| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.3 | Very low | 42.9 | Very low | 232 Ų | 232 | 152.2 Ų | 152.2 | 100% | 1.143 | 83% | 0.833 | S | S | * | * | 0 | 153.4 | 0 | -77.6 | 116.3 | 127.9 | 0 | 0 | 109.6 | |||||
| 2 | K | 40.9 | Very low | 42.7 | Very low | 185 Ų | 185 | 156.4 Ų | 156.4 | 80% | 0.804 | 84% | 0.837 | S | S | * | * | trans | 30.6 | 135 | 135.7 | -60.5 | -169.7 | 173.1 | -177.6 | 0 | 119.6 | ||||
| 3 | N | 40.7 | Very low | 42.2 | Very low | 134 Ų | 134 | 159.5 Ų | 159.5 | 72% | 0.717 | 84% | 0.843 | S | S | * | * | cis | -147.8 | 145.9 | -5.8 | -79.3 | -25.5 | 0 | 0 | 0 | 107 | ||||
| 4 | Q | 49.9 | Very low | 41.9 | Very low | 168 Ų | 168 | 155.9 Ų | 155.9 | 79% | 0.785 | 84% | 0.837 | S | S | * | * | 29.8 | 123.6 | 92.8 | -76.1 | -166.8 | 25.7 | 0 | 0 | 117.4 | |||||
| 5 | D | 51.6 | Low | 41.6 | Very low | 161 Ų | 161 | 154.1 Ų | 154.1 | 86% | 0.861 | 83% | 0.828 | S | S | * | * | -151.8 | 172.9 | 121.6 | -138.5 | -41 | 0 | 0 | 0 | 111.4 | |||||
| 6 | K | 55.8 | Low | 42.3 | Very low | 163 Ų | 163 | 151.8 Ų | 151.8 | 71% | 0.709 | 82% | 0.823 | S | S | * | * | trans | -135.4 | 151 | -168.9 | -62.8 | 173.5 | 178.4 | 174.7 | 0 | 113.4 | ||||
| 7 | K | 49.3 | Very low | 42 | Very low | 194 Ų | 194 | 154.1 Ų | 154.1 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | trans | 152 | 163.2 | 147.4 | -88.9 | 160.5 | -178.6 | 176.2 | 0 | 109.3 | ||||
| 8 | N | 38.3 | Very low | 41.6 | Very low | 157 Ų | 157 | 152.1 Ų | 152.1 | 84% | 0.84 | 82% | 0.824 | S | S | * | * | cis | 161.1 | 147.3 | -29.5 | -101.5 | 18.8 | 0 | 0 | 0 | 105.6 | ||||
| 9 | G | 34.4 | Very low | 41.5 | Very low | 72 Ų | 72 | 150.1 Ų | 150.1 | 74% | 0.742 | 82% | 0.823 | S | S | * | * | trans | 102.5 | 127.8 | -177 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 10 | A | 35.3 | Very low | 42 | Very low | 107 Ų | 107 | 149.4 Ų | 149.4 | 88% | 0.884 | 83% | 0.825 | S | S | * | * | cis | 68 | 135.9 | 25.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 11 | A | 38 | Very low | 41.6 | Very low | 101 Ų | 101 | 146 Ų | 146 | 84% | 0.835 | 83% | 0.825 | S | S | * | * | cis | -145.1 | 176.4 | 9.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 12 | K | 40.4 | Very low | 41.7 | Very low | 203 Ų | 203 | 144.1 Ų | 144.1 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | trans | -88.2 | 131.1 | 174 | -70.6 | -179.1 | 177.3 | 179.2 | 0 | 112.2 | ||||
| 13 | Q | 37.2 | Very low | 42.4 | Very low | 196 Ų | 196 | 140.6 Ų | 140.6 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | trans | 177.2 | 156.2 | 148.7 | -99 | 162.8 | 48.5 | 0 | 0 | 106.4 | ||||
| 14 | S | 37.7 | Very low | 42.2 | Very low | 109 Ų | 109 | 142.1 Ų | 142.1 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | cis | -143.8 | -178.3 | 13.6 | 54.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 15 | N | 37.6 | Very low | 41.6 | Very low | 130 Ų | 130 | 138 Ų | 138 | 70% | 0.695 | 81% | 0.806 | S | S | * | * | trans | -83.6 | 161.5 | 172.3 | -157.6 | 12.9 | 0 | 0 | 0 | 110.5 | ||||
| 16 | P | 52 | Low | 40.7 | Very low | 116 Ų | 116 | 133.6 Ų | 133.6 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | -147.4 | 162.9 | 97.8 | 38.5 | -23.2 | 0 | 0 | 0 | 116.4 | |||||
| 17 | K | 37.4 | Very low | 40.7 | Very low | 192 Ų | 192 | 131.1 Ų | 131.1 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | -82.2 | 142.7 | 164.6 | -79.1 | -179.4 | 170.9 | -179.4 | 0 | 111.3 | ||||
| 18 | S | 35.6 | Very low | 40.1 | Very low | 117 Ų | 117 | 131.1 Ų | 131.1 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -150.5 | 139.5 | 150 | 54.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 19 | S | 38.9 | Very low | 39.9 | Very low | 115 Ų | 115 | 127.1 Ų | 127.1 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -138.3 | 175.4 | 173.8 | -53.9 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 20 | P | 52.2 | Low | 39.9 | Very low | 135 Ų | 135 | 128.7 Ų | 128.7 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | cis | -132 | -174.3 | 7 | 42.1 | -24.9 | 0 | 0 | 0 | 114.5 | ||||
| 21 | G | 32.6 | Very low | 40.1 | Very low | 79 Ų | 79 | 132.7 Ų | 132.7 | 81% | 0.814 | 81% | 0.805 | S | S | * | * | trans | -171.9 | 105.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 22 | Q | 40.5 | Very low | 39.8 | Very low | 192 Ų | 192 | 137.4 Ų | 137.4 | 90% | 0.897 | 81% | 0.81 | S | S | * | * | trans | -127.6 | 160.4 | 163.3 | -116.6 | -176.1 | -34.8 | 0 | 0 | 106.2 | ||||
| 23 | P | 54 | Low | 39.6 | Very low | 112 Ų | 112 | 138.7 Ų | 138.7 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | cis | -131 | -157.6 | 47.8 | 34.4 | -10.9 | 0 | 0 | 0 | 111.7 | ||||
