.03Å; C304-H320 PolarHBondContact SG-NE2 3.04Å; C304-H324 WeakPolarHBondContact CA-NE2 3Å; C304-H324 WeakPolarHBondContact CB-NE2 3.37Å; C304-H324 PolarHBondContact SG-NE2 2.82Å | ||
| 305 | P | 65.5 | Low | 67.9 | Low | 94 Ų | 94 | 73 Ų | 73 | 61% | 0.61 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | 14.5 | 168.6 | -20.4 | 34.2 | 0 | 0 | 0 | 115.1 | E303 | E303-P305 WeakPolarHBondContact O-CD 3.42Š|
| 306 | R | 61 | Low | 69 | Low | 126 Ų | 126 | 73 Ų | 73 | 48% | 0.475 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139.3 | 15 | -178.8 | -59.6 | -175.3 | 173.8 | -136.1 | -2.5 | 113.6 | C304 G308 K309 F311 | C304-R306 PolarHBondContact O-N 2.92Å; C304-R306 PolarHBondContact SG-N 3.04Å; R306-G308 PolarHBondContact O-N 3.2Å; R306-K309 HydrophobicContact CB-CB 4.43Å; R306-K309 WeakPolarHBondContact O-CB 3.27Å; R306-K309 PolarHBondContact O-N 3.46Å; R306-F311 VanDerWaalsContact NH1-CE1 3.31Å |
| 307 | E | 56.3 | Low | 69.6 | Low | 72 Ų | 72 | 69.8 Ų | 69.8 | 34% | 0.336 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.8 | 130.8 | 174.5 | -73.2 | -57.8 | 92.3 | 0 | 0 | 111 | C299 F300 W301 C304 K309 | C299-E307 VanDerWaalsContact O-OE1 3.11Å; F300-E307 WeakPolarHBondContact CA-OE1 3.43Å; F300-E307 WeakPolarHBondContact CA-OE2 2.93Å; W301-E307 PolarHBondContact N-OE1 3.09Å; W301-E307 VanDerWaalsContact O-OE1 3.11Å; C304-E307 HydrophobicContact CB-CG 4.05Å; C304-E307 VanDerWaalsContact CB-OE1 3.27Å; C304-E307 WeakPolarHBondContact CB-OE1 2.95Å; C304-E307 PolarHBondContact O-N 3.14Å; E307-K309 VanDerWaalsContact C-N 3.31Å; E307-K309 PolarHBondContact O-N 3.01Å |
| 308 | G | 55.4 | Low | 69.7 | Low | 56 Ų | 56 | 70.8 Ų | 70.8 | 58% | 0.577 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.9 | -2.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | R306 | R306-G308 PolarHBondContact O-N 3.2Š|
| 309 | K | 61.8 | Low | 70 | Confident | 141 Ų | 141 | 72 Ų | 72 | 61% | 0.613 | 36% | 0.358 | S | S | * | . | trans | -92.5 | 107.5 | 179.8 | -68 | -178.6 | 179.4 | 171.8 | 0 | 112.1 | R306 E307 F311 | R306-K309 HydrophobicContact CB-CB 4.43Å; R306-K309 WeakPolarHBondContact O-CB 3.27Å; R306-K309 PolarHBondContact O-N 3.46Å; E307-K309 VanDerWaalsContact C-N 3.31Å; E307-K309 PolarHBondContact O-N 3.01Å; K309-F311 WeakPolarHBondContact O-CD2 3.36Å | ||
| 310 | A | 68.7 | Low | 70.2 | Confident | 61 Ų | 61 | 72.8 Ų | 72.8 | 50% | 0.504 | 36% | 0.362 | S | S | . | . | trans | -62.7 | 135.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | V298 | V298-A310 HydrophobicContact CG2-CB 4.03Š| ||
| 311 | F | 71.2 | Confident | 70.4 | Confident | 23 Ų | 23 | 70.2 Ų | 70.2 | 10% | 0.101 | 35% | 0.35 | C | S | . | . | B | Isolated β-bridge | trans | -94.6 | 129.1 | 171.4 | -70.4 | -101.1 | 0 | 0 | 0 | 110 | H297 C299 R306 K309 A313 K316 L317 H320 | H297-F311 HydrophobicContact CB-CB 4.39Å; H297-F311 PolarHBondContact CD2-O 3.23Å; H297-F311 WeakPolarHBondContact O-CB 3.37Å; H297-F311 WeakPolarHBondContact O-CD2 3.33Å; H297-F311 PolarHBondContact O-N 2.97Å; C299-F311 HydrophobicContact CB-CE2 4.32Å; R306-F311 VanDerWaalsContact NH1-CE1 3.31Å; K309-F311 WeakPolarHBondContact O-CD2 3.36Å; F311-A313 PolarHBondContact O-N 2.04Å; F311-K316 HydrophobicContact CB-CB 4.23Å; F311-K316 HydrophobicContact CD1-CB 3.77Å; F311-K316 HydrophobicContact CG-CB 4.44Å; F311-L317 HydrophobicContact CB-CB 4.25Å; F311-L317 HydrophobicContact CD2-CB 4.3Å; F311-L317 HydrophobicContact CD2-CD1 4.02Å; F311-L317 HydrophobicContact CE2-CD1 4.13Å; F311-L317 HydrophobicContact CG-CB 4.24Å; F311-H320 HydrophobicContact CE1-CB 3.87Å; F311-H320 HydrophobicContact CE2-CB 4.48Å; F311-H320 AromaticContact CE2-CD2 3.34Å; F311-H320 WeakPolarHBondContact CE2-CD2 3.2Å; F311-H320 HydrophobicContact CZ-CB 3.71Å; F311-H320 AromaticContact CZ-CD2 3.07Å; F311-H320 WeakPolarHBondContact CZ-CD2 3.24Å; F311-H320 AromaticContact CZ-CG 3.47Å; F311-H320 VanDerWaalsContact CZ-CG 3.47Å; F311-H320 AromaticContact CZ-NE2 3.82Å |
| 312 | K | 73.1 | Confident | 70.6 | Confident | 220 Ų | 220 | 71.4 Ų | 71.4 | 96% | 0.957 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -60.9 | -2.2 | -180 | -62.6 | -165.5 | 176.7 | -169.7 | 0 | 116 | ||
| 313 | A | 76.1 | Confident | 71.1 | Confident | 25 Ų | 25 | 72.5 Ų | 72.5 | 21% | 0.207 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -164.2 | 141.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F311 Y315 K316 L317 | F311-A313 PolarHBondContact O-N 2.04Å; A313-Y315 VanDerWaalsContact C-N 3.27Å; A313-Y315 HydrophobicContact CB-CD1 3.59Å; A313-Y315 HydrophobicContact CB-CE1 3.5Å; A313-Y315 PolarHBondContact O-N 3.29Å; A313-Y315 VanDerWaalsContact O-N 3.15Å; A313-K316 HydrophobicContact CB-CG 4.34Å; A313-K316 WeakPolarHBondContact O-CB 3.43Å; A313-K316 PolarHBondContact O-N 3.26Å; A313-L317 PolarHBondContact O-N 3.3Å |
| 314 | K | 72.3 | Confident | 71.4 | Confident | 64 Ų | 64 | 68.7 Ų | 68.7 | 28% | 0.278 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -50.4 | -43.1 | -177.9 | -179.7 | 160.8 | 177.4 | 164.5 | 0 | 112.9 | T285 V289 H297 K316 L317 I318 | T285-K314 PolarHBondContact O-NZ 3.41Å; V289-K314 HydrophobicContact CG1-CD 4.07Å; V289-K314 HydrophobicContact CG1-CG 3.98Å; V289-K314 WeakPolarHBondContact O-CE 3.27Å; V289-K314 PolarHBondContact O-NZ 3.18Å; H297-K314 PolarHBondContact CD2-N 3.26Å; H297-K314 PolarHBondContact NE2-N 3.35Å; K314-K316 PolarHBondContact O-N 2.84Å; K314-L317 PolarHBondContact O-N 3.47Å; K314-L317 VanDerWaalsContact O-N 3.13Å; K314-I318 HydrophobicContact CG-CD1 3.86Å; K314-I318 HydrophobicContact CG-CG1 4.29Å; K314-I318 WeakPolarHBondContact O-CG1 3.07Å; K314-I318 PolarHBondContact O-N 3.39Å |
| 315 | Y | 73.6 | Confident | 71.2 | Confident | 134 Ų | 134 | 68.8 Ų | 68.8 | 53% | 0.525 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.3 | -25.8 | 178.9 | 82.5 | -89.6 | 0 | 0 | 0 | 113.9 | A313 N319 | A313-Y315 VanDerWaalsContact C-N 3.27Å; A313-Y315 HydrophobicContact CB-CD1 3.59Å; A313-Y315 HydrophobicContact CB-CE1 3.5Å; A313-Y315 PolarHBondContact O-N 3.29Å; A313-Y315 VanDerWaalsContact O-N 3.15Å; Y315-N319 WeakPolarHBondContact O-CB 3.46Å; Y315-N319 PolarHBondContact O-N 2.87Å; Y315-N319 VanDerWaalsContact O-N 3.12Å; Y315-N319 PolarHBondContact O-ND2 3.18Å |
| 316 | K | 77.2 | Confident | 71.5 | Confident | 105 Ų | 105 | 66 Ų | 66 | 46% | 0.457 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -73.5 | -40.6 | 174.6 | -60.7 | -68.6 | -158 | -151.1 | 0 | 110.9 | F311 A313 K314 N319 H320 | F311-K316 HydrophobicContact CB-CB 4.23Å; F311-K316 HydrophobicContact CD1-CB 3.77Å; F311-K316 HydrophobicContact CG-CB 4.44Å; A313-K316 HydrophobicContact CB-CG 4.34Å; A313-K316 WeakPolarHBondContact O-CB 3.43Å; A313-K316 PolarHBondContact O-N 3.26Å; K314-K316 PolarHBondContact O-N 2.84Å; K316-N319 PolarHBondContact O-N 2.9Å; K316-H320 WeakPolarHBondContact O-CB 3.44Å; K316-H320 PolarHBondContact O-N 3.35Å |
| 317 | L | 75.3 | Confident | 72.1 | Confident | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.5 | -45 | 173.7 | 177.1 | 58.8 | 0 | 0 | 0 | 111.2 | W259 V289 H297 V298 C299 F311 A313 K314 N319 H320 I321 | W259-L317 HydrophobicContact CH2-CD1 4.49Å; W259-L317 HydrophobicContact CH2-CD2 4.36Å; V289-L317 HydrophobicContact CB-CD2 4.44Å; V289-L317 HydrophobicContact CG1-CD2 3.71Å; V289-L317 HydrophobicContact CG2-CD2 3.75Å; V289-L317 HydrophobicContact CG2-CG 4.37Å; H297-L317 HydrophobicContact CB-CB 4.14Å; H297-L317 HydrophobicContact CB-CD2 3.75Å; V298-L317 VanDerWaalsContact O-CD2 3.23Å; V298-L317 WeakPolarHBondContact O-CD2 3.45Å; C299-L317 HydrophobicContact CB-CD1 3.69Å; F311-L317 HydrophobicContact CB-CB 4.25Å; F311-L317 HydrophobicContact CD2-CB 4.3Å; F311-L317 HydrophobicContact CD2-CD1 4.02Å; F311-L317 HydrophobicContact CE2-CD1 4.13Å; F311-L317 HydrophobicContact CG-CB 4.24Å; A313-L317 PolarHBondContact O-N 3.3Å; K314-L317 PolarHBondContact O-N 3.47Å; K314-L317 VanDerWaalsContact O-N 3.13Å; L317-N319 VanDerWaalsContact C-N 3.33Å; L317-N319 PolarHBondContact O-N 2.83Å; L317-H320 CarbonylContact O-C 3.54Å; L317-H320 WeakPolarHBondContact O-CA 3.23Å; L317-H320 WeakPolarHBondContact O-CB 3.34Å; L317-H320 PolarHBondContact O-N 2.65Å; L317-I321 HydrophobicContact CD1-CD1 4.16Å; L317-I321 HydrophobicContact CD1-CG1 4.22Å; L317-I321 HydrophobicContact CG-CD1 3.91Å; L317-I321 HydrophobicContact CG-CG1 4.47Å; L317-I321 WeakPolarHBondContact O-CG1 3.3Å; L317-I321 PolarHBondContact O-N 3.05Å |
| 318 | I | 74.2 | Confident | 73.1 | Confident | 41 Ų | 41 | 61.4 Ų | 61.4 | 21% | 0.21 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -56.2 | -46.4 | 174.5 | -64 | 173.6 | 0 | 0 | 0 | 111.2 | T285 K314 H320 I321 R322 | T285-I318 HydrophobicContact CG2-CB 4.41Å; T285-I318 HydrophobicContact CG2-CD1 4.32Å; T285-I318 HydrophobicContact CG2-CG1 3.74Å; T285-I318 HydrophobicContact CG2-CG2 4.18Å; K314-I318 HydrophobicContact CG-CD1 3.86Å; K314-I318 HydrophobicContact CG-CG1 4.29Å; K314-I318 WeakPolarHBondContact O-CG1 3.07Å; K314-I318 PolarHBondContact O-N 3.39Å; I318-H320 PolarHBondContact O-N 2.91Å; I318-I321 PolarHBondContact O-N 2.67Å; I318-R322 PolarHBondContact O-N 3.43Å |
| 319 | N | 76.4 | Confident | 74.2 | Confident | 47 Ų | 47 | 59.4 Ų | 59.4 | 25% | 0.251 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -69.7 | -15.8 | 176.2 | -79.1 | -73.1 | 0 | 0 | 0 | 114 | Y315 K316 L317 R322 | Y315-N319 WeakPolarHBondContact O-CB 3.46Å; Y315-N319 PolarHBondContact O-N 2.87Å; Y315-N319 VanDerWaalsContact O-N 3.12Å; Y315-N319 PolarHBondContact O-ND2 3.18Å; K316-N319 PolarHBondContact O-N 2.9Å; L317-N319 VanDerWaalsContact C-N 3.33Å; L317-N319 PolarHBondContact O-N 2.83Å; N319-R322 PolarHBondContact OD1-NH1 3.47Å |
| 320 | H | 81.1 | Confident | 75 | Confident | 18 Ų | 18 | 55.1 Ų | 55.1 | 8% | 0.083 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -85.7 | -39.5 | 172.8 | 169.9 | 35.5 | 0 | 0 | 0 | 112.2 | C304 F311 K316 L317 I318 R322 V323 | C304-H320 PolarHBondContact SG-CE1 3.03Å; C304-H320 PolarHBondContact SG-NE2 3.04Å; F311-H320 HydrophobicContact CE1-CB 3.87Å; F311-H320 HydrophobicContact CE2-CB 4.48Å; F311-H320 AromaticContact CE2-CD2 3.34Å; F311-H320 WeakPolarHBondContact CE2-CD2 3.2Å; F311-H320 HydrophobicContact CZ-CB 3.71Å; F311-H320 AromaticContact CZ-CD2 3.07Å; F311-H320 WeakPolarHBondContact CZ-CD2 3.24Å; F311-H320 AromaticContact CZ-CG 3.47Å; F311-H320 VanDerWaalsContact CZ-CG 3.47Å; F311-H320 AromaticContact CZ-NE2 3.82Å; K316-H320 WeakPolarHBondContact O-CB 3.44Å; K316-H320 PolarHBondContact O-N 3.35Å; L317-H320 CarbonylContact O-C 3.54Å; L317-H320 WeakPolarHBondContact O-CA 3.23Å; L317-H320 WeakPolarHBondContact O-CB 3.34Å; L317-H320 PolarHBondContact O-N 2.65Å; I318-H320 PolarHBondContact O-N 2.91Å; H320-R322 PolarHBondContact O-N 2.92Å; H320-V323 WeakPolarHBondContact O-CB 3.28Å; H320-V323 WeakPolarHBondContact O-CG2 3.44Å; H320-V323 PolarHBondContact O-N 3.06Å |
| 321 | I | 74.7 | Confident | 75.6 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -55.5 | -35.1 | 175.5 | -70.2 | 157.3 | 0 | 0 | 0 | 111 | W259 V284 T285 V289 L317 I318 V323 H324 T325 | W259-I321 HydrophobicContact CZ3-CD1 3.99Å; W259-I321 HydrophobicContact CZ3-CG1 4.09Å; V284-I321 HydrophobicContact CG1-CD1 3.75Å; V284-I321 HydrophobicContact CG1-CG1 4.32Å; V284-I321 HydrophobicContact CG1-CG2 4.12Å; T285-I321 HydrophobicContact CG2-CD1 4.34Å; V289-I321 HydrophobicContact CG2-CD1 3.97Å; L317-I321 HydrophobicContact CD1-CD1 4.16Å; L317-I321 HydrophobicContact CD1-CG1 4.22Å; L317-I321 HydrophobicContact CG-CD1 3.91Å; L317-I321 HydrophobicContact CG-CG1 4.47Å; L317-I321 WeakPolarHBondContact O-CG1 3.3Å; L317-I321 PolarHBondContact O-N 3.05Å; I318-I321 PolarHBondContact O-N 2.67Å; I321-V323 PolarHBondContact O-N 3.27Å; I321-H324 PolarHBondContact O-N 3.27Å; I321-T325 HydrophobicContact CG2-CG2 3.98Å; I321-T325 PolarHBondContact O-N 3.39Å; I321-T325 PolarHBondContact O-OG1 3.36Å |
| 322 | R | 78.9 | Confident | 76.3 | Confident | 39 Ų | 39 | 53.7 Ų | 53.7 | 15% | 0.147 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56.4 | -16.1 | 170.9 | -66.3 | -172.8 | 163.5 | 130.4 | 10.1 | 115.6 | I318 N319 H320 G326 E327 A342 | I318-R322 PolarHBondContact O-N 3.43Å; N319-R322 PolarHBondContact OD1-NH1 3.47Å; H320-R322 PolarHBondContact O-N 2.92Å; R322-G326 CarbonylContact O-C 3.24Å; R322-G326 WeakPolarHBondContact O-CA 3.22Å; R322-G326 PolarHBondContact O-N 2.78Å; R322-E327 HydrophobicContact CG-CB 4.22Å; R322-E327 IonicContact CZ-OE2 2.71Å; R322-E327 VanDerWaalsContact CZ-OE2 3.32Å; R322-E327 IonicContact NE-OE2 3.53Å; R322-E327 PolarHBondContact NE-OE2 3.11Å; R322-E327 IonicContact NH2-OE1 3.02Å; R322-E327 IonicContact NH2-OE2 3.46Å; R322-E327 PolarHBondContact NH2-OE2 3.27Å; R322-A342 HydrophobicContact CB-CB 4.47Å; R322-A342 WeakPolarHBondContact CD-O 3.35Å |
| 323 | V | 77.6 | Confident | 76.8 | Confident | 108 Ų | 108 | 46.2 Ų | 46.2 | 66% | 0.655 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -77.7 | -36.3 | 173.1 | -177.4 | 0 | 0 | 0 | 0 | 110.8 | H320 I321 | H320-V323 WeakPolarHBondContact O-CB 3.28Å; H320-V323 WeakPolarHBondContact O-CG2 3.44Å; H320-V323 PolarHBondContact O-N 3.06Å; I321-V323 PolarHBondContact O-N 3.27Å |
| 324 | H | 73.6 | Confident | 77.1 | Confident | 54 Ų | 54 | 48.6 Ų | 48.6 | 25% | 0.25 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -78.5 | -45.7 | 176.9 | -57 | -65.3 | 0 | 0 | 0 | 111.7 | W301 C304 I321 | W301-H324 AromaticContact CD1-CE1 3.34Å; W301-H324 AromaticContact CD1-CG 3.69Å; W301-H324 AromaticContact CD1-ND1 3.47Å; W301-H324 HydrophobicContact CD2-CB 3.82Å; W301-H324 AromaticContact CD2-CG 3.88Å; W301-H324 AromaticContact CE2-CG 3.98Å; W301-H324 HydrophobicContact CE3-CB 4.38Å; W301-H324 HydrophobicContact CG-CB 4.16Å; W301-H324 AromaticContact CG-CD2 3.92Å; W301-H324 AromaticContact CG-CG 3.71Å; W301-H324 AromaticContact CG-ND1 3.86Å; W301-H324 HydrophobicContact CH2-CB 4.47Å; W301-H324 HydrophobicContact CZ2-CB 3.9Å; W301-H324 AromaticContact NE1-CE1 3.53Å; W301-H324 AromaticContact NE1-CG 3.85Å; W301-H324 AromaticContact NE1-ND1 3.84Å; C304-H324 WeakPolarHBondContact CA-NE2 3Å; C304-H324 WeakPolarHBondContact CB-NE2 3.37Å; C304-H324 PolarHBondContact SG-NE2 2.82Å; I321-H324 PolarHBondContact O-N 3.27Å |
| 325 | T | 71.1 | Confident | 77.4 | Confident | 15 Ų | 15 | 51.5 Ų | 51.5 | 9% | 0.092 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -78.6 | -21.6 | 179.7 | 69.5 | 0 | 0 | 0 | 0 | 112.7 | M277 L280 V281 W301 I321 E327 | M277-T325 WeakPolarHBondContact CE-O 3.42Å; L280-T325 HydrophobicContact CD2-CG2 3.78Å; L280-T325 HydrophobicContact CG-CG2 4.12Å; V281-T325 HydrophobicContact CG2-CG2 4.1Å; W301-T325 HydrophobicContact CH2-CG2 4.34Å; I321-T325 HydrophobicContact CG2-CG2 3.98Å; I321-T325 PolarHBondContact O-N 3.39Å; I321-T325 PolarHBondContact O-OG1 3.36Å; T325-E327 PolarHBondContact O-N 3.09Å; T325-E327 PolarHBondContact OG1-N 2.85Å |
| 326 | G | 72.3 | Confident | 77.8 | Confident | 34 Ų | 34 | 49.6 Ų | 49.6 | 35% | 0.351 | 29% | 0.293 | S | S | . | . | trans | 73.4 | 7.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | R322 K328 | R322-G326 CarbonylContact O-C 3.24Å; R322-G326 WeakPolarHBondContact O-CA 3.22Å; R322-G326 PolarHBondContact O-N 2.78Å; G326-K328 WeakPolarHBondContact O-CG 3.22Å; G326-K328 PolarHBondContact O-N 3.25Å | ||
| 327 | E | 72.8 | Confident | 78.1 | Confident | 10 Ų | 10 | 45.7 Ų | 45.7 | 5% | 0.047 | 28% | 0.278 | C | S | . | . | trans | -56.2 | 128.9 | -177.1 | -164.3 | -146.6 | 178.8 | 0 | 0 | 112.3 | M277 V281 R322 T325 P329 A342 | M277-E327 HydrophobicContact CG-CB 3.82Å; M277-E327 HydrophobicContact CG-CG 3.87Å; V281-E327 HydrophobicContact CG2-CB 4.24Å; V281-E327 HydrophobicContact CG2-CG 4.4Å; R322-E327 HydrophobicContact CG-CB 4.22Å; R322-E327 IonicContact CZ-OE2 2.71Å; R322-E327 VanDerWaalsContact CZ-OE2 3.32Å; R322-E327 IonicContact NE-OE2 3.53Å; R322-E327 PolarHBondContact NE-OE2 3.11Å; R322-E327 IonicContact NH2-OE1 3.02Å; R322-E327 IonicContact NH2-OE2 3.46Å; R322-E327 PolarHBondContact NH2-OE2 3.27Å; T325-E327 PolarHBondContact O-N 3.09Å; T325-E327 PolarHBondContact OG1-N 2.85Å; E327-P329 HydrophobicContact CG-CG 4.4Å; E327-A342 WeakPolarHBondContact O-CB 3.45Å | ||
| 328 | K | 78.8 | Confident | 78.4 | Confident | 93 Ų | 93 | 49 Ų | 49 | 40% | 0.404 | 31% | 0.312 | S | S | . | . | trans | -127.2 | 67.1 | -179.8 | -69.4 | 163.6 | -162.1 | 163.6 | 0 | 111.7 | Y246 G326 F330 V340 F341 A342 | Y246-K328 WeakPolarHBondContact CE1-O 3.38Å; G326-K328 WeakPolarHBondContact O-CG 3.22Å; G326-K328 PolarHBondContact O-N 3.25Å; K328-F330 PolarHBondContact O-N 2.89Å; K328-V340 HydrophobicContact CB-CB 3.9Å; K328-V340 HydrophobicContact CB-CG2 3.89Å; K328-V340 HydrophobicContact CD-CG2 3.85Å; K328-V340 HydrophobicContact CG-CG2 4.48Å; K328-F341 CarbonylContact C-O 3.55Å; K328-F341 VanDerWaalsContact CA-O 3.28Å; K328-F341 WeakPolarHBondContact CA-O 3.26Å; K328-A342 HydrophobicContact CG-CB 4.26Å | ||
| 329 | P | 76.6 | Confident | 78.8 | Confident | 13 Ų | 13 | 52.7 Ų | 52.7 | 8% | 0.084 | 33% | 0.327 | C | S | . | . | trans | -74.6 | 3.9 | -169.6 | 31.9 | -35.2 | 0 | 0 | 0 | 114.5 | F243 M247 E327 P331 | F243-P329 HydrophobicContact CE2-CB 4.45Å; F243-P329 WeakPolarHBondContact CE2-O 3.11Å; M247-P329 HydrophobicContact CE-CB 4.44Å; M247-P329 HydrophobicContact SD-CB 4.22Å; E327-P329 HydrophobicContact CG-CG 4.4Å; P329-P331 VanDerWaalsContact C-CD 3.46Å; P329-P331 WeakPolarHBondContact O-CD 3.44Å | ||
| 330 | F | 79.9 | Confident | 79.1 | Confident | 52 Ų | 52 | 52.7 Ų | 52.7 | 23% | 0.228 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 82.1 | 179.1 | -56.8 | -74.4 | 0 | 0 | 0 | 111 | K328 F341 S344 L347 | K328-F330 PolarHBondContact O-N 2.89Å; F330-F341 HydrophobicContact CB-CB 4.24Å; F330-F341 WeakPolarHBondContact CB-O 3.42Å; F330-F341 WeakPolarHBondContact CD2-O 3.45Å; F330-F341 PolarHBondContact N-O 3.3Å; F330-F341 PolarHBondContact O-N 3.03Å; F330-S344 VanDerWaalsContact CD2-N 3.35Å; F330-L347 HydrophobicContact CB-CB 4.06Å; F330-L347 HydrophobicContact CB-CD2 3.88Å |
| 331 | P | 80.4 | Confident | 79.2 | Confident | 39 Ų | 39 | 53.9 Ų | 53.9 | 25% | 0.253 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 148.9 | 173.8 | 29.1 | -35.1 | 0 | 0 | 0 | 112.1 | F243 P329 V340 L347 | F243-P331 HydrophobicContact CD2-CG 4.47Å; P329-P331 VanDerWaalsContact C-CD 3.46Å; P329-P331 WeakPolarHBondContact O-CD 3.44Å; P331-V340 HydrophobicContact CB-CG1 4.09Å; P331-L347 WeakPolarHBondContact O-CD2 3.34Å |
| 332 | C | 86.8 | Confident | 79.4 | Confident | 14 Ų | 14 | 55.2 Ų | 55.2 | 10% | 0.095 | 35% | 0.345 | C | S | . | . | trans | -72.7 | 124.7 | 169.2 | -167.2 | 0 | 0 | 0 | 0 | 110.2 | F334 C337 K339 L347 H350 | C332-F334 VanDerWaalsContact C-N 3.26Å; C332-F334 PolarHBondContact O-N 3.02Å; C332-C337 HydrophobicContact CB-CB 4.26Å; C332-C337 VanDerWaalsContact SG-SG 3.68Å; C332-K339 WeakPolarHBondContact CB-O 3.5Å; C332-K339 PolarHBondContact N-O 2.92Å; C332-L347 HydrophobicContact CB-CD1 4.26Å; C332-H350 VanDerWaalsContact SG-CD2 3.54Å; C332-H350 PolarHBondContact SG-NE2 3.23Å; C332-H350 VanDerWaalsContact SG-NE2 3.35Å | ||
| 333 | P | 83 | Confident | 79.5 | Confident | 64 Ų | 64 | 57.7 Ų | 57.7 | 42% | 0.416 | 35% | 0.354 | S | S | . | . | trans | -79.8 | -4.5 | -179.8 | 33.9 | -37.3 | 0 | 0 | 0 | 113.6 | A239 | A239-P333 HydrophobicContact CB-CB 4.4Š| ||
| 334 | F | 81.7 | Confident | 79.6 | Confident | 74 Ų | 74 | 56.1 Ų | 56.1 | 33% | 0.325 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -73.8 | 125.1 | 176.9 | -77.1 | -86.1 | 0 | 0 | 0 | 110 | C332 C337 K351 H354 T355 | C332-F334 VanDerWaalsContact C-N 3.26Å; C332-F334 PolarHBondContact O-N 3.02Å; F334-C337 HydrophobicContact CB-CB 4.14Å; F334-C337 VanDerWaalsContact O-CB 3.22Å; F334-C337 WeakPolarHBondContact O-CB 2.83Å; F334-C337 PolarHBondContact O-N 2.96Å; F334-K351 HydrophobicContact CE2-CB 4.22Å; F334-K351 HydrophobicContact CE2-CG 4.12Å; F334-H354 HydrophobicContact CD1-CB 3.91Å; F334-H354 HydrophobicContact CD2-CB 3.88Å; F334-H354 AromaticContact CD2-CD2 3.43Å; F334-H354 VanDerWaalsContact CD2-CD2 3.43Å; F334-H354 WeakPolarHBondContact CD2-CD2 3.36Å; F334-H354 AromaticContact CD2-CG 3.64Å; F334-H354 HydrophobicContact CE1-CB 3.74Å; F334-H354 HydrophobicContact CE2-CB 3.7Å; F334-H354 AromaticContact CE2-CD2 3.89Å; F334-H354 AromaticContact CE2-CG 3.96Å; F334-H354 HydrophobicContact CG-CB 3.98Å; F334-H354 AromaticContact CG-CD2 3.86Å; F334-H354 AromaticContact CG-CG 3.69Å; F334-H354 HydrophobicContact CZ-CB 3.63Å; F334-T355 HydrophobicContact CZ-CG2 4.21Å |
| 335 | P | 80.4 | Confident | 80.1 | Confident | 126 Ų | 126 | 58.6 Ų | 58.6 | 82% | 0.818 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 149.7 | 178.2 | 26.7 | -34.3 | 0 | 0 | 0 | 110.9 | C337 | P335-C337 PolarHBondContact O-N 3.35Š|
| 336 | G | 80.3 | Confident | 80.8 | Confident | 94 Ų | 94 | 60.4 Ų | 60.4 | 97% | 0.969 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | -12.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 337 | C | 85.3 | Confident | 81.5 | Confident | 22 Ų | 22 | 59.8 Ų | 59.8 | 15% | 0.149 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -44.4 | -176.5 | -176.5 | 0 | 0 | 0 | 0 | 114.1 | C332 F334 P335 K339 H350 H354 | C332-C337 HydrophobicContact CB-CB 4.26Å; C332-C337 VanDerWaalsContact SG-SG 3.68Å; F334-C337 HydrophobicContact CB-CB 4.14Å; F334-C337 VanDerWaalsContact O-CB 3.22Å; F334-C337 WeakPolarHBondContact O-CB 2.83Å; F334-C337 PolarHBondContact O-N 2.96Å; P335-C337 PolarHBondContact O-N 3.35Å; C337-K339 PolarHBondContact O-N 3.35Å; C337-H350 PolarHBondContact SG-NE2 3.41Å; C337-H354 PolarHBondContact SG-CE1 3.24Å; C337-H354 PolarHBondContact SG-NE2 3.03Å; C337-H354 VanDerWaalsContact SG-NE2 3.36Å |
| 338 | G | 80.6 | Confident | 82.2 | Confident | 71 Ų | 71 | 66.3 Ų | 66.3 | 73% | 0.732 | 39% | 0.386 | S | S | * | . | trans | 64.8 | -9.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 339 | K | 82.4 | Confident | 82.6 | Confident | 120 Ų | 120 | 63.7 Ų | 63.7 | 52% | 0.522 | 38% | 0.376 | S | S | . | . | trans | -73.5 | 132.6 | -172.5 | -68.8 | 167.6 | -170.5 | 170.6 | 0 | 112.5 | C332 C337 F341 | C332-K339 WeakPolarHBondContact CB-O 3.5Å; C332-K339 PolarHBondContact N-O 2.92Å; C337-K339 PolarHBondContact O-N 3.35Å; K339-F341 HydrophobicContact CB-CE2 3.72Å; K339-F341 HydrophobicContact CB-CZ 3.92Å | ||
| 340 | V | 83.6 | Confident | 83.1 | Confident | 46 Ų | 46 | 63.9 Ų | 63.9 | 28% | 0.279 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 143.2 | 179.2 | -68.2 | 0 | 0 | 0 | 0 | 111.6 | Y246 K328 P331 | Y246-V340 HydrophobicContact CE1-CG1 4.39Å; Y246-V340 HydrophobicContact CE2-CG1 4.29Å; K328-V340 HydrophobicContact CB-CB 3.9Å; K328-V340 HydrophobicContact CB-CG2 3.89Å; K328-V340 HydrophobicContact CD-CG2 3.85Å; K328-V340 HydrophobicContact CG-CG2 4.48Å; P331-V340 HydrophobicContact CB-CG1 4.09Å |