| 24 | E | 37.2 | Very low | 40.2 | Very low | 166 Ų | 166 | 134.6 Ų | 134.6 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | cis | -163.1 | 162.8 | 30.5 | -128.4 | -64.9 | 71 | 0 | 0 | 111.6 | ||||
| 25 | A | 38.3 | Very low | 40.1 | Very low | 80 Ų | 80 | 133.8 Ų | 133.8 | 66% | 0.661 | 79% | 0.794 | S | S | * | * | trans | 49.4 | 142 | 155.4 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 26 | G | 31.6 | Very low | 40 | Very low | 70 Ų | 70 | 136.3 Ų | 136.3 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | trans | -101.2 | -137.5 | 159 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 27 | P | 57.1 | Low | 39.1 | Very low | 110 Ų | 110 | 135.2 Ų | 135.2 | 71% | 0.714 | 80% | 0.802 | S | S | * | * | cis | -142.7 | -179 | 7.3 | 44.4 | -25.7 | 0 | 0 | 0 | 117.2 | ||||
| 28 | E | 35.9 | Very low | 38.9 | Very low | 195 Ų | 195 | 130.2 Ų | 130.2 | 91% | 0.911 | 80% | 0.797 | S | S | * | * | trans | 61.2 | 160.2 | 144.6 | -77.6 | 174.6 | 144.1 | 0 | 0 | 124.3 | ||||
| 29 | G | 33.6 | Very low | 39.7 | Very low | 73 Ų | 73 | 130.8 Ų | 130.8 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | trans | 114.2 | 66.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 30 | A | 34.8 | Very low | 39.2 | Very low | 105 Ų | 105 | 129.2 Ų | 129.2 | 87% | 0.868 | 79% | 0.792 | S | S | * | * | 88.2 | 144.9 | 78.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 31 | Q | 39.3 | Very low | 38.5 | Very low | 191 Ų | 191 | 127 Ų | 127 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | trans | -92.6 | 154.1 | -175.2 | -59.6 | 161.2 | -103.2 | 0 | 0 | 111.6 | ||||
| 32 | E | 31.5 | Very low | 38.6 | Very low | 200 Ų | 200 | 132.4 Ų | 132.4 | 94% | 0.935 | 79% | 0.789 | S | S | * | * | -168.5 | 165 | 123 | -111.2 | 174.8 | -172.2 | 0 | 0 | 114.3 | |||||
| 33 | R | 36.5 | Very low | 38.5 | Very low | 230 Ų | 230 | 127.5 Ų | 127.5 | 87% | 0.868 | 78% | 0.782 | S | S | * | * | trans | -143.7 | 144.3 | 176.6 | -165.1 | -156.2 | -173.2 | -166.8 | 4.9 | 106.2 | ||||
| 34 | P | 50.8 | Low | 37.6 | Very low | 110 Ų | 110 | 129.9 Ų | 129.9 | 71% | 0.714 | 78% | 0.783 | S | S | * | * | -154.9 | 162.5 | 110.1 | 38.2 | -21.5 | 0 | 0 | 0 | 116.1 | |||||
| 35 | S | 35 | Very low | 37.2 | Very low | 92 Ų | 92 | 124.7 Ų | 124.7 | 64% | 0.643 | 77% | 0.774 | S | S | * | * | trans | 63.5 | 156.4 | 149.7 | -65.5 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 36 | Q | 36 | Very low | 37.8 | Very low | 182 Ų | 182 | 126.8 Ų | 126.8 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | cis | -162.6 | 175.8 | -8.1 | -116.2 | 165.7 | -5.2 | 0 | 0 | 107.1 | ||||
| 37 | A | 32.2 | Very low | 37.9 | Very low | 93 Ų | 93 | 126.9 Ų | 126.9 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | cis | -146.8 | -146.4 | 6.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 38 | A | 33 | Very low | 36.8 | Very low | 88 Ų | 88 | 127.1 Ų | 127.1 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -140.1 | -150.7 | 162.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 39 | P | 51.9 | Low | 36.7 | Very low | 128 Ų | 128 | 122.3 Ų | 122.3 | 83% | 0.831 | 77% | 0.774 | S | S | * | * | cis | -84.1 | -153.5 | -2.1 | 39.9 | -38.7 | 0 | 0 | 0 | 111.3 | ||||
| 40 | A | 30.2 | Very low | 36.7 | Very low | 83 Ų | 83 | 128 Ų | 128 | 69% | 0.686 | 78% | 0.781 | S | S | * | * | cis | -151.3 | 169 | 4.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 41 | A | 36 | Very low | 36.5 | Very low | 88 Ų | 88 | 127.3 Ų | 127.3 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | cis | 78.6 | 149.1 | 15.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 42 | E | 36 | Very low | 37.2 | Very low | 193 Ų | 193 | 123.4 Ų | 123.4 | 90% | 0.902 | 77% | 0.766 | S | S | * | * | cis | -94.1 | -142.4 | -9.6 | -66.1 | 176.3 | 131 | 0 | 0 | 108.9 | ||||
| 43 | A | 38.5 | Very low | 37.2 | Very low | 89 Ų | 89 | 125.5 Ų | 125.5 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | cis | -160.5 | 165.4 | -8.5 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 44 | E | 33.9 | Very low | 37.3 | Very low | 162 Ų | 162 | 124.1 Ų | 124.1 | 76% | 0.757 | 77% | 0.766 | S | S | * | * | cis | -156.7 | 173.1 | -11.3 | -136.8 | -61.3 | 80 | 0 | 0 | 107.5 | ||||
| 45 | G | 30.2 | Very low | 36.8 | Very low | 56 Ų | 56 | 124.5 Ų | 124.5 | 58% | 0.577 | 77% | 0.768 | S | S | * | * | trans | -92.5 | -127.9 | 161.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 46 | P | 50.2 | Low | 36.8 | Very low | 124 Ų | 124 | 129.5 Ų | 129.5 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | cis | -110.5 | -178 | -6.8 | 40.8 | -30.4 | 0 | 0 | 0 | 111.4 | ||||