| 341 | F | 81.8 | Confident | 83.4 | Confident | 43 Ų | 43 | 65.5 Ų | 65.5 | 19% | 0.189 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 146.2 | -172.7 | -60.2 | -92.8 | 0 | 0 | 0 | 112.5 | K328 F330 K339 N346 L347 H350 | K328-F341 CarbonylContact C-O 3.55Å; K328-F341 VanDerWaalsContact CA-O 3.28Å; K328-F341 WeakPolarHBondContact CA-O 3.26Å; F330-F341 HydrophobicContact CB-CB 4.24Å; F330-F341 WeakPolarHBondContact CB-O 3.42Å; F330-F341 WeakPolarHBondContact CD2-O 3.45Å; F330-F341 PolarHBondContact N-O 3.3Å; F330-F341 PolarHBondContact O-N 3.03Å; K339-F341 HydrophobicContact CB-CE2 3.72Å; K339-F341 HydrophobicContact CB-CZ 3.92Å; F341-N346 HydrophobicContact CB-CB 4.28Å; F341-N346 HydrophobicContact CD1-CB 3.83Å; F341-N346 HydrophobicContact CG-CB 4.34Å; F341-L347 HydrophobicContact CB-CB 4.45Å; F341-L347 HydrophobicContact CD2-CB 4.27Å; F341-L347 HydrophobicContact CD2-CD1 4.23Å; F341-L347 HydrophobicContact CG-CB 4.48Å; F341-H350 HydrophobicContact CE1-CB 4.04Å; F341-H350 HydrophobicContact CE2-CB 3.97Å; F341-H350 AromaticContact CE2-CD2 3.2Å; F341-H350 WeakPolarHBondContact CE2-CD2 3.36Å; F341-H350 AromaticContact CE2-CG 3.71Å; F341-H350 HydrophobicContact CZ-CB 3.55Å; F341-H350 AromaticContact CZ-CD2 3.31Å; F341-H350 WeakPolarHBondContact CZ-CD2 3.41Å; F341-H350 AromaticContact CZ-CG 3.34Å |
| 342 | A | 79.7 | Confident | 83.8 | Confident | 29 Ų | 29 | 65.9 Ų | 65.9 | 24% | 0.24 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -80.3 | -12.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | R322 E327 K328 | R322-A342 HydrophobicContact CB-CB 4.47Å; R322-A342 WeakPolarHBondContact CD-O 3.35Å; E327-A342 WeakPolarHBondContact O-CB 3.45Å; K328-A342 HydrophobicContact CG-CB 4.26Å |
| 343 | R | 80.8 | Confident | 83.7 | Confident | 91 Ų | 91 | 69.5 Ų | 69.5 | 34% | 0.343 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -137.3 | 137.2 | -178.2 | -55.9 | -165.8 | -64.5 | 98.8 | -5.6 | 111.4 | E345 N346 L347 | R343-E345 VanDerWaalsContact C-N 3.32Å; R343-E345 IonicContact CZ-OE2 3.01Å; R343-E345 IonicContact NH1-OE2 2.68Å; R343-E345 PolarHBondContact NH1-OE2 3.41Å; R343-E345 IonicContact NH2-OE2 2.77Å; R343-E345 PolarHBondContact NH2-OE2 2.77Å; R343-E345 PolarHBondContact O-N 2.93Å; R343-N346 PolarHBondContact NH2-OD1 3.13Å; R343-N346 WeakPolarHBondContact O-CB 3.43Å; R343-N346 PolarHBondContact O-N 3.41Å; R343-N346 VanDerWaalsContact O-N 3.12Å; R343-L347 PolarHBondContact O-N 3.48Å |
| 344 | S | 80.6 | Confident | 83.8 | Confident | 75 Ų | 75 | 70 Ų | 70 | 52% | 0.524 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.2 | -37.9 | 179.4 | 52.2 | 0 | 0 | 0 | 0 | 113.2 | F330 N346 L347 K348 | F330-S344 VanDerWaalsContact CD2-N 3.35Å; S344-N346 PolarHBondContact O-N 3.12Å; S344-L347 WeakPolarHBondContact O-CB 3.41Å; S344-L347 PolarHBondContact O-N 3.15Å; S344-K348 PolarHBondContact O-N 3.46Å |
| 345 | E | 84.3 | Confident | 84 | Confident | 105 Ų | 105 | 70.2 Ų | 70.2 | 49% | 0.491 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -57.5 | -45.4 | 172.9 | -178.7 | -170.7 | -134.6 | 0 | 0 | 111.8 | R343 L347 K348 I349 | R343-E345 VanDerWaalsContact C-N 3.32Å; R343-E345 IonicContact CZ-OE2 3.01Å; R343-E345 IonicContact NH1-OE2 2.68Å; R343-E345 PolarHBondContact NH1-OE2 3.41Å; R343-E345 IonicContact NH2-OE2 2.77Å; R343-E345 PolarHBondContact NH2-OE2 2.77Å; R343-E345 PolarHBondContact O-N 2.93Å; E345-L347 VanDerWaalsContact C-N 3.3Å; E345-L347 PolarHBondContact O-N 3.21Å; E345-K348 WeakPolarHBondContact O-CB 3.32Å; E345-K348 PolarHBondContact O-N 2.82Å; E345-K348 VanDerWaalsContact O-N 3.08Å; E345-I349 HydrophobicContact CG-CD1 3.97Å; E345-I349 WeakPolarHBondContact O-CG1 3.44Å; E345-I349 PolarHBondContact O-N 2.96Å |
| 346 | N | 85.7 | Confident | 84.1 | Confident | 54 Ų | 54 | 66.5 Ų | 66.5 | 29% | 0.289 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.9 | -37.9 | 178.3 | -69.1 | -1.4 | 0 | 0 | 0 | 111.1 | F341 R343 S344 H350 | F341-N346 HydrophobicContact CB-CB 4.28Å; F341-N346 HydrophobicContact CD1-CB 3.83Å; F341-N346 HydrophobicContact CG-CB 4.34Å; R343-N346 PolarHBondContact NH2-OD1 3.13Å; R343-N346 WeakPolarHBondContact O-CB 3.43Å; R343-N346 PolarHBondContact O-N 3.41Å; R343-N346 VanDerWaalsContact O-N 3.12Å; S344-N346 PolarHBondContact O-N 3.12Å; N346-H350 VanDerWaalsContact O-CB 3.28Å; N346-H350 WeakPolarHBondContact O-CB 3.49Å; N346-H350 PolarHBondContact O-N 2.94Å |
| 347 | L | 87.4 | Confident | 84.4 | Confident | 21 Ų | 21 | 66.5 Ų | 66.5 | 11% | 0.11 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 171.1 | 172.5 | 61 | 0 | 0 | 0 | 111.5 | F330 P331 C332 F341 R343 S344 E345 I349 H350 K351 | F330-L347 HydrophobicContact CB-CB 4.06Å; F330-L347 HydrophobicContact CB-CD2 3.88Å; P331-L347 WeakPolarHBondContact O-CD2 3.34Å; C332-L347 HydrophobicContact CB-CD1 4.26Å; F341-L347 HydrophobicContact CB-CB 4.45Å; F341-L347 HydrophobicContact CD2-CB 4.27Å; F341-L347 HydrophobicContact CD2-CD1 4.23Å; F341-L347 HydrophobicContact CG-CB 4.48Å; R343-L347 PolarHBondContact O-N 3.48Å; S344-L347 WeakPolarHBondContact O-CB 3.41Å; S344-L347 PolarHBondContact O-N 3.15Å; E345-L347 VanDerWaalsContact C-N 3.3Å; E345-L347 PolarHBondContact O-N 3.21Å; L347-I349 PolarHBondContact O-N 2.88Å; L347-H350 CarbonylContact O-C 3.51Å; L347-H350 PolarHBondContact O-N 3.35Å; L347-H350 VanDerWaalsContact O-N 3.15Å; L347-K351 HydrophobicContact CD1-CG 4.22Å; L347-K351 WeakPolarHBondContact O-CG 3.4Å; L347-K351 PolarHBondContact O-N 3.3Å |
| 348 | K | 86.4 | Confident | 84.4 | Confident | 147 Ų | 147 | 71.6 Ų | 71.6 | 64% | 0.639 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -61.8 | -42.5 | 177.3 | -168.4 | 175.7 | -177.3 | 176 | 0 | 111.6 | S344 E345 K351 | S344-K348 PolarHBondContact O-N 3.46Å; E345-K348 WeakPolarHBondContact O-CB 3.32Å; E345-K348 PolarHBondContact O-N 2.82Å; E345-K348 VanDerWaalsContact O-N 3.08Å; K348-K351 PolarHBondContact O-N 2.86Å |
| 349 | I | 86.8 | Confident | 84.6 | Confident | 38 Ų | 38 | 71.7 Ų | 71.7 | 20% | 0.195 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.5 | -39.6 | 173.1 | -67.3 | 166 | 0 | 0 | 0 | 110.9 | E345 L347 R352 N373 | E345-I349 HydrophobicContact CG-CD1 3.97Å; E345-I349 WeakPolarHBondContact O-CG1 3.44Å; E345-I349 PolarHBondContact O-N 2.96Å; L347-I349 PolarHBondContact O-N 2.88Å; I349-R352 WeakPolarHBondContact O-CB 3.34Å; I349-R352 PolarHBondContact O-N 3.1Å; I349-N373 HydrophobicContact CD1-CB 3.75Å; I349-N373 HydrophobicContact CG1-CB 3.94Å; I349-N373 HydrophobicContact CG2-CB 3.84Å |
| 350 | H | 87.4 | Confident | 84.8 | Confident | 16 Ų | 16 | 68.7 Ų | 68.7 | 7% | 0.074 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -70.4 | -34.6 | 178 | 175.4 | 45.2 | 0 | 0 | 0 | 113.4 | C332 C337 F341 N346 L347 R352 T353 H354 | C332-H350 VanDerWaalsContact SG-CD2 3.54Å; C332-H350 PolarHBondContact SG-NE2 3.23Å; C332-H350 VanDerWaalsContact SG-NE2 3.35Å; C337-H350 PolarHBondContact SG-NE2 3.41Å; F341-H350 HydrophobicContact CE1-CB 4.04Å; F341-H350 HydrophobicContact CE2-CB 3.97Å; F341-H350 AromaticContact CE2-CD2 3.2Å; F341-H350 WeakPolarHBondContact CE2-CD2 3.36Å; F341-H350 AromaticContact CE2-CG 3.71Å; F341-H350 HydrophobicContact CZ-CB 3.55Å; F341-H350 AromaticContact CZ-CD2 3.31Å; F341-H350 WeakPolarHBondContact CZ-CD2 3.41Å; F341-H350 AromaticContact CZ-CG 3.34Å; N346-H350 VanDerWaalsContact O-CB 3.28Å; N346-H350 WeakPolarHBondContact O-CB 3.49Å; N346-H350 PolarHBondContact O-N 2.94Å; L347-H350 CarbonylContact O-C 3.51Å; L347-H350 PolarHBondContact O-N 3.35Å; L347-H350 VanDerWaalsContact O-N 3.15Å; H350-R352 PolarHBondContact O-N 3.06Å; H350-R352 VanDerWaalsContact O-N 3.15Å; H350-T353 PolarHBondContact CE1-OG1 3.39Å; H350-T353 VanDerWaalsContact CE1-OG1 3.3Å; H350-T353 PolarHBondContact ND1-OG1 2.9Å; H350-T353 PolarHBondContact O-N 3.39Å; H350-T353 PolarHBondContact O-OG1 3.49Å; H350-H354 AromaticContact CE1-CD2 3.8Å; H350-H354 AromaticContact CE1-CE1 3.99Å; H350-H354 AromaticContact CE1-NE2 3.1Å; H350-H354 PolarHBondContact CE1-NE2 3.16Å; H350-H354 AromaticContact NE2-CD2 3.87Å; H350-H354 AromaticContact NE2-NE2 3.06Å; H350-H354 PolarHBondContact NE2-NE2 3.23Å |
| 351 | K | 86.6 | Confident | 84.9 | Confident | 86 Ų | 86 | 73 Ų | 73 | 37% | 0.374 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -54.5 | -35.2 | 174 | -74.3 | -174.8 | -178.9 | -168.9 | 0 | 111.6 | F334 L347 K348 T353 H354 T355 | F334-K351 HydrophobicContact CE2-CB 4.22Å; F334-K351 HydrophobicContact CE2-CG 4.12Å; L347-K351 HydrophobicContact CD1-CG 4.22Å; L347-K351 WeakPolarHBondContact O-CG 3.4Å; L347-K351 PolarHBondContact O-N 3.3Å; K348-K351 PolarHBondContact O-N 2.86Å; K351-T353 PolarHBondContact O-N 2.83Å; K351-H354 WeakPolarHBondContact O-CB 3.47Å; K351-H354 PolarHBondContact O-N 3.25Å; K351-T355 PolarHBondContact O-N 3.36Å |
| 352 | R | 88.2 | Confident | 85.3 | Confident | 48 Ų | 48 | 71.7 Ų | 71.7 | 18% | 0.181 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.4 | -19.9 | 174.3 | -61.2 | -171.7 | 170.5 | 138.1 | -0.8 | 115.3 | I349 H350 H354 T355 G356 E357 A372 | I349-R352 WeakPolarHBondContact O-CB 3.34Å; I349-R352 PolarHBondContact O-N 3.1Å; H350-R352 PolarHBondContact O-N 3.06Å; H350-R352 VanDerWaalsContact O-N 3.15Å; R352-H354 PolarHBondContact O-N 2.92Å; R352-T355 WeakPolarHBondContact CA-OG1 3.2Å; R352-G356 CarbonylContact O-C 3.5Å; R352-G356 WeakPolarHBondContact O-CA 3.41Å; R352-G356 PolarHBondContact O-N 2.53Å; R352-E357 HydrophobicContact CB-CB 3.85Å; R352-E357 WeakPolarHBondContact CB-O 3.45Å; R352-E357 HydrophobicContact CG-CB 3.72Å; R352-E357 IonicContact NE-OE2 3.12Å; R352-E357 PolarHBondContact NE-OE2 3.42Å; R352-E357 PolarHBondContact O-N 3.12Å; R352-A372 HydrophobicContact CB-CB 4.02Å; R352-A372 WeakPolarHBondContact CD-O 3.41Å; R352-A372 PolarHBondContact NH1-O 2.65Å |
| 353 | T | 85.6 | Confident | 85.5 | Confident | 90 Ų | 90 | 77.3 Ų | 77.3 | 55% | 0.552 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -77.3 | -11.4 | 172.4 | 72.7 | 0 | 0 | 0 | 0 | 112.7 | H350 K351 | H350-T353 PolarHBondContact CE1-OG1 3.39Å; H350-T353 VanDerWaalsContact CE1-OG1 3.3Å; H350-T353 PolarHBondContact ND1-OG1 2.9Å; H350-T353 PolarHBondContact O-N 3.39Å; H350-T353 PolarHBondContact O-OG1 3.49Å; K351-T353 PolarHBondContact O-N 2.83Å |
| 354 | H | 85.1 | Confident | 85.6 | Confident | 75 Ų | 75 | 78.3 Ų | 78.3 | 35% | 0.347 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -97.3 | -39.3 | 172.2 | -60.5 | -79.5 | 0 | 0 | 0 | 111.8 | F334 C337 H350 K351 R352 G356 | F334-H354 HydrophobicContact CD1-CB 3.91Å; F334-H354 HydrophobicContact CD2-CB 3.88Å; F334-H354 AromaticContact CD2-CD2 3.43Å; F334-H354 VanDerWaalsContact CD2-CD2 3.43Å; F334-H354 WeakPolarHBondContact CD2-CD2 3.36Å; F334-H354 AromaticContact CD2-CG 3.64Å; F334-H354 HydrophobicContact CE1-CB 3.74Å; F334-H354 HydrophobicContact CE2-CB 3.7Å; F334-H354 AromaticContact CE2-CD2 3.89Å; F334-H354 AromaticContact CE2-CG 3.96Å; F334-H354 HydrophobicContact CG-CB 3.98Å; F334-H354 AromaticContact CG-CD2 3.86Å; F334-H354 AromaticContact CG-CG 3.69Å; F334-H354 HydrophobicContact CZ-CB 3.63Å; C337-H354 PolarHBondContact SG-CE1 3.24Å; C337-H354 PolarHBondContact SG-NE2 3.03Å; C337-H354 VanDerWaalsContact SG-NE2 3.36Å; H350-H354 AromaticContact CE1-CD2 3.8Å; H350-H354 AromaticContact CE1-CE1 3.99Å; H350-H354 AromaticContact CE1-NE2 3.1Å; H350-H354 PolarHBondContact CE1-NE2 3.16Å; H350-H354 AromaticContact NE2-CD2 3.87Å; H350-H354 AromaticContact NE2-NE2 3.06Å; H350-H354 PolarHBondContact NE2-NE2 3.23Å; K351-H354 WeakPolarHBondContact O-CB 3.47Å; K351-H354 PolarHBondContact O-N 3.25Å; R352-H354 PolarHBondContact O-N 2.92Å; H354-G356 VanDerWaalsContact C-N 3.34Å |
| 355 | T | 84.8 | Confident | 85.6 | Confident | 77 Ų | 77 | 82.1 Ų | 82.1 | 47% | 0.472 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -82.6 | -8.6 | 176.5 | 59.6 | 0 | 0 | 0 | 0 | 114 | F334 K351 R352 E357 | F334-T355 HydrophobicContact CZ-CG2 4.21Å; K351-T355 PolarHBondContact O-N 3.36Å; R352-T355 WeakPolarHBondContact CA-OG1 3.2Å; T355-E357 WeakPolarHBondContact CB-OE1 3.31Å; T355-E357 PolarHBondContact O-N 2.79Å; T355-E357 VanDerWaalsContact OG1-CD 3.3Å; T355-E357 WeakPolarHBondContact OG1-CG 3.28Å; T355-E357 PolarHBondContact OG1-OE1 2.47Å |
| 356 | G | 83.3 | Confident | 85.4 | Confident | 48 Ų | 48 | 80.8 Ų | 80.8 | 50% | 0.495 | 43% | 0.427 | S | S | . | . | trans | 75.2 | -2.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | R352 H354 K358 | R352-G356 CarbonylContact O-C 3.5Å; R352-G356 WeakPolarHBondContact O-CA 3.41Å; R352-G356 PolarHBondContact O-N 2.53Å; H354-G356 VanDerWaalsContact C-N 3.34Å; G356-K358 PolarHBondContact O-N 2.95Å | ||
| 357 | E | 85.7 | Confident | 85.4 | Confident | 94 Ų | 94 | 79.3 Ų | 79.3 | 44% | 0.439 | 42% | 0.42 | S | S | . | . | trans | -52.8 | 117.2 | -177.5 | -82 | 168.5 | -114.6 | 0 | 0 | 113.4 | R352 T355 P359 | R352-E357 HydrophobicContact CB-CB 3.85Å; R352-E357 WeakPolarHBondContact CB-O 3.45Å; R352-E357 HydrophobicContact CG-CB 3.72Å; R352-E357 IonicContact NE-OE2 3.12Å; R352-E357 PolarHBondContact NE-OE2 3.42Å; R352-E357 PolarHBondContact O-N 3.12Å; T355-E357 WeakPolarHBondContact CB-OE1 3.31Å; T355-E357 PolarHBondContact O-N 2.79Å; T355-E357 VanDerWaalsContact OG1-CD 3.3Å; T355-E357 WeakPolarHBondContact OG1-CG 3.28Å; T355-E357 PolarHBondContact OG1-OE1 2.47Å; E357-P359 VanDerWaalsContact C-CD 3.48Å; E357-P359 WeakPolarHBondContact O-CD 3.43Å | ||
| 358 | K | 86.1 | Confident | 85.3 | Confident | 129 Ų | 129 | 84.8 Ų | 84.8 | 56% | 0.561 | 45% | 0.45 | S | S | * | . | trans | -125.6 | 69.7 | 175.3 | -71.2 | 164.1 | 178.2 | 176.6 | 0 | 110.8 | G356 F360 K370 F371 | G356-K358 PolarHBondContact O-N 2.95Å; K358-F360 VanDerWaalsContact C-N 3.27Å; K358-F360 PolarHBondContact O-N 3.42Å; K358-K370 HydrophobicContact CB-CB 3.6Å; K358-K370 HydrophobicContact CD-CB 4.38Å; K358-K370 WeakPolarHBondContact CD-O 3.45Å; K358-F371 CarbonylContact C-O 3.14Å; K358-F371 VanDerWaalsContact C-O 3.31Å; K358-F371 VanDerWaalsContact CA-O 3.31Å; K358-F371 WeakPolarHBondContact CA-O 3.47Å | ||
| 359 | P | 85.2 | Confident | 85.2 | Confident | 73 Ų | 73 | 85.1 Ų | 85.1 | 47% | 0.474 | 45% | 0.447 | S | S | . | . | trans | -68.8 | -22.9 | -174.3 | 26.9 | -34 | 0 | 0 | 0 | 113.6 | E357 K361 | E357-P359 VanDerWaalsContact C-CD 3.48Å; E357-P359 WeakPolarHBondContact O-CD 3.43Å; P359-K361 PolarHBondContact O-N 3.21Å | ||
| 360 | F | 85.4 | Confident | 85.3 | Confident | 58 Ų | 58 | 88 Ų | 88 | 25% | 0.254 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 88.2 | -178.4 | -57 | -79.6 | 0 | 0 | 0 | 110.4 | K358 K370 F371 N373 R377 | K358-F360 VanDerWaalsContact C-N 3.27Å; K358-F360 PolarHBondContact O-N 3.42Å; F360-K370 CarbonylContact O-C 3.31Å; F360-K370 WeakPolarHBondContact O-CA 3.41Å; F360-F371 HydrophobicContact CB-CB 4.29Å; F360-F371 PolarHBondContact N-O 3.22Å; F360-F371 VanDerWaalsContact N-O 3.13Å; F360-F371 WeakPolarHBondContact O-CD2 3.47Å; F360-F371 PolarHBondContact O-N 3.37Å; F360-N373 VanDerWaalsContact CD2-CA 3.41Å; F360-R377 HydrophobicContact CB-CB 4.33Å |
| 361 | K | 87.1 | Confident | 85.3 | Confident | 135 Ų | 135 | 89.2 Ų | 89.2 | 59% | 0.587 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 153.2 | 165.4 | -57.3 | -175.2 | -174.5 | 179.6 | 0 | 110.3 | P359 R369 K370 R377 | P359-K361 PolarHBondContact O-N 3.21Å; K361-R369 CarbonylContact C-O 3.56Å; K361-K370 HydrophobicContact CG-CD 4.31Å; K361-K370 HydrophobicContact CG-CG 4.22Å; K361-R377 WeakPolarHBondContact O-CD 3.47Å |
| 362 | C | 88.6 | Confident | 85.2 | Confident | 16 Ų | 16 | 86.1 Ų | 86.1 | 11% | 0.108 | 45% | 0.454 | C | S | . | . | trans | -61 | 155.1 | 162.9 | -156.2 | 0 | 0 | 0 | 0 | 110.4 | C367 R369 | C362-C367 HydrophobicContact CB-CB 4.13Å; C362-C367 WeakPolarHBondContact CB-O 3.43Å; C362-R369 PolarHBondContact N-O 2.83Å | ||
| 363 | E | 85.1 | Confident | 85.2 | Confident | 147 Ų | 147 | 84.7 Ų | 84.7 | 69% | 0.687 | 45% | 0.449 | S | S | * | . | trans | -107.1 | 0.2 | 178.9 | -71.2 | 155.7 | 162.2 | 0 | 0 | 111.8 | R377 | E363-R377 IonicContact OE1-CZ 2.67Å; E363-R377 IonicContact OE1-NH1 3.84Å; E363-R377 PolarHBondContact OE1-NH1 2.87Å; E363-R377 IonicContact OE1-NH2 3.98Å; E363-R377 PolarHBondContact OE1-NH2 3.06Å; E363-R377 IonicContact OE2-CZ 3.89Å; E363-R377 IonicContact OE2-NE 2.74Å; E363-R377 IonicContact OE2-NH1 3.79Å; E363-R377 PolarHBondContact OE2-NH1 3.42Å; E363-R377 IonicContact OE2-NH2 3.08Å; E363-R377 PolarHBondContact OE2-NH2 3.46Å | ||
| 364 | F | 83.1 | Confident | 85.2 | Confident | 113 Ų | 113 | 83.1 Ų | 83.1 | 50% | 0.496 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -85.4 | 131.4 | 173.3 | -173.7 | -94.5 | 0 | 0 | 0 | 109.9 | C367 H384 | F364-C367 HydrophobicContact CB-CB 4.36Å; F364-C367 HydrophobicContact CD1-CB 4.2Å; F364-C367 WeakPolarHBondContact O-CB 3.21Å; F364-C367 PolarHBondContact O-N 2.89Å; F364-H384 HydrophobicContact CB-CB 4.28Å; F364-H384 HydrophobicContact CD1-CB 4.11Å; F364-H384 AromaticContact CD1-CE1 3.67Å; F364-H384 AromaticContact CD1-CG 3.58Å; F364-H384 AromaticContact CD1-ND1 3.28Å; F364-H384 VanDerWaalsContact CD1-ND1 3.28Å; F364-H384 WeakPolarHBondContact CD1-ND1 3.44Å; F364-H384 HydrophobicContact CD2-CB 3.58Å; F364-H384 AromaticContact CD2-CG 3.88Å; F364-H384 HydrophobicContact CE1-CB 4.36Å; F364-H384 AromaticContact CE1-ND1 3.65Å; F364-H384 HydrophobicContact CE2-CB 3.86Å; F364-H384 HydrophobicContact CG-CB 3.71Å; F364-H384 AromaticContact CG-CD2 3.79Å; F364-H384 AromaticContact CG-CG 3.43Å; F364-H384 VanDerWaalsContact CG-CG 3.43Å; F364-H384 AromaticContact CG-ND1 3.68Å; F364-H384 HydrophobicContact CZ-CB 4.24Å |
| 365 | D | 79.3 | Confident | 85.2 | Confident | 155 Ų | 155 | 82.8 Ų | 82.8 | 83% | 0.829 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | 145.9 | -178.1 | -165.7 | 16.4 | 0 | 0 | 0 | 111.8 | C367 | D365-C367 PolarHBondContact O-N 3.42Š|
| 366 | G | 80.6 | Confident | 85.2 | Confident | 77 Ų | 77 | 82.1 Ų | 82.1 | 79% | 0.794 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.7 | 9.5 | -170 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 367 | C | 85.4 | Confident | 85.4 | Confident | 23 Ų | 23 | 82.5 Ų | 82.5 | 16% | 0.155 | 43% | 0.428 | C | S | . | . | trans | -114.8 | 91.2 | 177.4 | -168.3 | 0 | 0 | 0 | 0 | 114.5 | C362 F364 D365 R369 H380 H384 | C362-C367 HydrophobicContact CB-CB 4.13Å; C362-C367 WeakPolarHBondContact CB-O 3.43Å; F364-C367 HydrophobicContact CB-CB 4.36Å; F364-C367 HydrophobicContact CD1-CB 4.2Å; F364-C367 WeakPolarHBondContact O-CB 3.21Å; F364-C367 PolarHBondContact O-N 2.89Å; D365-C367 PolarHBondContact O-N 3.42Å; C367-R369 PolarHBondContact O-N 3.08Å; C367-H380 PolarHBondContact SG-NE2 3.08Å; C367-H384 PolarHBondContact SG-CE1 2.88Å; C367-H384 PolarHBondContact SG-NE2 3.31Å | ||
| 368 | D | 85.6 | Confident | 85.3 | Confident | 136 Ų | 136 | 85.2 Ų | 85.2 | 73% | 0.727 | 44% | 0.438 | S | S | * | . | trans | -68.1 | 6.3 | 178.2 | -94.9 | -63.8 | 0 | 0 | 0 | 116.5 | K370 | D368-K370 WeakPolarHBondContact O-CE 3.5Å; D368-K370 WeakPolarHBondContact O-CG 3.33Å; D368-K370 PolarHBondContact O-N 3.26Å | ||
| 369 | R | 84.8 | Confident | 85.1 | Confident | 154 Ų | 154 | 83.9 Ų | 83.9 | 58% | 0.581 | 43% | 0.433 | S | S | * | . | trans | -69.2 | 128.7 | -175.1 | -79.8 | -177.2 | 155.2 | 161.5 | -1.1 | 112.2 | K361 C362 C367 F371 H380 | K361-R369 CarbonylContact C-O 3.56Å; C362-R369 PolarHBondContact N-O 2.83Å; C367-R369 PolarHBondContact O-N 3.08Å; R369-F371 HydrophobicContact CB-CE2 3.74Å; R369-F371 HydrophobicContact CB-CZ 3.95Å; R369-H380 VanDerWaalsContact CD-NE2 3.27Å; R369-H380 WeakPolarHBondContact CD-NE2 3.42Å | ||
| 370 | K | 88.5 | Confident | 85 | Confident | 97 Ų | 97 | 81.1 Ų | 81.1 | 42% | 0.422 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 138.2 | -175.5 | -41.1 | -177.8 | -176.9 | 158 | 0 | 111 | K358 F360 K361 D368 | K358-K370 HydrophobicContact CB-CB 3.6Å; K358-K370 HydrophobicContact CD-CB 4.38Å; K358-K370 WeakPolarHBondContact CD-O 3.45Å; F360-K370 CarbonylContact O-C 3.31Å; F360-K370 WeakPolarHBondContact O-CA 3.41Å; K361-K370 HydrophobicContact CG-CD 4.31Å; K361-K370 HydrophobicContact CG-CG 4.22Å; D368-K370 WeakPolarHBondContact O-CE 3.5Å; D368-K370 WeakPolarHBondContact O-CG 3.33Å; D368-K370 PolarHBondContact O-N 3.26Å |
| 371 | F | 86.6 | Confident | 84.7 | Confident | 43 Ų | 43 | 80.6 Ų | 80.6 | 19% | 0.189 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 148.7 | -170.8 | -59.8 | -92.1 | 0 | 0 | 0 | 112.3 | K358 F360 R369 N373 D376 R377 H380 | K358-F371 CarbonylContact C-O 3.14Å; K358-F371 VanDerWaalsContact C-O 3.31Å; K358-F371 VanDerWaalsContact CA-O 3.31Å; K358-F371 WeakPolarHBondContact CA-O 3.47Å; F360-F371 HydrophobicContact CB-CB 4.29Å; F360-F371 PolarHBondContact N-O 3.22Å; F360-F371 VanDerWaalsContact N-O 3.13Å; F360-F371 WeakPolarHBondContact O-CD2 3.47Å; F360-F371 PolarHBondContact O-N 3.37Å; R369-F371 HydrophobicContact CB-CE2 3.74Å; R369-F371 HydrophobicContact CB-CZ 3.95Å; F371-N373 VanDerWaalsContact C-N 3.31Å; F371-N373 WeakPolarHBondContact CB-O 3.49Å; F371-D376 HydrophobicContact CD1-CB 3.98Å; F371-R377 HydrophobicContact CB-CB 4.35Å; F371-R377 HydrophobicContact CD2-CB 3.92Å; F371-R377 HydrophobicContact CD2-CG 4.23Å; F371-R377 HydrophobicContact CG-CB 4.2Å; F371-H380 HydrophobicContact CE1-CB 4.04Å; F371-H380 HydrophobicContact CE2-CB 4.08Å; F371-H380 AromaticContact CE2-CD2 3.38Å; F371-H380 WeakPolarHBondContact CE2-CD2 3.39Å; F371-H380 AromaticContact CE2-CG 3.99Å; F371-H380 HydrophobicContact CZ-CB 3.52Å; F371-H380 AromaticContact CZ-CD2 3.25Å; F371-H380 WeakPolarHBondContact CZ-CD2 3.38Å; F371-H380 AromaticContact CZ-CG 3.47Å; F371-H380 VanDerWaalsContact CZ-CG 3.47Å |
| 372 | A | 86.1 | Confident | 84.3 | Confident | 21 Ų | 21 | 77.4 Ų | 77.4 | 17% | 0.174 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -76.6 | -16 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | R352 | R352-A372 HydrophobicContact CB-CB 4.02Å; R352-A372 WeakPolarHBondContact CD-O 3.41Å; R352-A372 PolarHBondContact NH1-O 2.65Å |
| 373 | N | 87.3 | Confident | 83.8 | Confident | 18 Ų | 18 | 80.9 Ų | 80.9 | 10% | 0.096 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -143.2 | 155.2 | 175.7 | 68.9 | 80 | 0 | 0 | 0 | 111.9 | I349 F360 F371 S375 D376 R377 | I349-N373 HydrophobicContact CD1-CB 3.75Å; I349-N373 HydrophobicContact CG1-CB 3.94Å; I349-N373 HydrophobicContact CG2-CB 3.84Å; F360-N373 VanDerWaalsContact CD2-CA 3.41Å; F371-N373 VanDerWaalsContact C-N 3.31Å; F371-N373 WeakPolarHBondContact CB-O 3.49Å; N373-S375 WeakPolarHBondContact OD1-CB 3.49Å; N373-S375 PolarHBondContact OD1-N 2.91Å; N373-D376 PolarHBondContact ND2-OD2 2.75Å; N373-D376 WeakPolarHBondContact OD1-CB 3.45Å; N373-D376 PolarHBondContact OD1-N 3.03Å; N373-D376 PolarHBondContact OD1-OD2 2.97Å; N373-R377 PolarHBondContact O-N 3.49Å |
| 374 | S | 84.6 | Confident | 83.5 | Confident | 57 Ų | 57 | 76.3 Ų | 76.3 | 40% | 0.399 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -70 | -30.8 | -179.2 | 50.4 | 0 | 0 | 0 | 0 | 113.3 | D376 R377 K378 | S374-D376 PolarHBondContact O-N 3.07Å; S374-R377 WeakPolarHBondContact O-CB 3.42Å; S374-R377 PolarHBondContact O-N 2.67Å; S374-K378 PolarHBondContact O-N 3.01Å |