| 47 | G | 34 | Very low | 36.5 | Very low | 72 Ų | 72 | 124.4 Ų | 124.4 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | cis | 172.6 | 149.8 | -2.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 48 | S | 32.9 | Very low | 36.4 | Very low | 116 Ų | 116 | 124.6 Ų | 124.6 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | 147.2 | 144.3 | 89.9 | -177.1 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 49 | S | 34.7 | Very low | 36.4 | Very low | 94 Ų | 94 | 128.8 Ų | 128.8 | 66% | 0.657 | 78% | 0.784 | S | S | * | * | cis | -162.5 | 161.4 | -12.3 | -94.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 50 | Q | 32.5 | Very low | 35.4 | Very low | 193 Ų | 193 | 127 Ų | 127 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | trans | 68.1 | 139.4 | 156.1 | -72 | 172.3 | 8.4 | 0 | 0 | 120.4 | ||||
| 51 | A | 30.8 | Very low | 35.7 | Very low | 89 Ų | 89 | 132.6 Ų | 132.6 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | trans | -120.2 | -159.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 52 | P | 54.6 | Low | 35.6 | Very low | 109 Ų | 109 | 134.6 Ų | 134.6 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | -125.2 | 157.9 | -52 | 31.1 | -17.1 | 0 | 0 | 0 | 112.6 | |||||
| 53 | R | 31.6 | Very low | 35.9 | Very low | 245 Ų | 245 | 129.6 Ų | 129.6 | 93% | 0.925 | 78% | 0.783 | S | S | * | * | trans | 175.2 | 152 | 133.9 | -96.5 | 156.9 | -170.2 | -141.6 | 1.3 | 112.1 | ||||
| 54 | K | 38.8 | Very low | 36.2 | Very low | 201 Ų | 201 | 134.6 Ų | 134.6 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | trans | -72.3 | 152.3 | 165.5 | -83 | -173.9 | 171 | -176.2 | 0 | 110.2 | ||||
| 55 | P | 40.3 | Very low | 36.7 | Very low | 117 Ų | 117 | 132.7 Ų | 132.7 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | -129.3 | -161.9 | 90.1 | 38.6 | -29.1 | 0 | 0 | 0 | 114 | |||||
| 56 | E | 34.1 | Very low | 37.6 | Very low | 197 Ų | 197 | 132.1 Ų | 132.1 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | trans | -75.3 | 159.1 | -167.3 | -63.8 | 142.5 | 104.9 | 0 | 0 | 115.3 | ||||
| 57 | G | 29.1 | Very low | 37.7 | Very low | 75 Ų | 75 | 129.8 Ų | 129.8 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | -166.9 | 26.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 58 | A | 31.2 | Very low | 38.4 | Very low | 97 Ų | 97 | 133.8 Ų | 133.8 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | trans | 62.4 | 158.5 | 160.4 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 59 | Q | 32 | Very low | 39.2 | Very low | 177 Ų | 177 | 137 Ų | 137 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | trans | 69.2 | 79.3 | 164.4 | -54.6 | -159.9 | 8.9 | 0 | 0 | 120.1 | ||||
| 60 | A | 32 | Very low | 40.6 | Very low | 91 Ų | 91 | 138.2 Ų | 138.2 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | trans | -79.8 | 136.6 | 145.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 61 | K | 36.9 | Very low | 42.6 | Very low | 199 Ų | 199 | 133.8 Ų | 133.8 | 87% | 0.865 | 76% | 0.764 | S | S | * | * | trans | -102.3 | 80.9 | 165.8 | -84 | -170.8 | 175.3 | -179.6 | 0 | 110.3 | ||||
| 62 | T | 34 | Very low | 44.8 | Very low | 131 Ų | 131 | 133 Ų | 133 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | -87.7 | 105.5 | 169.6 | -42.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 63 | A | 40.6 | Very low | 46.1 | Very low | 87 Ų | 87 | 133.1 Ų | 133.1 | 72% | 0.719 | 75% | 0.745 | S | S | * | * | trans | -78.6 | 160.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 64 | Q | 46.6 | Very low | 48.4 | Very low | 195 Ų | 195 | 126.6 Ų | 126.6 | 91% | 0.911 | 73% | 0.725 | S | S | * | * | trans | 66.1 | 66.3 | 172.6 | -58.7 | -175.2 | -13.3 | 0 | 0 | 116.6 | ||||
| 65 | S | 43.2 | Very low | 50.6 | Low | 121 Ų | 121 | 121.6 Ų | 121.6 | 85% | 0.846 | 71% | 0.707 | S | S | * | * | trans | -123.1 | 58.9 | 148.7 | -164.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 66 | G | 48.6 | Very low | 52.6 | Low | 44 Ų | 44 | 119.1 Ų | 119.1 | 45% | 0.454 | 69% | 0.693 | S | S | . | * | S | Bend | trans | -118.1 | -55.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L68 R69 | G66-L68 PolarHBondContact O-N 3.15Å; G66-R69 PolarHBondContact O-N 3.35Å |
| 67 | A | 53.3 | Low | 55.2 | Low | 76 Ų | 76 | 118.3 Ų | 118.3 | 63% | 0.628 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -61.2 | -19.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 68 | L | 49.6 | Very low | 57.9 | Low | 156 Ų | 156 | 120 Ų | 120 | 82% | 0.817 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -87.6 | -15.7 | 177.7 | -70.9 | 175.1 | 0 | 0 | 0 | 114.1 | G66 | G66-L68 PolarHBondContact O-N 3.15Å |
| 69 | R | 49.7 | Very low | 60.2 | Low | 183 Ų | 183 | 120 Ų | 120 | 69% | 0.691 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -80.8 | -46.5 | 169.2 | -90.4 | -167.6 | 173.8 | -168.8 | -3.8 | 111.4 | G66 V71 S72 E73 | G66-R69 PolarHBondContact O-N 3.35Å; R69-V71 VanDerWaalsContact C-N 3.32Å; R69-V71 PolarHBondContact O-N 3.08Å; R69-S72 WeakPolarHBondContact O-CA 3.36Å; R69-S72 WeakPolarHBondContact O-CB 3.46Å; R69-S72 PolarHBondContact O-N 3.22Å; R69-E73 PolarHBondContact O-N 3.16Å |
| 70 | D | 62.3 | Low | 62.7 | Low | 119 Ų | 119 | 118.4 Ų | 118.4 | 64% | 0.636 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -43.9 | -56.6 | 178.6 | -114.6 | -3 | 0 | 0 | 0 | 111.5 | S72 E73 E74 | D70-S72 VanDerWaalsContact C-N 3.28Å; D70-S72 PolarHBondContact O-N 3.31Å; D70-E73 PolarHBondContact O-N 3.22Å; D70-E74 VanDerWaalsContact O-CB 3.27Å; D70-E74 WeakPolarHBondContact O-CB 3.45Å; D70-E74 PolarHBondContact O-N 3.26Å |
| 71 | V | 75.8 | Confident | 65.2 | Low | 100 Ų | 100 | 119.7 Ų | 119.7 | 61% | 0.606 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -63.9 | -30.9 | -177.7 | -178.5 | 0 | 0 | 0 | 0 | 112.8 | R69 L75 | R69-V71 VanDerWaalsContact C-N 3.32Å; R69-V71 PolarHBondContact O-N 3.08Å; V71-L75 WeakPolarHBondContact O-CB 3.37Å; V71-L75 PolarHBondContact O-N 3.42Å |
| 72 | S | 77.3 | Confident | 67.3 | Low | 72 Ų | 72 | 114.8 Ų | 114.8 | 50% | 0.503 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -78.3 | -33.7 | 178.1 | -165.9 | 0 | 0 | 0 | 0 | 112.5 | R69 D70 S76 | R69-S72 WeakPolarHBondContact O-CA 3.36Å; R69-S72 WeakPolarHBondContact O-CB 3.46Å; R69-S72 PolarHBondContact O-N 3.22Å; D70-S72 VanDerWaalsContact C-N 3.28Å; D70-S72 PolarHBondContact O-N 3.31Å; S72-S76 WeakPolarHBondContact O-CB 3.43Å; S72-S76 PolarHBondContact O-N 2.95Å; S72-S76 VanDerWaalsContact O-N 3.1Å; S72-S76 PolarHBondContact O-OG 3.31Å |
| 73 | E | 80.6 | Confident | 69.3 | Low | 112 Ų | 112 | 113.6 Ų | 113.6 | 52% | 0.523 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -77.9 | -37.1 | 177 | -68 | 175.9 | -150.1 | 0 | 0 | 110.6 | R69 D70 S76 R77 | R69-E73 PolarHBondContact O-N 3.16Å; D70-E73 PolarHBondContact O-N 3.22Å; E73-S76 PolarHBondContact O-N 3.19Å; E73-R77 WeakPolarHBondContact O-CG 3.34Å; E73-R77 PolarHBondContact O-N 3.34Å |
| 74 | E | 81.4 | Confident | 71.1 | Confident | 108 Ų | 108 | 113 Ų | 113 | 51% | 0.505 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -62.8 | -47.4 | 170 | -168.8 | 70.5 | -127 | 0 | 0 | 111.8 | D70 S76 R77 Q78 | D70-E74 VanDerWaalsContact O-CB 3.27Å; D70-E74 WeakPolarHBondContact O-CB 3.45Å; D70-E74 PolarHBondContact O-N 3.26Å; E74-S76 VanDerWaalsContact C-N 3.3Å; E74-S76 PolarHBondContact O-N 3.42Å; E74-R77 WeakPolarHBondContact O-CB 3.47Å; E74-R77 PolarHBondContact O-N 3.45Å; E74-Q78 PolarHBondContact O-N 3.02Å |
| 75 | L | 84.3 | Confident | 72.5 | Confident | 96 Ų | 96 | 108.6 Ų | 108.6 | 50% | 0.503 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.4 | -35.4 | 176.6 | -177 | 62.8 | 0 | 0 | 0 | 112.1 | V71 Q78 L79 | V71-L75 WeakPolarHBondContact O-CB 3.37Å; V71-L75 PolarHBondContact O-N 3.42Å; L75-Q78 PolarHBondContact O-N 3.03Å; L75-L79 HydrophobicContact CG-CD1 4.34Å; L75-L79 VanDerWaalsContact O-CG 3.31Å; L75-L79 WeakPolarHBondContact O-CG 3.45Å; L75-L79 PolarHBondContact O-N 3.23Å |
| 76 | S | 81.6 | Confident | 73.5 | Confident | 66 Ų | 66 | 111.5 Ų | 111.5 | 46% | 0.462 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.4 | -42.9 | 174.1 | -58.6 | 0 | 0 | 0 | 0 | 111.3 | S72 E73 E74 L79 E80 | S72-S76 WeakPolarHBondContact O-CB 3.43Å; S72-S76 PolarHBondContact O-N 2.95Å; S72-S76 VanDerWaalsContact O-N 3.1Å; S72-S76 PolarHBondContact O-OG 3.31Å; E73-S76 PolarHBondContact O-N 3.19Å; E74-S76 VanDerWaalsContact C-N 3.3Å; E74-S76 PolarHBondContact O-N 3.42Å; S76-L79 PolarHBondContact O-N 3.36Å; S76-E80 WeakPolarHBondContact O-CB 3.44Å; S76-E80 PolarHBondContact O-N 3.25Å |
| 77 | R | 88.4 | Confident | 74 | Confident | 180 Ų | 180 | 112.8 Ų | 112.8 | 68% | 0.679 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -61 | -44.4 | 173.7 | -80.6 | 171.3 | 156.4 | -95.4 | -6.9 | 112.6 | E73 E74 L79 E80 D81 | E73-R77 WeakPolarHBondContact O-CG 3.34Å; E73-R77 PolarHBondContact O-N 3.34Å; E74-R77 WeakPolarHBondContact O-CB 3.47Å; E74-R77 PolarHBondContact O-N 3.45Å; R77-L79 VanDerWaalsContact C-N 3.33Å; R77-L79 PolarHBondContact O-N 3.32Å; R77-E80 PolarHBondContact O-N 3.35Å; R77-D81 PolarHBondContact O-N 3.07Å |
| 78 | Q | 85.7 | Confident | 74.1 | Confident | 110 Ų | 110 | 114.5 Ų | 114.5 | 51% | 0.514 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63.2 | -38.6 | 176.9 | -73.3 | -173.3 | -18.6 | 0 | 0 | 112.3 | E74 L75 I82 | E74-Q78 PolarHBondContact O-N 3.02Å; L75-Q78 PolarHBondContact O-N 3.03Å; Q78-I82 WeakPolarHBondContact O-CB 3.5Å; Q78-I82 WeakPolarHBondContact O-CD1 3.48Å; Q78-I82 WeakPolarHBondContact O-CG1 3.35Å; Q78-I82 PolarHBondContact O-N 3.09Å |