| 375 | S | 85.4 | Confident | 82.9 | Confident | 67 Ų | 67 | 73.7 Ų | 73.7 | 47% | 0.469 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.9 | -37 | -179.4 | -48.2 | 0 | 0 | 0 | 0 | 112.6 | N373 K378 K379 | N373-S375 WeakPolarHBondContact OD1-CB 3.49Å; N373-S375 PolarHBondContact OD1-N 2.91Å; S375-K378 PolarHBondContact O-N 3.41Å; S375-K379 WeakPolarHBondContact O-CE 3.39Å; S375-K379 VanDerWaalsContact O-CG 3.3Å; S375-K379 WeakPolarHBondContact O-CG 3.37Å; S375-K379 PolarHBondContact O-N 3.07Å |
| 376 | D | 84.7 | Confident | 82.2 | Confident | 63 Ų | 63 | 71.5 Ų | 71.5 | 34% | 0.337 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -76.7 | -31.7 | 176.2 | -68.5 | -24.9 | 0 | 0 | 0 | 111.8 | F371 N373 S374 K379 H380 | F371-D376 HydrophobicContact CD1-CB 3.98Å; N373-D376 PolarHBondContact ND2-OD2 2.75Å; N373-D376 WeakPolarHBondContact OD1-CB 3.45Å; N373-D376 PolarHBondContact OD1-N 3.03Å; N373-D376 PolarHBondContact OD1-OD2 2.97Å; S374-D376 PolarHBondContact O-N 3.07Å; D376-K379 PolarHBondContact O-N 3.38Å; D376-K379 WeakPolarHBondContact OD1-CE 3.49Å; D376-K379 IonicContact OD1-NZ 3.99Å; D376-K379 PolarHBondContact OD1-NZ 3.47Å; D376-H380 WeakPolarHBondContact O-CB 3.37Å; D376-H380 PolarHBondContact O-N 3.4Å |
| 377 | R | 87.9 | Confident | 81.6 | Confident | 56 Ų | 56 | 73.3 Ų | 73.3 | 21% | 0.211 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -58.9 | -48.5 | 165.2 | -175.4 | -168.8 | 71.2 | 173.2 | 16.5 | 111.2 | F360 K361 E363 F371 N373 S374 K379 H380 S381 | F360-R377 HydrophobicContact CB-CB 4.33Å; K361-R377 WeakPolarHBondContact O-CD 3.47Å; E363-R377 IonicContact OE1-CZ 2.67Å; E363-R377 IonicContact OE1-NH1 3.84Å; E363-R377 PolarHBondContact OE1-NH1 2.87Å; E363-R377 IonicContact OE1-NH2 3.98Å; E363-R377 PolarHBondContact OE1-NH2 3.06Å; E363-R377 IonicContact OE2-CZ 3.89Å; E363-R377 IonicContact OE2-NE 2.74Å; E363-R377 IonicContact OE2-NH1 3.79Å; E363-R377 PolarHBondContact OE2-NH1 3.42Å; E363-R377 IonicContact OE2-NH2 3.08Å; E363-R377 PolarHBondContact OE2-NH2 3.46Å; F371-R377 HydrophobicContact CB-CB 4.35Å; F371-R377 HydrophobicContact CD2-CB 3.92Å; F371-R377 HydrophobicContact CD2-CG 4.23Å; F371-R377 HydrophobicContact CG-CB 4.2Å; N373-R377 PolarHBondContact O-N 3.49Å; S374-R377 WeakPolarHBondContact O-CB 3.42Å; S374-R377 PolarHBondContact O-N 2.67Å; R377-K379 VanDerWaalsContact C-N 3.3Å; R377-K379 PolarHBondContact O-N 3.37Å; R377-H380 CarbonylContact O-C 3.58Å; R377-H380 WeakPolarHBondContact O-CA 3.49Å; R377-H380 WeakPolarHBondContact O-CB 3.46Å; R377-H380 PolarHBondContact O-N 2.87Å; R377-S381 PolarHBondContact O-N 2.96Å |
| 378 | K | 84.2 | Confident | 81.1 | Confident | 151 Ų | 151 | 77.8 Ų | 77.8 | 66% | 0.657 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -66.3 | -28.7 | 179.2 | -170.7 | 166.1 | -176.8 | 168.8 | 0 | 112.8 | S374 S375 S381 H382 | S374-K378 PolarHBondContact O-N 3.01Å; S375-K378 PolarHBondContact O-N 3.41Å; K378-S381 PolarHBondContact O-OG 3.15Å; K378-H382 PolarHBondContact O-CD2 3.2Å |
| 379 | K | 80.9 | Confident | 80.6 | Confident | 101 Ų | 101 | 75.1 Ų | 75.1 | 44% | 0.439 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -69.3 | -35.4 | 167.5 | -68.8 | 163.7 | -150.4 | 161.9 | 0 | 112 | S375 D376 R377 | S375-K379 WeakPolarHBondContact O-CE 3.39Å; S375-K379 VanDerWaalsContact O-CG 3.3Å; S375-K379 WeakPolarHBondContact O-CG 3.37Å; S375-K379 PolarHBondContact O-N 3.07Å; D376-K379 PolarHBondContact O-N 3.38Å; D376-K379 WeakPolarHBondContact OD1-CE 3.49Å; D376-K379 IonicContact OD1-NZ 3.99Å; D376-K379 PolarHBondContact OD1-NZ 3.47Å; R377-K379 VanDerWaalsContact C-N 3.3Å; R377-K379 PolarHBondContact O-N 3.37Å |
| 380 | H | 84.3 | Confident | 80.4 | Confident | 16 Ų | 16 | 71.8 Ų | 71.8 | 7% | 0.074 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -75.2 | -31.8 | 179.2 | 176.6 | 37 | 0 | 0 | 0 | 113.6 | C367 R369 F371 D376 R377 H382 V383 H384 | C367-H380 PolarHBondContact SG-NE2 3.08Å; R369-H380 VanDerWaalsContact CD-NE2 3.27Å; R369-H380 WeakPolarHBondContact CD-NE2 3.42Å; F371-H380 HydrophobicContact CE1-CB 4.04Å; F371-H380 HydrophobicContact CE2-CB 4.08Å; F371-H380 AromaticContact CE2-CD2 3.38Å; F371-H380 WeakPolarHBondContact CE2-CD2 3.39Å; F371-H380 AromaticContact CE2-CG 3.99Å; F371-H380 HydrophobicContact CZ-CB 3.52Å; F371-H380 AromaticContact CZ-CD2 3.25Å; F371-H380 WeakPolarHBondContact CZ-CD2 3.38Å; F371-H380 AromaticContact CZ-CG 3.47Å; F371-H380 VanDerWaalsContact CZ-CG 3.47Å; D376-H380 WeakPolarHBondContact O-CB 3.37Å; D376-H380 PolarHBondContact O-N 3.4Å; R377-H380 CarbonylContact O-C 3.58Å; R377-H380 WeakPolarHBondContact O-CA 3.49Å; R377-H380 WeakPolarHBondContact O-CB 3.46Å; R377-H380 PolarHBondContact O-N 2.87Å; H380-H382 PolarHBondContact O-N 2.65Å; H380-H382 VanDerWaalsContact O-N 3.1Å; H380-V383 VanDerWaalsContact O-CB 3.23Å; H380-V383 WeakPolarHBondContact O-CB 3.43Å; H380-V383 WeakPolarHBondContact O-CG2 3.3Å; H380-V383 PolarHBondContact O-N 3.48Å; H380-H384 AromaticContact CE1-NE2 3.47Å; H380-H384 PolarHBondContact CE1-NE2 3.48Å; H380-H384 AromaticContact NE2-NE2 3.38Å; H380-H384 PolarHBondContact NE2-NE2 2.87Å |
| 381 | S | 79.7 | Confident | 80.1 | Confident | 47 Ų | 47 | 73.9 Ų | 73.9 | 33% | 0.329 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -57.6 | -27.7 | 175.8 | 48.8 | 0 | 0 | 0 | 0 | 112.8 | R377 K378 V383 H384 T385 | R377-S381 PolarHBondContact O-N 2.96Å; K378-S381 PolarHBondContact O-OG 3.15Å; S381-V383 PolarHBondContact O-N 3Å; S381-H384 PolarHBondContact O-N 3.27Å; S381-T385 PolarHBondContact O-N 3.15Å |
| 382 | H | 77.9 | Confident | 80 | Confident | 67 Ų | 67 | 72.4 Ų | 72.4 | 31% | 0.31 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | 7.2 | 169.5 | -60 | -63.7 | 0 | 0 | 0 | 115.3 | K378 H380 T385 T402 | K378-H382 PolarHBondContact O-CD2 3.2Å; H380-H382 PolarHBondContact O-N 2.65Å; H380-H382 VanDerWaalsContact O-N 3.1Å; H382-T385 WeakPolarHBondContact CA-OG1 3.42Å; H382-T402 WeakPolarHBondContact O-CB 3.15Å; H382-T402 VanDerWaalsContact O-CG2 3.31Å; H382-T402 WeakPolarHBondContact O-CG2 3.31Å; H382-T402 PolarHBondContact O-OG1 3.23Å |
| 383 | V | 78.8 | Confident | 79.7 | Confident | 89 Ų | 89 | 77.7 Ų | 77.7 | 54% | 0.539 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -22.9 | 168 | -178.8 | 0 | 0 | 0 | 0 | 110.8 | H380 S381 | H380-V383 VanDerWaalsContact O-CB 3.23Å; H380-V383 WeakPolarHBondContact O-CB 3.43Å; H380-V383 WeakPolarHBondContact O-CG2 3.3Å; H380-V383 PolarHBondContact O-N 3.48Å; S381-V383 PolarHBondContact O-N 3Å |
| 384 | H | 77.6 | Confident | 79.4 | Confident | 51 Ų | 51 | 79.8 Ų | 79.8 | 24% | 0.236 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -27.3 | 178.1 | -58.3 | -62.3 | 0 | 0 | 0 | 112.4 | F364 C367 H380 S381 S386 | F364-H384 HydrophobicContact CB-CB 4.28Å; F364-H384 HydrophobicContact CD1-CB 4.11Å; F364-H384 AromaticContact CD1-CE1 3.67Å; F364-H384 AromaticContact CD1-CG 3.58Å; F364-H384 AromaticContact CD1-ND1 3.28Å; F364-H384 VanDerWaalsContact CD1-ND1 3.28Å; F364-H384 WeakPolarHBondContact CD1-ND1 3.44Å; F364-H384 HydrophobicContact CD2-CB 3.58Å; F364-H384 AromaticContact CD2-CG 3.88Å; F364-H384 HydrophobicContact CE1-CB 4.36Å; F364-H384 AromaticContact CE1-ND1 3.65Å; F364-H384 HydrophobicContact CE2-CB 3.86Å; F364-H384 HydrophobicContact CG-CB 3.71Å; F364-H384 AromaticContact CG-CD2 3.79Å; F364-H384 AromaticContact CG-CG 3.43Å; F364-H384 VanDerWaalsContact CG-CG 3.43Å; F364-H384 AromaticContact CG-ND1 3.68Å; F364-H384 HydrophobicContact CZ-CB 4.24Å; C367-H384 PolarHBondContact SG-CE1 2.88Å; C367-H384 PolarHBondContact SG-NE2 3.31Å; H380-H384 AromaticContact CE1-NE2 3.47Å; H380-H384 PolarHBondContact CE1-NE2 3.48Å; H380-H384 AromaticContact NE2-NE2 3.38Å; H380-H384 PolarHBondContact NE2-NE2 2.87Å; S381-H384 PolarHBondContact O-N 3.27Å; H384-S386 PolarHBondContact O-N 3.47Å |
| 385 | T | 71.4 | Confident | 78.9 | Confident | 58 Ų | 58 | 88.4 Ų | 88.4 | 36% | 0.356 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -74.2 | 111.7 | 162.2 | 58.2 | 0 | 0 | 0 | 0 | 108.9 | S381 H382 D387 | S381-T385 PolarHBondContact O-N 3.15Å; H382-T385 WeakPolarHBondContact CA-OG1 3.42Å; T385-D387 PolarHBondContact O-N 2.97Å; T385-D387 VanDerWaalsContact O-N 3.14Å |
| 386 | S | 63.5 | Low | 78.4 | Confident | 109 Ų | 109 | 89 Ų | 89 | 76% | 0.762 | 45% | 0.453 | S | S | * | . | trans | -62.1 | -16.1 | 175 | -65.2 | 0 | 0 | 0 | 0 | 113.5 | H384 K388 | H384-S386 PolarHBondContact O-N 3.47Å; S386-K388 PolarHBondContact O-N 3.41Å | ||
| 387 | D | 69.4 | Low | 78.2 | Confident | 115 Ų | 115 | 86.4 Ų | 86.4 | 62% | 0.615 | 44% | 0.44 | S | S | * | . | trans | -62.2 | 125 | -179.2 | -55.2 | -54.5 | 0 | 0 | 0 | 112.7 | T385 P389 T402 | T385-D387 PolarHBondContact O-N 2.97Å; T385-D387 VanDerWaalsContact O-N 3.14Å; D387-P389 WeakPolarHBondContact O-CD 3.3Å; D387-T402 WeakPolarHBondContact O-CG2 3.44Å | ||
| 388 | K | 73.2 | Confident | 77.8 | Confident | 117 Ų | 117 | 91.3 Ų | 91.3 | 51% | 0.509 | 47% | 0.47 | S | S | . | . | trans | -114.7 | 63.9 | 177.8 | -67.2 | 170.1 | -172.2 | 170.6 | 0 | 111 | S386 Y390 S400 Y401 T402 | S386-K388 PolarHBondContact O-N 3.41Å; K388-Y390 PolarHBondContact O-N 2.97Å; K388-S400 WeakPolarHBondContact CB-OG 3.46Å; K388-S400 WeakPolarHBondContact CD-OG 3.49Å; K388-Y401 CarbonylContact C-O 3.58Å; K388-Y401 VanDerWaalsContact C-O 3.24Å; K388-Y401 VanDerWaalsContact CA-O 3.3Å; K388-Y401 WeakPolarHBondContact CA-O 3.35Å; K388-T402 HydrophobicContact CG-CG2 3.68Å | ||
| 389 | P | 76.6 | Confident | 77.6 | Confident | 80 Ų | 80 | 89.6 Ų | 89.6 | 52% | 0.519 | 46% | 0.463 | S | S | . | . | trans | -66.1 | -11.9 | -172 | 27.4 | -35.5 | 0 | 0 | 0 | 114.1 | D387 Y391 | D387-P389 WeakPolarHBondContact O-CD 3.3Å; P389-Y391 PolarHBondContact O-N 3.47Å | ||
| 390 | Y | 79.8 | Confident | 77.5 | Confident | 85 Ų | 85 | 87.2 Ų | 87.2 | 33% | 0.333 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 84.7 | -178.2 | -52.4 | -70.8 | 0 | 0 | 0 | 111.1 | K388 Y401 P404 | K388-Y390 PolarHBondContact O-N 2.97Å; Y390-Y401 WeakPolarHBondContact CB-O 3.45Å; Y390-Y401 WeakPolarHBondContact CD2-O 3.38Å; Y390-Y401 PolarHBondContact N-O 3.2Å; Y390-Y401 VanDerWaalsContact N-O 3.13Å; Y390-Y401 PolarHBondContact O-N 2.88Å; Y390-P404 HydrophobicContact CD1-CB 4.45Å; Y390-P404 HydrophobicContact CD1-CG 4.03Å; Y390-P404 HydrophobicContact CD2-CG 4.28Å; Y390-P404 HydrophobicContact CE1-CB 4.46Å; Y390-P404 HydrophobicContact CE1-CG 3.63Å; Y390-P404 HydrophobicContact CE2-CG 3.91Å; Y390-P404 HydrophobicContact CG-CG 4.34Å |
| 391 | Y | 81.9 | Confident | 77.3 | Confident | 140 Ų | 140 | 89.2 Ų | 89.2 | 55% | 0.549 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 151.3 | 177.1 | 58.9 | -86.7 | 0 | 0 | 0 | 113.2 | P389 K393 L407 | P389-Y391 PolarHBondContact O-N 3.47Å; Y391-K393 HydrophobicContact CD2-CG 4.18Å; Y391-K393 HydrophobicContact CE2-CG 3.84Å; Y391-L407 WeakPolarHBondContact O-CD1 3.23Å; Y391-L407 WeakPolarHBondContact O-CD2 3.42Å |
| 392 | C | 85.3 | Confident | 77.1 | Confident | 12 Ų | 12 | 88.8 Ų | 88.8 | 8% | 0.081 | 46% | 0.462 | C | S | . | . | trans | -70.4 | 138.4 | 167.1 | -178.4 | 0 | 0 | 0 | 0 | 110.8 | V394 C397 K399 L407 M411 H414 | C392-V394 PolarHBondContact SG-N 3.21Å; C392-V394 VanDerWaalsContact SG-N 3.36Å; C392-C397 WeakPolarHBondContact CB-O 3.48Å; C392-K399 WeakPolarHBondContact CB-O 3.5Å; C392-K399 PolarHBondContact N-O 3.46Å; C392-L407 HydrophobicContact CB-CD1 4.3Å; C392-M411 HydrophobicContact CB-CE 3.93Å; C392-M411 WeakPolarHBondContact SG-CE 3.49Å; C392-H414 PolarHBondContact SG-NE2 3.14Å | ||