| 79 | L | 81.4 | Confident | 74 | Confident | 98 Ų | 98 | 114.3 Ų | 114.3 | 51% | 0.513 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66.9 | -36.7 | 174.2 | -72.1 | 168.1 | 0 | 0 | 0 | 112.2 | L75 S76 R77 L83 | L75-L79 HydrophobicContact CG-CD1 4.34Å; L75-L79 VanDerWaalsContact O-CG 3.31Å; L75-L79 WeakPolarHBondContact O-CG 3.45Å; L75-L79 PolarHBondContact O-N 3.23Å; S76-L79 PolarHBondContact O-N 3.36Å; R77-L79 VanDerWaalsContact C-N 3.33Å; R77-L79 PolarHBondContact O-N 3.32Å; L79-L83 WeakPolarHBondContact O-CB 3.47Å; L79-L83 VanDerWaalsContact O-CG 3.3Å; L79-L83 WeakPolarHBondContact O-CG 3.48Å; L79-L83 PolarHBondContact O-N 3.45Å |
| 80 | E | 83.5 | Confident | 73.9 | Confident | 143 Ų | 143 | 110 Ų | 110 | 67% | 0.668 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -73.3 | -36.4 | 177.9 | -165.7 | 153.6 | -134.4 | 0 | 0 | 112.6 | S76 R77 L83 S84 | S76-E80 WeakPolarHBondContact O-CB 3.44Å; S76-E80 PolarHBondContact O-N 3.25Å; R77-E80 PolarHBondContact O-N 3.35Å; E80-L83 PolarHBondContact O-N 3.14Å; E80-S84 VanDerWaalsContact O-CB 3.24Å; E80-S84 WeakPolarHBondContact O-CB 3.32Å; E80-S84 PolarHBondContact O-N 3.33Å |
| 81 | D | 84.1 | Confident | 73.3 | Confident | 118 Ų | 118 | 111.5 Ų | 111.5 | 63% | 0.631 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.7 | -42.2 | 170.1 | -102.3 | 3.7 | 0 | 0 | 0 | 111.8 | R77 S84 T85 | R77-D81 PolarHBondContact O-N 3.07Å; D81-S84 PolarHBondContact O-N 3.21Å; D81-T85 WeakPolarHBondContact O-CB 3.43Å; D81-T85 PolarHBondContact O-N 3.08Å; D81-T85 PolarHBondContact O-OG1 3.43Å |
| 82 | I | 81.4 | Confident | 71.7 | Confident | 96 Ų | 96 | 116 Ų | 116 | 49% | 0.492 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -63.6 | -46.3 | 175.2 | -71 | 165.5 | 0 | 0 | 0 | 110.4 | Q78 T85 Y86 | Q78-I82 WeakPolarHBondContact O-CB 3.5Å; Q78-I82 WeakPolarHBondContact O-CD1 3.48Å; Q78-I82 WeakPolarHBondContact O-CG1 3.35Å; Q78-I82 PolarHBondContact O-N 3.09Å; I82-T85 PolarHBondContact O-N 3.47Å; I82-Y86 HydrophobicContact CG2-CD2 4.34Å; I82-Y86 WeakPolarHBondContact O-CD2 3.46Å; I82-Y86 PolarHBondContact O-N 3.44Å |
| 83 | L | 76.8 | Confident | 69.7 | Low | 106 Ų | 106 | 116.4 Ų | 116.4 | 56% | 0.555 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -62.5 | -44 | 176.2 | -76.5 | 165.2 | 0 | 0 | 0 | 111.6 | L79 E80 T85 Y86 C87 | L79-L83 WeakPolarHBondContact O-CB 3.47Å; L79-L83 VanDerWaalsContact O-CG 3.3Å; L79-L83 WeakPolarHBondContact O-CG 3.48Å; L79-L83 PolarHBondContact O-N 3.45Å; E80-L83 PolarHBondContact O-N 3.14Å; L83-T85 VanDerWaalsContact C-N 3.29Å; L83-T85 PolarHBondContact O-N 3.19Å; L83-Y86 PolarHBondContact O-N 3.49Å; L83-C87 WeakPolarHBondContact O-CB 3.46Å; L83-C87 PolarHBondContact O-N 3.3Å; L83-C87 PolarHBondContact O-SG 3.21Å; L83-C87 VanDerWaalsContact O-SG 3.33Å |
| 84 | S | 77.6 | Confident | 67.6 | Low | 75 Ų | 75 | 114.6 Ų | 114.6 | 52% | 0.524 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -57.8 | -41.4 | 175 | -169.6 | 0 | 0 | 0 | 0 | 111.9 | E80 D81 Y86 V88 | E80-S84 VanDerWaalsContact O-CB 3.24Å; E80-S84 WeakPolarHBondContact O-CB 3.32Å; E80-S84 PolarHBondContact O-N 3.33Å; D81-S84 PolarHBondContact O-N 3.21Å; S84-Y86 VanDerWaalsContact C-N 3.3Å; S84-Y86 PolarHBondContact O-N 3.34Å; S84-V88 WeakPolarHBondContact O-CG2 3.28Å |
| 85 | T | 75.9 | Confident | 66 | Low | 101 Ų | 101 | 115.8 Ų | 115.8 | 62% | 0.62 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -64.8 | -28.9 | 178.7 | -57.1 | 0 | 0 | 0 | 0 | 113.4 | D81 I82 L83 | D81-T85 WeakPolarHBondContact O-CB 3.43Å; D81-T85 PolarHBondContact O-N 3.08Å; D81-T85 PolarHBondContact O-OG1 3.43Å; I82-T85 PolarHBondContact O-N 3.47Å; L83-T85 VanDerWaalsContact C-N 3.29Å; L83-T85 PolarHBondContact O-N 3.19Å |
| 86 | Y | 65.2 | Low | 63.9 | Low | 182 Ų | 182 | 114.4 Ų | 114.4 | 71% | 0.714 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -110.9 | -15.8 | -175.6 | -75.9 | -78.9 | 0 | 0 | 0 | 115.3 | I82 L83 S84 | I82-Y86 HydrophobicContact CG2-CD2 4.34Å; I82-Y86 WeakPolarHBondContact O-CD2 3.46Å; I82-Y86 PolarHBondContact O-N 3.44Å; L83-Y86 PolarHBondContact O-N 3.49Å; S84-Y86 VanDerWaalsContact C-N 3.3Å; S84-Y86 PolarHBondContact O-N 3.34Å |
| 87 | C | 58.9 | Low | 61.9 | Low | 71 Ų | 71 | 120.1 Ų | 120.1 | 48% | 0.48 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -92.4 | -10.1 | -176.5 | -70.4 | 0 | 0 | 0 | 0 | 115.1 | L83 D89 | L83-C87 WeakPolarHBondContact O-CB 3.46Å; L83-C87 PolarHBondContact O-N 3.3Å; L83-C87 PolarHBondContact O-SG 3.21Å; L83-C87 VanDerWaalsContact O-SG 3.33Å; C87-D89 PolarHBondContact O-N 3.09Å |
| 88 | V | 53.8 | Low | 59.4 | Low | 112 Ų | 112 | 119.7 Ų | 119.7 | 68% | 0.679 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -65 | -37.4 | -179 | 169.1 | 0 | 0 | 0 | 0 | 112.6 | S84 S90 | S84-V88 WeakPolarHBondContact O-CG2 3.28Å; V88-S90 PolarHBondContact O-N 2.83Å |
| 89 | D | 47.8 | Very low | 56.9 | Low | 153 Ų | 153 | 117.8 Ų | 117.8 | 82% | 0.818 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -85 | -0.3 | -175.3 | -69 | -38.9 | 0 | 0 | 0 | 114.9 | C87 | C87-D89 PolarHBondContact O-N 3.09Š|
| 90 | S | 47.6 | Very low | 54.9 | Low | 92 Ų | 92 | 117.8 Ų | 117.8 | 64% | 0.643 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -86.8 | -2.9 | -174.4 | -66.8 | 0 | 0 | 0 | 0 | 115.4 | V88 | V88-S90 PolarHBondContact O-N 2.83Š|
| 91 | N | 51 | Low | 52.6 | Low | 151 Ų | 151 | 120.8 Ų | 120.8 | 81% | 0.807 | 73% | 0.728 | S | S | * | * | trans | -115.2 | 64.7 | -173.4 | -90.7 | -26.2 | 0 | 0 | 0 | 113.6 | ||||
| 92 | Q | 42 | Very low | 50.2 | Low | 194 Ų | 194 | 118.6 Ų | 118.6 | 91% | 0.907 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -147.2 | 94.9 | 160.1 | -123.5 | 174.9 | 114.5 | 0 | 0 | 113.7 | ||
| 93 | G | 34.5 | Very low | 48.1 | Very low | 80 Ų | 80 | 122.9 Ų | 122.9 | 83% | 0.825 | 75% | 0.751 | S | S | * | * | trans | 55.8 | 87.5 | 145.7 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 94 | G | 35.7 | Very low | 46.4 | Very low | 74 Ų | 74 | 123.3 Ų | 123.3 | 76% | 0.763 | 76% | 0.76 | S | S | * | * | -85.4 | 144.4 | 130 | 0 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 95 | P | 48.1 | Very low | 44.2 | Very low | 134 Ų | 134 | 124.5 Ų | 124.5 | 87% | 0.87 | 78% | 0.775 | S | S | * | * | -149.1 | 173.6 | 74.8 | 41.3 | -25.1 | 0 | 0 | 0 | 116.2 | |||||
| 96 | G | 40.7 | Very low | 42.4 | Very low | 66 Ų | 66 | 128.8 Ų | 128.8 | 68% | 0.68 | 79% | 0.788 | S | S | * | * | trans | 100.6 | 89.5 | 143.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 97 | E | 39.1 | Very low | 41.3 | Very low | 187 Ų | 187 | 126 Ų | 126 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | trans | 41 | 135.5 | 133.8 | -60.9 | 180 | 133.5 | 0 | 0 | 122.8 | ||||
| 98 | D | 37.4 | Very low | 40.1 | Very low | 171 Ų | 171 | 132 Ų | 132 | 91% | 0.914 | 81% | 0.813 | S | S | * | * | trans | 56.4 | 150.7 | 150.6 | -75.2 | -6.7 | 0 | 0 | 0 | 121.3 | ||||
| 99 | G | 33.2 | Very low | 39.4 | Very low | 70 Ų | 70 | 134.1 Ų | 134.1 | 72% | 0.722 | 82% | 0.82 | S | S | * | * | trans | 154.2 | 1.5 | 147.1 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 100 | A | 38.2 | Very low | 38.9 | Very low | 98 Ų | 98 | 131.3 Ų | 131.3 | 81% | 0.81 | 82% | 0.819 | S | S | * | * | trans | 59.9 | 174.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 101 | Q | 35.6 | Very low | 38.4 | Very low | 205 Ų | 205 | 134.5 Ų | 134.5 | 96% | 0.958 | 82% | 0.823 | S | S | * | * | trans | 63.7 | 141.1 | 176.1 | -54.8 | -167.2 | -79.7 | 0 | 0 | 117.3 | ||||
| 102 | G | 34.5 | Very low | 37.5 | Very low | 72 Ų | 72 | 136.6 Ų | 136.6 | 74% | 0.742 | 83% | 0.825 | S | S | * | * | trans | -149.5 | 148.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 103 | E | 37.4 | Very low | 36.8 | Very low | 187 Ų | 187 | 132.1 Ų | 132.1 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | trans | -164 | 154.1 | 156.4 | -99.7 | -72.3 | 92 | 0 | 0 | 105.3 | ||||
| 104 | P | 39.5 | Very low | 36.8 | Very low | 114 Ų | 114 | 139.5 Ų | 139.5 | 74% | 0.74 | 82% | 0.818 | S | S | * | * | trans | -88.5 | 160.9 | -159.6 | 34 | -36.6 | 0 | 0 | 0 | 115.1 | ||||
| 105 | A | 31.6 | Very low | 36.5 | Very low | 100 Ų | 100 | 141.3 Ų | 141.3 | 83% | 0.826 | 82% | 0.815 | S | S | * | * | trans | -123.1 | 143.4 | 157.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 106 | E | 39.4 | Very low | 35.6 | Very low | 191 Ų | 191 | 145 Ų | 145 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 152.8 | -174.2 | -58.5 | -175.5 | 141.6 | 0 | 0 | 113 | ||
| 107 | P | 41.3 | Very low | 35.2 | Very low | 124 Ų | 124 | 148.6 Ų | 148.6 | 81% | 0.805 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 134.8 | 161 | 33.8 | -29.6 | 0 | 0 | 0 | 111.3 | ||
| 108 | E | 34.8 | Very low | 34.8 | Very low | 197 Ų | 197 | 143.8 Ų | 143.8 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -71 | 161.3 | 173.6 | -78.8 | -165.5 | 123.5 | 0 | 0 | 113.8 | ||
| 109 | D | 38.7 | Very low | 34.5 | Very low | 156 Ų | 156 | 147.5 Ų | 147.5 | 83% | 0.834 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 148.7 | 175.3 | -140.6 | -34.2 | 0 | 0 | 0 | 113.2 | ||
| 110 | A | 37.1 | Very low | 34.4 | Very low | 95 Ų | 95 | 152 Ų | 152 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | trans | -151.4 | 64.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | K112 | A110-K112 PolarHBondContact O-N 3.38Š| ||