| 393 | K | 79.3 | Confident | 77.1 | Confident | 132 Ų | 132 | 88 Ų | 88 | 57% | 0.574 | 46% | 0.458 | S | S | * | . | trans | -98.9 | 1.1 | 177.3 | -64.7 | -174.7 | 178.9 | 179.9 | 0 | 113.7 | Y391 | Y391-K393 HydrophobicContact CD2-CG 4.18Å; Y391-K393 HydrophobicContact CE2-CG 3.84Å | ||
| 394 | V | 81.1 | Confident | 77 | Confident | 62 Ų | 62 | 85.3 Ų | 85.3 | 38% | 0.376 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -80.8 | 129.8 | 179.1 | -177.3 | 0 | 0 | 0 | 0 | 108.9 | C392 G396 C397 H414 | C392-V394 PolarHBondContact SG-N 3.21Å; C392-V394 VanDerWaalsContact SG-N 3.36Å; V394-G396 PolarHBondContact O-N 3.13Å; V394-C397 PolarHBondContact O-N 2.94Å; V394-H414 HydrophobicContact CG2-CB 4.16Å; V394-H414 VanDerWaalsContact CG2-CD2 3.5Å; V394-H414 WeakPolarHBondContact CG2-CD2 3.45Å |
| 395 | R | 74.4 | Confident | 77.1 | Confident | 239 Ų | 239 | 85.2 Ų | 85.2 | 90% | 0.902 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | 135.4 | -179.7 | -65 | -68.7 | 174.2 | 109.9 | -5.2 | 110.1 | ||
| 396 | G | 74.2 | Confident | 77.6 | Confident | 79 Ų | 79 | 84.5 Ų | 84.5 | 81% | 0.814 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.4 | 22.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | V394 | V394-G396 PolarHBondContact O-N 3.13Š|
| 397 | C | 80.9 | Confident | 78.6 | Confident | 9 Ų | 9 | 80.9 Ų | 80.9 | 6% | 0.061 | 42% | 0.417 | C | S | . | . | trans | -143.4 | 88.5 | 177.2 | -161.1 | 0 | 0 | 0 | 0 | 114 | C392 V394 K399 H410 H414 | C392-C397 WeakPolarHBondContact CB-O 3.48Å; V394-C397 PolarHBondContact O-N 2.94Å; C397-K399 PolarHBondContact O-N 3.37Å; C397-H410 VanDerWaalsContact SG-CE1 3.55Å; C397-H410 PolarHBondContact SG-NE2 3.47Å; C397-H410 VanDerWaalsContact SG-NE2 3.39Å; C397-H414 WeakPolarHBondContact CB-CE1 3.38Å; C397-H414 WeakPolarHBondContact CB-NE2 3.47Å; C397-H414 PolarHBondContact SG-CE1 3.28Å; C397-H414 PolarHBondContact SG-NE2 2.81Å | ||
| 398 | D | 78.6 | Confident | 79.2 | Confident | 158 Ų | 158 | 80.5 Ų | 80.5 | 85% | 0.845 | 41% | 0.407 | S | S | * | . | trans | -80.6 | 28.4 | -173.9 | -44.2 | -72 | 0 | 0 | 0 | 113.8 | S400 | D398-S400 PolarHBondContact O-N 3Š| ||
| 399 | K | 79.9 | Confident | 79.7 | Confident | 116 Ų | 116 | 82.4 Ų | 82.4 | 50% | 0.504 | 42% | 0.415 | S | S | . | . | trans | -82.9 | 114.3 | -173.6 | -69.3 | -179.7 | -178.5 | 171.3 | 0 | 111.2 | C392 C397 Y401 | C392-K399 WeakPolarHBondContact CB-O 3.5Å; C392-K399 PolarHBondContact N-O 3.46Å; C397-K399 PolarHBondContact O-N 3.37Å; K399-Y401 HydrophobicContact CB-CE2 3.89Å; K399-Y401 WeakPolarHBondContact O-CE2 3.47Å | ||
| 400 | S | 79.9 | Confident | 80 | Confident | 51 Ų | 51 | 79.3 Ų | 79.3 | 36% | 0.357 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 149.8 | 177.3 | 63.1 | 0 | 0 | 0 | 0 | 112.9 | K388 D398 | K388-S400 WeakPolarHBondContact CB-OG 3.46Å; K388-S400 WeakPolarHBondContact CD-OG 3.49Å; D398-S400 PolarHBondContact O-N 3Å |
| 401 | Y | 79.3 | Confident | 80 | Confident | 58 Ų | 58 | 77.2 Ų | 77.2 | 23% | 0.227 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 147.6 | -172.7 | -62.4 | -86.4 | 0 | 0 | 0 | 111.9 | K388 Y390 K399 H403 L407 H410 | K388-Y401 CarbonylContact C-O 3.58Å; K388-Y401 VanDerWaalsContact C-O 3.24Å; K388-Y401 VanDerWaalsContact CA-O 3.3Å; K388-Y401 WeakPolarHBondContact CA-O 3.35Å; Y390-Y401 WeakPolarHBondContact CB-O 3.45Å; Y390-Y401 WeakPolarHBondContact CD2-O 3.38Å; Y390-Y401 PolarHBondContact N-O 3.2Å; Y390-Y401 VanDerWaalsContact N-O 3.13Å; Y390-Y401 PolarHBondContact O-N 2.88Å; K399-Y401 HydrophobicContact CB-CE2 3.89Å; K399-Y401 WeakPolarHBondContact O-CE2 3.47Å; Y401-H403 VanDerWaalsContact C-N 3.31Å; Y401-L407 HydrophobicContact CD2-CB 4.03Å; Y401-L407 HydrophobicContact CD2-CD1 3.91Å; Y401-L407 HydrophobicContact CE2-CD1 4.24Å; Y401-L407 HydrophobicContact CG-CB 4.38Å; Y401-H410 HydrophobicContact CE1-CB 4.43Å; Y401-H410 HydrophobicContact CE2-CB 3.86Å; Y401-H410 AromaticContact CE2-CD2 3.41Å; Y401-H410 VanDerWaalsContact CE2-CD2 3.41Å; Y401-H410 WeakPolarHBondContact CE2-CD2 3.46Å; Y401-H410 AromaticContact CE2-CG 3.82Å; Y401-H410 AromaticContact CZ-CD2 3.79Å; Y401-H410 AromaticContact CZ-CG 3.75Å; Y401-H410 WeakPolarHBondContact OH-CB 3.46Å; Y401-H410 PolarHBondContact OH-CD2 3.39Å |
| 402 | T | 77.2 | Confident | 80 | Confident | 37 Ų | 37 | 76.2 Ų | 76.2 | 23% | 0.227 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -79.8 | -9 | 175.9 | 65.2 | 0 | 0 | 0 | 0 | 113.6 | H382 D387 K388 | H382-T402 WeakPolarHBondContact O-CB 3.15Å; H382-T402 VanDerWaalsContact O-CG2 3.31Å; H382-T402 WeakPolarHBondContact O-CG2 3.31Å; H382-T402 PolarHBondContact O-OG1 3.23Å; D387-T402 WeakPolarHBondContact O-CG2 3.44Å; K388-T402 HydrophobicContact CG-CG2 3.68Å |
| 403 | H | 76.4 | Confident | 79.8 | Confident | 50 Ų | 50 | 79.7 Ų | 79.7 | 23% | 0.231 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -148 | 141.1 | -176.7 | -170.9 | -99.7 | 0 | 0 | 0 | 113.6 | Y401 S405 S406 L407 | Y401-H403 VanDerWaalsContact C-N 3.31Å; H403-S405 VanDerWaalsContact C-N 3.31Å; H403-S405 PolarHBondContact CE1-OG 3.32Å; H403-S405 VanDerWaalsContact CE1-OG 3.26Å; H403-S405 PolarHBondContact ND1-N 3.26Å; H403-S405 PolarHBondContact ND1-OG 3.05Å; H403-S405 PolarHBondContact O-N 3.24Å; H403-S406 WeakPolarHBondContact O-CB 3.07Å; H403-S406 PolarHBondContact O-N 3.42Å; H403-S406 VanDerWaalsContact O-N 3.08Å; H403-L407 PolarHBondContact O-N 2.81Å |
| 404 | P | 77.1 | Confident | 79.6 | Confident | 34 Ų | 34 | 75.9 Ų | 75.9 | 22% | 0.221 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.9 | -31.2 | -173.2 | -20.8 | 30.1 | 0 | 0 | 0 | 114.6 | Y390 S406 L407 R408 | Y390-P404 HydrophobicContact CD1-CB 4.45Å; Y390-P404 HydrophobicContact CD1-CG 4.03Å; Y390-P404 HydrophobicContact CD2-CG 4.28Å; Y390-P404 HydrophobicContact CE1-CB 4.46Å; Y390-P404 HydrophobicContact CE1-CG 3.63Å; Y390-P404 HydrophobicContact CE2-CG 3.91Å; Y390-P404 HydrophobicContact CG-CG 4.34Å; P404-S406 VanDerWaalsContact C-N 3.26Å; P404-S406 PolarHBondContact O-N 2.91Å; P404-L407 PolarHBondContact O-N 3.06Å; P404-R408 WeakPolarHBondContact O-CB 3.27Å; P404-R408 PolarHBondContact O-N 3.1Å |
| 405 | S | 79.9 | Confident | 79 | Confident | 48 Ų | 48 | 75.9 Ų | 75.9 | 34% | 0.336 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -70.3 | -24.8 | 179.3 | 71.5 | 0 | 0 | 0 | 0 | 112.7 | H403 K409 | H403-S405 VanDerWaalsContact C-N 3.31Å; H403-S405 PolarHBondContact CE1-OG 3.32Å; H403-S405 VanDerWaalsContact CE1-OG 3.26Å; H403-S405 PolarHBondContact ND1-N 3.26Å; H403-S405 PolarHBondContact ND1-OG 3.05Å; H403-S405 PolarHBondContact O-N 3.24Å; S405-K409 VanDerWaalsContact O-CG 3.32Å; S405-K409 WeakPolarHBondContact O-CG 3.25Å; S405-K409 PolarHBondContact O-N 2.91Å |
| 406 | S | 82.8 | Confident | 78.2 | Confident | 44 Ų | 44 | 73 Ų | 73 | 31% | 0.308 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -74.7 | -44.4 | 174.4 | -57.2 | 0 | 0 | 0 | 0 | 110.5 | H403 P404 R408 K409 H410 | H403-S406 WeakPolarHBondContact O-CB 3.07Å; H403-S406 PolarHBondContact O-N 3.42Å; H403-S406 VanDerWaalsContact O-N 3.08Å; P404-S406 VanDerWaalsContact C-N 3.26Å; P404-S406 PolarHBondContact O-N 2.91Å; S406-R408 PolarHBondContact O-N 3.03Å; S406-K409 WeakPolarHBondContact O-CB 3.35Å; S406-K409 PolarHBondContact O-N 3.18Å; S406-H410 PolarHBondContact O-N 3.38Å |
| 407 | L | 83.1 | Confident | 76.5 | Confident | 33 Ų | 33 | 72.4 Ų | 72.4 | 17% | 0.173 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -57.3 | -47.2 | 170.1 | 178.8 | 65.5 | 0 | 0 | 0 | 111.2 | Y391 C392 Y401 H403 P404 K409 H410 M411 | Y391-L407 WeakPolarHBondContact O-CD1 3.23Å; Y391-L407 WeakPolarHBondContact O-CD2 3.42Å; C392-L407 HydrophobicContact CB-CD1 4.3Å; Y401-L407 HydrophobicContact CD2-CB 4.03Å; Y401-L407 HydrophobicContact CD2-CD1 3.91Å; Y401-L407 HydrophobicContact CE2-CD1 4.24Å; Y401-L407 HydrophobicContact CG-CB 4.38Å; H403-L407 PolarHBondContact O-N 2.81Å; P404-L407 PolarHBondContact O-N 3.06Å; L407-K409 VanDerWaalsContact C-N 3.32Å; L407-K409 PolarHBondContact O-N 2.91Å; L407-H410 CarbonylContact O-C 3.56Å; L407-H410 WeakPolarHBondContact O-CA 3.38Å; L407-H410 WeakPolarHBondContact O-CB 3.42Å; L407-H410 PolarHBondContact O-N 3.3Å; L407-M411 HydrophobicContact CD1-CE 3.44Å; L407-M411 VanDerWaalsContact CD1-CE 3.44Å; L407-M411 HydrophobicContact CD1-SD 4.23Å; L407-M411 HydrophobicContact CG-CE 4.27Å; L407-M411 WeakPolarHBondContact O-CG 3.47Å; L407-M411 PolarHBondContact O-N 3.31Å |
| 408 | R | 83.1 | Confident | 74.3 | Confident | 107 Ų | 107 | 77.3 Ų | 77.3 | 40% | 0.404 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.3 | -32.6 | 178.3 | -168.7 | -179.4 | -63.8 | 140.7 | 3.6 | 113.4 | P404 S406 Y463 | P404-R408 WeakPolarHBondContact O-CB 3.27Å; P404-R408 PolarHBondContact O-N 3.1Å; S406-R408 PolarHBondContact O-N 3.03Å; R408-Y463 HydrophobicContact CG-CE2 3.92Å |
| 409 | K | 82.3 | Confident | 72.4 | Confident | 156 Ų | 156 | 75.2 Ų | 75.2 | 68% | 0.678 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -66.5 | -43.7 | 169.4 | -77.1 | 172.7 | 178.2 | -175.4 | 0 | 110.9 | S405 S406 L407 K412 | S405-K409 VanDerWaalsContact O-CG 3.32Å; S405-K409 WeakPolarHBondContact O-CG 3.25Å; S405-K409 PolarHBondContact O-N 2.91Å; S406-K409 WeakPolarHBondContact O-CB 3.35Å; S406-K409 PolarHBondContact O-N 3.18Å; L407-K409 VanDerWaalsContact C-N 3.32Å; L407-K409 PolarHBondContact O-N 2.91Å; K409-K412 WeakPolarHBondContact O-CB 3.31Å; K409-K412 PolarHBondContact O-N 3.41Å |
| 410 | H | 83.5 | Confident | 70.6 | Confident | 15 Ų | 15 | 75.2 Ų | 75.2 | 7% | 0.069 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -65.2 | -36.3 | 179 | 170.5 | 41 | 0 | 0 | 0 | 113.4 | C397 Y401 S406 L407 K412 V413 H414 | C397-H410 VanDerWaalsContact SG-CE1 3.55Å; C397-H410 PolarHBondContact SG-NE2 3.47Å; C397-H410 VanDerWaalsContact SG-NE2 3.39Å; Y401-H410 HydrophobicContact CE1-CB 4.43Å; Y401-H410 HydrophobicContact CE2-CB 3.86Å; Y401-H410 AromaticContact CE2-CD2 3.41Å; Y401-H410 VanDerWaalsContact CE2-CD2 3.41Å; Y401-H410 WeakPolarHBondContact CE2-CD2 3.46Å; Y401-H410 AromaticContact CE2-CG 3.82Å; Y401-H410 AromaticContact CZ-CD2 3.79Å; Y401-H410 AromaticContact CZ-CG 3.75Å; Y401-H410 WeakPolarHBondContact OH-CB 3.46Å; Y401-H410 PolarHBondContact OH-CD2 3.39Å; S406-H410 PolarHBondContact O-N 3.38Å; L407-H410 CarbonylContact O-C 3.56Å; L407-H410 WeakPolarHBondContact O-CA 3.38Å; L407-H410 WeakPolarHBondContact O-CB 3.42Å; L407-H410 PolarHBondContact O-N 3.3Å; H410-K412 PolarHBondContact O-N 3.47Å; H410-K412 VanDerWaalsContact O-N 3.09Å; H410-V413 VanDerWaalsContact O-CB 3.26Å; H410-V413 WeakPolarHBondContact O-CB 3.33Å; H410-V413 WeakPolarHBondContact O-CG2 3.45Å; H410-V413 PolarHBondContact O-N 2.97Å; H410-H414 AromaticContact CD2-NE2 3.61Å; H410-H414 AromaticContact CE1-CD2 3.81Å; H410-H414 AromaticContact CE1-NE2 2.79Å; H410-H414 PolarHBondContact CE1-NE2 2.89Å; H410-H414 AromaticContact ND1-NE2 3.94Å; H410-H414 AromaticContact NE2-CD2 3.91Å; H410-H414 AromaticContact NE2-NE2 2.47Å; H410-H414 PolarHBondContact NE2-NE2 3.36Å |
| 411 | M | 79.9 | Confident | 68.5 | Low | 41 Ų | 41 | 79 Ų | 79 | 20% | 0.202 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -58.4 | -27 | 176.3 | -62.1 | -51.6 | 83.8 | 0 | 0 | 112.7 | C392 L407 V413 H414 C415 | C392-M411 HydrophobicContact CB-CE 3.93Å; C392-M411 WeakPolarHBondContact SG-CE 3.49Å; L407-M411 HydrophobicContact CD1-CE 3.44Å; L407-M411 VanDerWaalsContact CD1-CE 3.44Å; L407-M411 HydrophobicContact CD1-SD 4.23Å; L407-M411 HydrophobicContact CG-CE 4.27Å; L407-M411 WeakPolarHBondContact O-CG 3.47Å; L407-M411 PolarHBondContact O-N 3.31Å; M411-V413 PolarHBondContact O-N 3.48Å; M411-H414 PolarHBondContact O-N 2.8Å; M411-C415 PolarHBondContact O-N 3.42Å |