| 111 | E | 36 | Very low | 34.1 | Very low | 158 Ų | 158 | 151.2 Ų | 151.2 | 74% | 0.738 | 82% | 0.824 | S | S | * | * | trans | -63.2 | 129.1 | 171.8 | -75.2 | -160.4 | 113.6 | 0 | 0 | 114.4 | ||||
| 112 | K | 32 | Very low | 34.1 | Very low | 196 Ų | 196 | 149.8 Ų | 149.8 | 85% | 0.852 | 82% | 0.817 | S | S | * | * | 179.8 | 115.1 | 127 | -92.9 | 141.7 | -161.2 | 142.6 | 0 | 110.8 | A110 | A110-K112 PolarHBondContact O-N 3.38Š| |||
| 113 | S | 29 | Very low | 34.3 | Very low | 100 Ų | 100 | 152 Ų | 152 | 70% | 0.699 | 82% | 0.819 | S | S | * | * | 78.8 | 98 | 67 | -82.2 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 114 | R | 32.9 | Very low | 34.4 | Very low | 234 Ų | 234 | 150.7 Ų | 150.7 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | 176.4 | 121.8 | 120.2 | -94 | 168.8 | 176.9 | -164.4 | -2 | 111.7 | |||||
| 115 | T | 30 | Very low | 34.8 | Very low | 112 Ų | 112 | 149.5 Ų | 149.5 | 69% | 0.687 | 81% | 0.805 | S | S | * | * | 54.3 | 131.4 | 91.2 | -11.9 | 0 | 0 | 0 | 0 | 114 | |||||
| 116 | Y | 30.1 | Very low | 34.8 | Very low | 213 Ų | 213 | 150.9 Ų | 150.9 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | cis | -128.9 | 177.7 | 23 | -98.8 | -102.2 | 0 | 0 | 0 | 111.1 | ||||
| 117 | V | 31.9 | Very low | 35.3 | Very low | 140 Ų | 140 | 147.2 Ų | 147.2 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | cis | -151.8 | 155.9 | 43.3 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 118 | A | 29.9 | Very low | 34.9 | Very low | 87 Ų | 87 | 148.1 Ų | 148.1 | 72% | 0.719 | 80% | 0.799 | S | S | * | * | trans | -113.2 | 158.4 | 179 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 119 | R | 31 | Very low | 34.9 | Very low | 248 Ų | 248 | 144.1 Ų | 144.1 | 94% | 0.936 | 79% | 0.788 | S | S | * | * | trans | -151.7 | 140.4 | 156.5 | -165 | 165.7 | -177.2 | 151.7 | 1.4 | 112.6 | ||||
| 120 | N | 32.1 | Very low | 34.6 | Very low | 164 Ų | 164 | 144.6 Ų | 144.6 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | trans | -71.2 | 162.8 | -167.8 | -47.1 | -4.5 | 0 | 0 | 0 | 115 | ||||
| 121 | G | 31 | Very low | 34.4 | Very low | 82 Ų | 82 | 143.1 Ų | 143.1 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | trans | -175.6 | 48.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 122 | E | 35 | Very low | 34.3 | Very low | 175 Ų | 175 | 143.6 Ų | 143.6 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -86.5 | 154.4 | 164 | -134.8 | -168.9 | -146.6 | 0 | 0 | 109.8 | ||||
| 123 | P | 40.5 | Very low | 34.3 | Very low | 120 Ų | 120 | 141.9 Ų | 141.9 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | -147 | 159.2 | 76.8 | 41.1 | -24.1 | 0 | 0 | 0 | 117.1 | |||||
| 124 | E | 38.3 | Very low | 34.5 | Very low | 158 Ų | 158 | 144.4 Ų | 144.4 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | trans | -79.8 | -168.3 | 157.4 | -121.8 | -153.3 | -143.8 | 0 | 0 | 110.4 | ||||
| 125 | P | 48.8 | Very low | 34.9 | Very low | 90 Ų | 90 | 139 Ų | 139 | 58% | 0.584 | 78% | 0.775 | S | S | * | * | cis | -137.8 | -172.7 | 7.1 | 26.8 | -0.1 | 0 | 0 | 0 | 116.5 | ||||
| 126 | T | 31.5 | Very low | 35 | Very low | 128 Ų | 128 | 137.2 Ų | 137.2 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | 124.6 | 148.5 | 136 | 65.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 127 | P | 48.8 | Very low | 35.1 | Very low | 115 Ų | 115 | 137 Ų | 137 | 75% | 0.747 | 77% | 0.77 | S | S | * | * | trans | -131 | 171.9 | -161.1 | 42.9 | -25.4 | 0 | 0 | 0 | 117.3 | ||||
| 128 | V | 32.8 | Very low | 34.9 | Very low | 143 Ų | 143 | 134.4 Ų | 134.4 | 87% | 0.867 | 77% | 0.772 | S | S | * | * | trans | -152.5 | 145 | 169.8 | -175.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 129 | V | 36.6 | Very low | 35.1 | Very low | 113 Ų | 113 | 137 Ų | 137 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | cis | 161 | 144.2 | -27.1 | 145.1 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 130 | N | 31.8 | Very low | 35.7 | Very low | 166 Ų | 166 | 131 Ų | 131 | 89% | 0.888 | 77% | 0.767 | S | S | * | * | trans | 68.7 | 152.4 | 178 | -66.4 | -10.8 | 0 | 0 | 0 | 118.3 | ||||
| 131 | G | 32.4 | Very low | 35.6 | Very low | 64 Ų | 64 | 126 Ų | 126 | 66% | 0.66 | 75% | 0.754 | S | S | * | * | cis | 159.1 | 146 | -11.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 132 | E | 33.6 | Very low | 35.8 | Very low | 167 Ų | 167 | 128.4 Ų | 128.4 | 78% | 0.78 | 75% | 0.753 | S | S | * | * | trans | 66 | 163.4 | 173.1 | -46.4 | -153 | 123.6 | 0 | 0 | 116.8 | ||||
| 133 | K | 31.7 | Very low | 35.6 | Very low | 160 Ų | 160 | 128.7 Ų | 128.7 | 70% | 0.696 | 75% | 0.754 | S | S | * | * | cis | -155.1 | 160.4 | -2.4 | -140.3 | 177.1 | -166.1 | 83.9 | 0 | 112.4 | ||||