| 412 | K | 82.1 | Confident | 66.5 | Low | 119 Ų | 119 | 80.9 Ų | 80.9 | 52% | 0.517 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -71.2 | -6.1 | 174 | -55.9 | -167.6 | 177.1 | -160.5 | 0 | 114.4 | K409 H410 K416 | K409-K412 WeakPolarHBondContact O-CB 3.31Å; K409-K412 PolarHBondContact O-N 3.41Å; H410-K412 PolarHBondContact O-N 3.47Å; H410-K412 VanDerWaalsContact O-N 3.09Å; K412-K416 WeakPolarHBondContact O-CD 3.19Å; K412-K416 VanDerWaalsContact O-CG 3.3Å; K412-K416 WeakPolarHBondContact O-CG 3.41Å |
| 413 | V | 80.9 | Confident | 64.3 | Low | 85 Ų | 85 | 83.9 Ų | 83.9 | 52% | 0.515 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -82.1 | -42.4 | 169.8 | -176 | 0 | 0 | 0 | 0 | 109.9 | H410 M411 K416 S417 | H410-V413 VanDerWaalsContact O-CB 3.26Å; H410-V413 WeakPolarHBondContact O-CB 3.33Å; H410-V413 WeakPolarHBondContact O-CG2 3.45Å; H410-V413 PolarHBondContact O-N 2.97Å; M411-V413 PolarHBondContact O-N 3.48Å; V413-K416 WeakPolarHBondContact O-CA 3.38Å; V413-K416 WeakPolarHBondContact O-CB 3.42Å; V413-K416 PolarHBondContact O-N 2.83Å; V413-S417 PolarHBondContact O-N 3.4Å; V413-S417 VanDerWaalsContact O-N 3.14Å |
| 414 | H | 76 | Confident | 62.3 | Low | 53 Ų | 53 | 88 Ų | 88 | 25% | 0.245 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -67.2 | -38.4 | 177 | -62.9 | -53.3 | 0 | 0 | 0 | 112.2 | C392 V394 C397 H410 M411 K416 S417 | C392-H414 PolarHBondContact SG-NE2 3.14Å; V394-H414 HydrophobicContact CG2-CB 4.16Å; V394-H414 VanDerWaalsContact CG2-CD2 3.5Å; V394-H414 WeakPolarHBondContact CG2-CD2 3.45Å; C397-H414 WeakPolarHBondContact CB-CE1 3.38Å; C397-H414 WeakPolarHBondContact CB-NE2 3.47Å; C397-H414 PolarHBondContact SG-CE1 3.28Å; C397-H414 PolarHBondContact SG-NE2 2.81Å; H410-H414 AromaticContact CD2-NE2 3.61Å; H410-H414 AromaticContact CE1-CD2 3.81Å; H410-H414 AromaticContact CE1-NE2 2.79Å; H410-H414 PolarHBondContact CE1-NE2 2.89Å; H410-H414 AromaticContact ND1-NE2 3.94Å; H410-H414 AromaticContact NE2-CD2 3.91Å; H410-H414 AromaticContact NE2-NE2 2.47Å; H410-H414 PolarHBondContact NE2-NE2 3.36Å; M411-H414 PolarHBondContact O-N 2.8Å; H414-K416 PolarHBondContact O-N 3.13Å; H414-S417 PolarHBondContact O-N 3.34Å; H414-S417 PolarHBondContact O-OG 3.39Å |
| 415 | C | 66.6 | Low | 60.2 | Low | 62 Ų | 62 | 90.5 Ų | 90.5 | 42% | 0.419 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | 21.1 | 168 | -75.1 | 0 | 0 | 0 | 0 | 114.1 | M411 C465 | M411-C415 PolarHBondContact O-N 3.42Å; C415-C465 VanDerWaalsContact CA-SG 3.51Å; C415-C465 WeakPolarHBondContact CB-SG 3.28Å; C415-C465 WeakPolarHBondContact SG-CB 3Å; C415-C465 CovalentContact SG-SG 2.04Å; C415-C465 PolarHBondContact SG-SG 3.18Å |
| 416 | K | 57.6 | Low | 57.7 | Low | 179 Ų | 179 | 94.2 Ų | 94.2 | 78% | 0.778 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.4 | -17.6 | 172.9 | -80.4 | -175.6 | 171.6 | -162.4 | 0 | 113.9 | K412 V413 H414 | K412-K416 WeakPolarHBondContact O-CD 3.19Å; K412-K416 VanDerWaalsContact O-CG 3.3Å; K412-K416 WeakPolarHBondContact O-CG 3.41Å; V413-K416 WeakPolarHBondContact O-CA 3.38Å; V413-K416 WeakPolarHBondContact O-CB 3.42Å; V413-K416 PolarHBondContact O-N 2.83Å; H414-K416 PolarHBondContact O-N 3.13Å |
| 417 | S | 39.2 | Very low | 55.1 | Low | 65 Ų | 65 | 101.6 Ų | 101.6 | 46% | 0.455 | 58% | 0.578 | S | S | . | * | S | Bend | trans | -75.4 | 140.8 | 164.5 | 41.5 | 0 | 0 | 0 | 0 | 110.3 | V413 H414 | V413-S417 PolarHBondContact O-N 3.4Å; V413-S417 VanDerWaalsContact O-N 3.14Å; H414-S417 PolarHBondContact O-N 3.34Å; H414-S417 PolarHBondContact O-OG 3.39Å |
| 418 | P | 35.4 | Very low | 52.7 | Low | 112 Ų | 112 | 109.5 Ų | 109.5 | 73% | 0.727 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -61 | 154.5 | 167.4 | 28.7 | -34.6 | 0 | 0 | 0 | 110.3 | ||
| 419 | P | 37.9 | Very low | 50.1 | Low | 114 Ų | 114 | 108.5 Ų | 108.5 | 74% | 0.74 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 147.2 | 177.7 | 27.4 | -34.9 | 0 | 0 | 0 | 110.8 | ||
| 420 | P | 43.1 | Very low | 47.6 | Very low | 116 Ų | 116 | 106.6 Ų | 106.6 | 75% | 0.753 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -60 | 141.9 | 168 | 28.1 | -34.1 | 0 | 0 | 0 | 109.3 | S422 | P420-S422 PolarHBondContact O-N 3.03Å; P420-S422 VanDerWaalsContact O-N 3.13Å |
| 421 | P | 34.4 | Very low | 45 | Very low | 130 Ų | 130 | 112.3 Ų | 112.3 | 84% | 0.844 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 118.6 | -178.1 | 25 | -33.4 | 0 | 0 | 0 | 110.4 | A423 | P421-A423 PolarHBondContact O-N 3.27Å; P421-A423 VanDerWaalsContact O-N 3.12Å |
| 422 | S | 37 | Very low | 42.7 | Very low | 98 Ų | 98 | 117.7 Ų | 117.7 | 69% | 0.685 | 70% | 0.695 | S | S | * | * | trans | -67.1 | 107.8 | 173.2 | -179.1 | 0 | 0 | 0 | 0 | 109.2 | P420 N424 | P420-S422 PolarHBondContact O-N 3.03Å; P420-S422 VanDerWaalsContact O-N 3.13Å; S422-N424 PolarHBondContact O-N 2.71Å; S422-N424 PolarHBondContact OG-OD1 3.46Å | ||
| 423 | A | 32.7 | Very low | 40.6 | Very low | 100 Ų | 100 | 117 Ų | 117 | 83% | 0.826 | 70% | 0.703 | S | S | * | * | trans | -68.2 | 99.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | P421 | P421-A423 PolarHBondContact O-N 3.27Å; P421-A423 VanDerWaalsContact O-N 3.12Å | ||
| 424 | N | 34.4 | Very low | 38 | Very low | 137 Ų | 137 | 121.2 Ų | 121.2 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | trans | -72.5 | 138.3 | -177.6 | -83.2 | -5.8 | 0 | 0 | 0 | 112.3 | S422 | S422-N424 PolarHBondContact O-N 2.71Å; S422-N424 PolarHBondContact OG-OD1 3.46Å | ||
| 425 | A | 31.4 | Very low | 35.8 | Very low | 86 Ų | 86 | 122.8 Ų | 122.8 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | trans | 29.8 | 121.7 | 145.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 426 | S | 28.2 | Very low | 33.9 | Very low | 127 Ų | 127 | 124.5 Ų | 124.5 | 89% | 0.888 | 77% | 0.771 | S | S | * | * | trans | -120.7 | 133.4 | 144.1 | -70.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 427 | Y | 29.2 | Very low | 33.1 | Very low | 199 Ų | 199 | 121.3 Ų | 121.3 | 78% | 0.78 | 77% | 0.768 | S | S | * | * | trans | -73 | 152.1 | 179.9 | -85.6 | -113.7 | 0 | 0 | 0 | 111.8 | ||||
| 428 | H | 31 | Very low | 32.5 | Very low | 198 Ų | 198 | 125.9 Ų | 125.9 | 92% | 0.917 | 79% | 0.787 | S | S | * | * | -162.5 | 155.4 | 115.2 | -101.5 | -72.2 | 0 | 0 | 0 | 110 | |||||
| 429 | S | 28.9 | Very low | 32.2 | Very low | 87 Ų | 87 | 125.9 Ų | 125.9 | 61% | 0.608 | 79% | 0.789 | S | S | * | * | trans | -117.4 | 150.1 | -162.7 | -50.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 430 | S | 29.4 | Very low | 32.5 | Very low | 116 Ų | 116 | 126.1 Ų | 126.1 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | trans | 68.3 | 145.7 | 163.3 | -48.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 431 | T | 30.2 | Very low | 31.6 | Very low | 135 Ų | 135 | 125.3 Ų | 125.3 | 83% | 0.828 | 79% | 0.794 | S | S | * | * | cis | -147.9 | 158.2 | 28.2 | 48.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 432 | N | 30.5 | Very low | 31.3 | Very low | 153 Ų | 153 | 124.5 Ų | 124.5 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -66.2 | 165.3 | 156.1 | -98 | -12 | 0 | 0 | 0 | 110.7 | ||||
| 433 | P | 38.9 | Very low | 30.9 | Very low | 104 Ų | 104 | 128.5 Ų | 128.5 | 68% | 0.675 | 80% | 0.799 | S | S | * | * | cis | -151.3 | 177.2 | 40.3 | 44.3 | -23.9 | 0 | 0 | 0 | 119.5 | ||||
| 434 | L | 27.1 | Very low | 31.6 | Very low | 175 Ų | 175 | 127.7 Ų | 127.7 | 92% | 0.916 | 79% | 0.786 | S | S | * | * | trans | 46.9 | 124.4 | 144.6 | -69.1 | 162.9 | 0 | 0 | 0 | 121 | ||||
| 435 | G | 28.1 | Very low | 31.4 | Very low | 85 Ų | 85 | 128.5 Ų | 128.5 | 88% | 0.876 | 79% | 0.785 | S | S | * | * | trans | 165.6 | 92.2 | 160.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 436 | A | 26.5 | Very low | 31.3 | Very low | 98 Ų | 98 | 134 Ų | 134 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | -121.4 | 165.7 | 157.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 437 | P | 42.5 | Very low | 31.3 | Very low | 112 Ų | 112 | 134.5 Ų | 134.5 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | cis | -141.6 | -151.9 | 19.5 | 38.2 | -14.6 | 0 | 0 | 0 | 114.6 | ||||
| 438 | L | 26.3 | Very low | 31.3 | Very low | 162 Ų | 162 | 137 Ų | 137 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | trans | 103.1 | 95.7 | 160.8 | -54.7 | -178.4 | 0 | 0 | 0 | 119.1 | ||||
| 439 | S | 28.9 | Very low | 31.3 | Very low | 111 Ų | 111 | 132.9 Ų | 132.9 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | -79.2 | 174.5 | 140.8 | -26.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 440 | P | 43.3 | Very low | 31.3 | Very low | 119 Ų | 119 | 133.2 Ų | 133.2 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | cis | -151.6 | 179.6 | 48.4 | 43.2 | -22.3 | 0 | 0 | 0 | 118.6 | ||||
| 441 | A | 25.8 | Very low | 31.2 | Very low | 99 Ų | 99 | 134.5 Ų | 134.5 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | 66.4 | 149.1 | 161.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 442 | S | 27.7 | Very low | 31.2 | Very low | 114 Ų | 114 | 135.4 Ų | 135.4 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | cis | -149.4 | 149.2 | 20.4 | 54.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 443 | E | 27.9 | Very low | 31 | Very low | 181 Ų | 181 | 133.4 Ų | 133.4 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | trans | -80.2 | -165 | 160.7 | -54.1 | -158.9 | 118.2 | 0 | 0 | 111.1 | ||||
| 444 | P | 47.8 | Very low | 30.8 | Very low | 84 Ų | 84 | 134.3 Ų | 134.3 | 55% | 0.545 | 79% | 0.79 | S | S | . | * | cis | -139.7 | 164.6 | -8 | 36 | -15.4 | 0 | 0 | 0 | 117.9 | ||||
| 445 | H | 29.6 | Very low | 31 | Very low | 153 Ų | 153 | 134.6 Ų | 134.6 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | 167.2 | 130.3 | 105.9 | -94.3 | -39.1 | 0 | 0 | 0 | 118.2 | |||||
| 446 | R | 30 | Very low | 31.3 | Very low | 201 Ų | 201 | 136.6 Ų | 136.6 | 76% | 0.758 | 78% | 0.782 | S | S | * | * | trans | 72.8 | 107 | 134.2 | -73.1 | 177.7 | 171.4 | -173.2 | -1.4 | 123.4 | ||||
| 447 | N | 28.6 | Very low | 31.7 | Very low | 139 Ų | 139 | 137.4 Ų | 137.4 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | 70.7 | 112.1 | 118 | -60 | 8.3 | 0 | 0 | 0 | 121.8 | |||||
| 448 | R | 28.8 | Very low | 31.2 | Very low | 252 Ų | 252 | 137.9 Ų | 137.9 | 95% | 0.951 | 77% | 0.773 | S | S | * | * | -153.5 | 169 | 96.7 | -114.1 | -179.2 | 178 | -169.1 | -1.1 | 111.9 | |||||
| 449 | S | 29.8 | Very low | 31.7 | Very low | 110 Ų | 110 | 135.1 Ų | 135.1 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | trans | -124 | -180 | -155.4 | -44.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 450 | A | 28.8 | Very low | 32.1 | Very low | 94 Ų | 94 | 135 Ų | 135 | 78% | 0.777 | 75% | 0.749 | S | S | * | * | trans | 79.3 | 116.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 451 | N | 28.8 | Very low | 31.9 | Very low | 143 Ų | 143 | 136.7 Ų | 136.7 | 77% | 0.765 | 75% | 0.747 | S | S | * | * | cis | 67.6 | 128.5 | 28.9 | -139.2 | 12.6 | 0 | 0 | 0 | 111.2 | ||||
| 452 | L | 28.8 | Very low | 32.2 | Very low | 154 Ų | 154 | 141 Ų | 141 | 81% | 0.806 | 74% | 0.742 | S | S | * | * | cis | -132.9 | 164 | 25.9 | -53.6 | 98.3 | 0 | 0 | 0 | 114.6 | ||||
| 453 | S | 26.6 | Very low | 32.7 | Very low | 112 Ų | 112 | 141.7 Ų | 141.7 | 78% | 0.783 | 73% | 0.728 | S | S | * | * | trans | -109.8 | 131.7 | 172.1 | -68 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 454 | P | 35 | Very low | 33.2 | Very low | 123 Ų | 123 | 138.3 Ų | 138.3 | 80% | 0.799 | 72% | 0.719 | S | S | * | * | trans | -69.3 | 134.9 | 173.2 | -19.6 | 32.8 | 0 | 0 | 0 | 112.7 | V456 | P454-V456 PolarHBondContact O-N 2.98Š| ||
| 455 | Q | 31.8 | Very low | 32.5 | Very low | 180 Ų | 180 | 137.8 Ų | 137.8 | 84% | 0.841 | 72% | 0.717 | S | S | * | * | trans | -61.3 | 120.5 | 179 | -71.3 | -74.2 | 1.7 | 0 | 0 | 112.2 | T457 | Q455-T457 PolarHBondContact O-N 2.98Š| ||
| 456 | V | 33.5 | Very low | 32.6 | Very low | 127 Ų | 127 | 140 Ų | 140 | 77% | 0.77 | 73% | 0.728 | S | S | * | * | trans | -82.3 | 97.9 | 173.4 | -179.8 | 0 | 0 | 0 | 0 | 109.2 | P454 | P454-V456 PolarHBondContact O-N 2.98Š| ||
| 457 | T | 34.7 | Very low | 32.8 | Very low | 116 Ų | 116 | 134 Ų | 134 | 71% | 0.712 | 73% | 0.729 | S | S | * | * | trans | -58.4 | 141.7 | 176.9 | 45.3 | 0 | 0 | 0 | 0 | 112.1 | Q455 L459 | Q455-T457 PolarHBondContact O-N 2.98Å; T457-L459 PolarHBondContact O-N 2.77Å | ||
| 458 | N | 32.8 | Very low | 33 | Very low | 122 Ų | 122 | 132.6 Ų | 132.6 | 65% | 0.652 | 73% | 0.73 | S | S | * | * | trans | -63.3 | 119.1 | -165.8 | -171.9 | -8.1 | 0 | 0 | 0 | 112.4 | N460 | N458-N460 WeakPolarHBondContact OD1-CB 2.88Å; N458-N460 PolarHBondContact OD1-N 2.68Å | ||
| 459 | L | 36 | Very low | 33 | Very low | 103 Ų | 103 | 124.8 Ų | 124.8 | 54% | 0.539 | 73% | 0.727 | S | S | . | * | trans | -114.1 | 6.1 | 179.7 | -106.1 | 161.6 | 0 | 0 | 0 | 113.1 | T457 | T457-L459 PolarHBondContact O-N 2.77Š| ||
| 460 | N | 37.7 | Very low | 32.8 | Very low | 109 Ų | 109 | 123 Ų | 123 | 58% | 0.583 | 73% | 0.726 | S | S | * | * | trans | -87.2 | -21 | -169.2 | -83.1 | 18.1 | 0 | 0 | 0 | 114.9 | N458 W462 | N458-N460 WeakPolarHBondContact OD1-CB 2.88Å; N458-N460 PolarHBondContact OD1-N 2.68Å; N460-W462 VanDerWaalsContact C-N 3.27Å; N460-W462 PolarHBondContact O-N 2.91Å; N460-W462 VanDerWaalsContact O-N 3.11Å | ||
| 461 | E | 38.6 | Very low | 33.3 | Very low | 155 Ų | 155 | 124 Ų | 124 | 72% | 0.724 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -17.7 | -168.3 | -76.3 | -172 | 141.2 | 0 | 0 | 116.4 | ||
| 462 | W | 32.9 | Very low | 33.4 | Very low | 190 Ų | 190 | 123.8 Ų | 123.8 | 72% | 0.72 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.8 | 8.6 | -161.9 | -80.1 | 84.4 | 0 | 0 | 0 | 116.9 | N460 | N460-W462 VanDerWaalsContact C-N 3.27Å; N460-W462 PolarHBondContact O-N 2.91Å; N460-W462 VanDerWaalsContact O-N 3.11Å |
| 463 | Y | 37.8 | Very low | 33.3 | Very low | 128 Ų | 128 | 125.1 Ų | 125.1 | 50% | 0.502 | 73% | 0.725 | S | S | . | * | trans | -140 | 57 | 177.1 | -77.1 | -84.2 | 0 | 0 | 0 | 113.1 | R408 C465 | R408-Y463 HydrophobicContact CG-CE2 3.92Å; Y463-C465 PolarHBondContact O-N 3.29Å | ||
| 464 | V | 38 | Very low | 33.3 | Very low | 109 Ų | 109 | 126.6 Ų | 126.6 | 66% | 0.661 | 72% | 0.724 | S | S | * | * | trans | -73.7 | 105.5 | 163.6 | 179.4 | 0 | 0 | 0 | 0 | 108.7 | Q466 | V464-Q466 PolarHBondContact O-N 2.61Š| ||
| 465 | C | 33.5 | Very low | 32.9 | Very low | 74 Ų | 74 | 129.4 Ų | 129.4 | 50% | 0.5 | 73% | 0.726 | S | S | . | * | trans | -68.2 | 120.1 | 154.8 | -120.3 | 0 | 0 | 0 | 0 | 106.5 | C415 Y463 G467 | C415-C465 VanDerWaalsContact CA-SG 3.51Å; C415-C465 WeakPolarHBondContact CB-SG 3.28Å; C415-C465 WeakPolarHBondContact SG-CB 3Å; C415-C465 CovalentContact SG-SG 2.04Å; C415-C465 PolarHBondContact SG-SG 3.18Å; Y463-C465 PolarHBondContact O-N 3.29Å; C465-G467 PolarHBondContact O-N 3.4Å | ||
| 466 | Q | 32.7 | Very low | 32.7 | Very low | 199 Ų | 199 | 126.7 Ų | 126.7 | 93% | 0.93 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -62.2 | 119.3 | -170.1 | -70.9 | -173.9 | -8.2 | 0 | 0 | 111.5 | V464 | V464-Q466 PolarHBondContact O-N 2.61Š|
| 467 | G | 33.9 | Very low | 32.5 | Very low | 76 Ų | 76 | 126.7 Ų | 126.7 | 78% | 0.784 | 73% | 0.725 | S | S | * | * | trans | 177.4 | 24 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | C465 | C465-G467 PolarHBondContact O-N 3.4Š| ||
| 468 | S | 32.1 | Very low | 32 | Very low | 109 Ų | 109 | 126.1 Ų | 126.1 | 76% | 0.762 | 73% | 0.725 | S | S | * | * | trans | -155.3 | 99 | 177.6 | 59.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 469 | G | 29 | Very low | 31.7 | Very low | 87 Ų | 87 | 125.7 Ų | 125.7 | 90% | 0.897 | 73% | 0.732 | S | S | * | * | trans | -107.7 | 61.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 470 | G | 25.1 | Very low | 31.1 | Very low | 72 Ų | 72 | 127.6 Ų | 127.6 | 74% | 0.742 | 74% | 0.743 | S | S | * | * | trans | 63.5 | -170.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 471 | P | 39.7 | Very low | 30.6 | Very low | 115 Ų | 115 | 129 Ų | 129 | 75% | 0.747 | 76% | 0.755 | S | S | * | * | cis | -118.5 | 165.8 | -10 | 39.7 | -27.7 | 0 | 0 | 0 | 114.4 | ||||
| 472 | N | 31.3 | Very low | 30.6 | Very low | 140 Ų | 140 | 127.4 Ų | 127.4 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | trans | 44.4 | 117.3 | 154.9 | -59.9 | -7 | 0 | 0 | 0 | 120.8 | ||||
| 473 | H | 27.1 | Very low | 30.2 | Very low | 181 Ų | 181 | 124.3 Ų | 124.3 | 84% | 0.838 | 76% | 0.76 | S | S | * | * | -152.7 | 141.5 | 99.3 | -122.9 | -89.3 | 0 | 0 | 0 | 112.1 | |||||
| 474 | L | 26 | Very low | 30 | Very low | 143 Ų | 143 | 123.8 Ų | 123.8 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | trans | -79.4 | 143 | 169.2 | -87.6 | 65.2 | 0 | 0 | 0 | 109.5 | ||||
| 475 | H | 26.9 | Very low | 29.3 | Very low | 183 Ų | 183 | 126 Ų | 126 | 85% | 0.847 | 78% | 0.783 | S | S | * | * | trans | -152.5 | 110.5 | 139.5 | -99.6 | -67 | 0 | 0 | 0 | 110.3 | ||||
| 476 | T | 26.8 | Very low | 29 | Very low | 122 Ų | 122 | 127.3 Ų | 127.3 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | -89.1 | 161.4 | 152.1 | 48.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 477 | P | 29 | Very low | 28.8 | Very low | 128 Ų | 128 | 126.2 Ų | 126.2 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | -117.5 | 157.5 | 128.3 | 34.4 | -32.2 | 0 | 0 | 0 | 111 | |||||
| 478 | S | 24.9 | Very low | 28.5 | Very low | 103 Ų | 103 | 130.9 Ų | 130.9 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | trans | -100.6 | 149.1 | 175.3 | -161.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 479 | S | 26.4 | Very low | 28.4 | Very low | 114 Ų | 114 | 131.3 Ų | 131.3 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -156.1 | 115.4 | 160.2 | 59.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 480 | D | 24.4 | Very low | 28.2 | Very low | 143 Ų | 143 | 135.1 Ų | 135.1 | 77% | 0.765 | 79% | 0.785 | S | S | * | * | trans | -74.9 | -177.6 | -179.1 | -59.5 | -94.9 | 0 | 0 | 0 | 113.7 | ||||
| 481 | V | 26.2 | Very low | 28.4 | Very low | 138 Ų | 138 | 135.2 Ų | 135.2 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | trans | 109.9 | 122.9 | 173.1 | -179.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 482 | P | 38 | Very low | 27.8 | Very low | 122 Ų | 122 | 137.4 Ų | 137.4 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | trans | -91.2 | 149.7 | -167.9 | 35.8 | -36.2 | 0 | 0 | 0 | 113.8 | ||||
| 483 | T | 25.6 | Very low | 27.7 | Very low | 124 Ų | 124 | 140.9 Ų | 140.9 | 76% | 0.761 | 78% | 0.775 | S | S | * | * | trans | -121.5 | 119.2 | 160.7 | 50.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 484 | S | 32.9 | Very low | 27.8 | Very low | 117 Ų | 117 | 139.7 Ų | 139.7 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -68.7 | 127.5 | 161.5 | 50.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 485 | D | 24.1 | Very low | 27.9 | Very low | 155 Ų | 155 | 138.2 Ų | 138.2 | 83% | 0.829 | 78% | 0.777 | S | S | * | * | trans | -123.6 | 130.4 | 163.2 | -94.4 | -49.7 | 0 | 0 | 0 | 110.3 | ||||
| 486 | S | 27.3 | Very low | 27.9 | Very low | 102 Ų | 102 | 136.4 Ų | 136.4 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | trans | -93.3 | 121.6 | -179.7 | 46.8 | 0 | 0 | 0 | 0 | 110.8 | E488 | S486-E488 PolarHBondContact O-N 3.12Š| ||
| 487 | D | 27.5 | Very low | 28.4 | Very low | 177 Ų | 177 | 136 Ų | 136 | 95% | 0.947 | 77% | 0.773 | S | S | * | * | trans | -93 | 69.8 | 163.2 | -84.8 | -36.7 | 0 | 0 | 0 | 110.1 | ||||
| 488 | E | 27.8 | Very low | 28.4 | Very low | 174 Ų | 174 | 141.4 Ų | 141.4 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | trans | -88.5 | 143.1 | 145.7 | -66.3 | -160.4 | 145.5 | 0 | 0 | 106.9 | S486 | S486-E488 PolarHBondContact O-N 3.12Š| ||
| 489 | E | 29.6 | Very low | 28.6 | Very low | 117 Ų | 117 | 142.8 Ų | 142.8 | 55% | 0.547 | 78% | 0.781 | S | S | . | * | cis | -137.5 | 167.8 | 7.4 | -101.9 | -123 | 78.7 | 0 | 0 | 109.6 | S491 | E489-S491 WeakPolarHBondContact OE1-CB 3.44Å; E489-S491 PolarHBondContact OE1-N 2.74Å; E489-S491 PolarHBondContact OE1-OG 3.08Å | ||
| 490 | D | 25.7 | Very low | 28.9 | Very low | 167 Ų | 167 | 146.1 Ų | 146.1 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | -160.2 | 59 | 127 | -138 | -7.8 | 0 | 0 | 0 | 110.2 | |||||
| 491 | S | 28.8 | Very low | 29.2 | Very low | 75 Ų | 75 | 150.9 Ų | 150.9 | 52% | 0.524 | 81% | 0.81 | S | S | . | * | trans | -69.4 | 129.6 | 150.1 | -44.4 | 0 | 0 | 0 | 0 | 106.6 | E489 | E489-S491 WeakPolarHBondContact OE1-CB 3.44Å; E489-S491 PolarHBondContact OE1-N 2.74Å; E489-S491 PolarHBondContact OE1-OG 3.08Å | ||
| 492 | F | 27.4 | Very low | 29.4 | Very low | 160 Ų | 160 | 151.5 Ų | 151.5 | 70% | 0.702 | 81% | 0.809 | S | S | * | * | -174.4 | 121.3 | 126.8 | -99 | -65.5 | 0 | 0 | 0 | 112.6 | |||||
| 493 | R | 29.8 | Very low | 28.9 | Very low | 213 Ų | 213 | 153.1 Ų | 153.1 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | 7.6 | 136.9 | 146.3 | -59.3 | 175.3 | 179.6 | 170.1 | -1.2 | 118.6 | S495 | R493-S495 PolarHBondContact O-N 2.66Š| ||
| 494 | N | 28.6 | Very low | 29.1 | Very low | 156 Ų | 156 | 154.7 Ų | 154.7 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | trans | -53.9 | 132.2 | 147.7 | -68.1 | -10.3 | 0 | 0 | 0 | 109.7 | ||||
| 495 | S | 27.7 | Very low | 28.9 | Very low | 113 Ų | 113 | 156.9 Ų | 156.9 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | trans | -122.3 | 103.6 | 160.4 | 52.3 | 0 | 0 | 0 | 0 | 108.1 | R493 | R493-S495 PolarHBondContact O-N 2.66Š| ||
| 496 | D | 28.3 | Very low | 29.2 | Very low | 144 Ų | 144 | 157 Ų | 157 | 77% | 0.77 | 81% | 0.811 | S | S | * | * | trans | -66.7 | 141.9 | 174.6 | -72.2 | -68.3 | 0 | 0 | 0 | 110.8 | ||||
| 497 | P | 35.6 | Very low | 29.3 | Very low | 115 Ų | 115 | 160.7 Ų | 160.7 | 75% | 0.747 | 82% | 0.817 | S | S | * | * | trans | -87.6 | 146.4 | -177.7 | 33.7 | -34.4 | 0 | 0 | 0 | 113 | ||||
| 498 | R | 28.9 | Very low | 29.4 | Very low | 241 Ų | 241 | 159.5 Ų | 159.5 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | trans | 79.4 | 143.3 | -176.1 | -56.8 | 174.5 | 165.5 | 145.2 | -4.5 | 112.9 | ||||
| 499 | T | 30.6 | Very low | 29.6 | Very low | 131 Ų | 131 | 158.4 Ų | 158.4 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | cis | -132.2 | 146 | 26.7 | -57.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 500 | M | 32.7 | Very low | 29.6 | Very low | 184 Ų | 184 | 161.8 Ų | 161.8 | 91% | 0.906 | 83% | 0.83 | S | S | * | * | trans | -99.5 | 121.4 | 158.7 | -83.5 | -177.4 | 162.9 | 0 | 0 | 109 | ||||
| 501 | L | 30.8 | Very low | 29.9 | Very low | 243 Ų | 243 | 161.4 Ų | 161.4 | 100% | 1.272 | 82% | 0.824 | S | S | * | * | trans | -173.8 | 0 | 146 | -105.7 | 161.9 | 0 | 0 | 0 | 108.6 |
Retrieved 501 of 501 residues in 70.1 ms
(Link to these results)