| 134 | E | 33.3 | Very low | 35.6 | Very low | 154 Ų | 154 | 130.6 Ų | 130.6 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | trans | -54.2 | 154.3 | 158.6 | -101.5 | -91.4 | 160.9 | 0 | 0 | 112.6 | S136 | E134-S136 PolarHBondContact OE2-N 3.13Š| ||
| 135 | P | 41.8 | Very low | 35.3 | Very low | 119 Ų | 119 | 130.1 Ų | 130.1 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | -156 | 132.1 | 88.5 | 39.4 | -18.3 | 0 | 0 | 0 | 120 | |||||
| 136 | S | 32.8 | Very low | 34.6 | Very low | 75 Ų | 75 | 135.7 Ų | 135.7 | 52% | 0.524 | 76% | 0.763 | S | S | . | * | 68.2 | 121.6 | 118.5 | 170.7 | 0 | 0 | 0 | 0 | 124.6 | E134 | E134-S136 PolarHBondContact OE2-N 3.13Š| |||
| 137 | K | 32.2 | Very low | 34.9 | Very low | 209 Ų | 209 | 138.6 Ų | 138.6 | 91% | 0.909 | 77% | 0.767 | S | S | * | * | trans | 80.9 | 137.8 | 139.3 | -73.3 | 172 | -170.1 | 175.1 | 0 | 122.4 | ||||
| 138 | G | 27.8 | Very low | 34.1 | Very low | 86 Ų | 86 | 138.8 Ų | 138.8 | 89% | 0.887 | 77% | 0.771 | S | S | * | * | trans | 173 | 53.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 139 | D | 33.8 | Very low | 34.2 | Very low | 141 Ų | 141 | 139.5 Ų | 139.5 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | trans | -97.6 | 147.4 | 173.4 | -174.8 | 44.9 | 0 | 0 | 0 | 110.2 | ||||
| 140 | P | 44.1 | Very low | 34.1 | Very low | 122 Ų | 122 | 143 Ų | 143 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | -150.5 | 149.9 | 96.1 | 38 | -19.9 | 0 | 0 | 0 | 117.6 | |||||
| 141 | G | 30.1 | Very low | 34.3 | Very low | 59 Ų | 59 | 141.8 Ų | 141.8 | 61% | 0.608 | 78% | 0.778 | S | S | * | * | trans | 91.8 | 108.5 | 145.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 142 | T | 33.7 | Very low | 34.4 | Very low | 132 Ų | 132 | 141.4 Ų | 141.4 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | cis | 67 | 104.2 | 37.1 | -49.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 143 | E | 32.3 | Very low | 34.7 | Very low | 181 Ų | 181 | 141.1 Ų | 141.1 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | -161.7 | 117 | 123.6 | -114.8 | 179.1 | -154.8 | 0 | 0 | 111.3 | |||||
| 144 | E | 38.7 | Very low | 35.2 | Very low | 161 Ų | 161 | 143.8 Ų | 143.8 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | trans | -83.7 | 147.7 | 149.4 | -73.6 | -164.9 | 149.4 | 0 | 0 | 108.2 | ||||
| 145 | I | 33.3 | Very low | 35.6 | Very low | 147 Ų | 147 | 140.1 Ų | 140.1 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | trans | -152 | 100.9 | 138.1 | -104.6 | 144.4 | 0 | 0 | 0 | 111.4 | ||||
| 146 | R | 32.9 | Very low | 35.5 | Very low | 207 Ų | 207 | 141.8 Ų | 141.8 | 78% | 0.781 | 77% | 0.766 | S | S | * | * | trans | 37.2 | 127.4 | 130.5 | -61.2 | 176.1 | -174.5 | 171.6 | 2.7 | 119.6 | ||||
| 147 | Q | 38.1 | Very low | 36.2 | Very low | 189 Ų | 189 | 148.9 Ų | 148.9 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | trans | -51.5 | 146.4 | 153.8 | -62.8 | 159.4 | -29 | 0 | 0 | 111.7 | ||||
| 148 | S | 31.6 | Very low | 36.9 | Very low | 119 Ų | 119 | 148.4 Ų | 148.4 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | -153.3 | 103.7 | 158.3 | -71.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 149 | D | 35 | Very low | 37.8 | Very low | 159 Ų | 159 | 148.4 Ų | 148.4 | 85% | 0.85 | 76% | 0.758 | S | S | * | * | trans | -68.3 | 137 | 156.6 | -73 | -70.1 | 0 | 0 | 0 | 108.9 | ||||
| 150 | E | 35.3 | Very low | 38.6 | Very low | 185 Ų | 185 | 147.3 Ų | 147.3 | 86% | 0.864 | 75% | 0.749 | S | S | * | * | trans | -178.5 | 176.6 | 141.6 | -99.7 | -125.4 | 105.4 | 0 | 0 | 111.4 | ||||
| 151 | V | 35.4 | Very low | 39 | Very low | 141 Ų | 141 | 148.4 Ų | 148.4 | 86% | 0.855 | 74% | 0.743 | S | S | * | * | trans | 75.9 | 94.3 | -176.2 | -167.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 152 | G | 35 | Very low | 40 | Very low | 56 Ų | 56 | 154.3 Ų | 154.3 | 58% | 0.577 | 75% | 0.752 | S | S | * | * | cis | 120.8 | 98.2 | 7.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | R154 | G152-R154 PolarHBondContact O-N 3.41Å; G152-R154 VanDerWaalsContact O-N 3.13Å | ||
| 153 | D | 40.7 | Very low | 41 | Very low | 162 Ų | 162 | 155.9 Ų | 155.9 | 87% | 0.866 | 75% | 0.748 | S | S | * | * | trans | -61.8 | 112.3 | 179.3 | -179.7 | 24.1 | 0 | 0 | 0 | 110.8 | ||||
| 154 | R | 41.7 | Very low | 42.2 | Very low | 216 Ų | 216 | 153.1 Ų | 153.1 | 82% | 0.815 | 73% | 0.733 | S | S | * | * | trans | -118 | 87 | 175.1 | -82.6 | -169.3 | 170 | -179.2 | 0.1 | 111 | G152 H156 | G152-R154 PolarHBondContact O-N 3.41Å; G152-R154 VanDerWaalsContact O-N 3.13Å; R154-H156 PolarHBondContact O-N 3.26Å; R154-H156 VanDerWaalsContact O-N 3.11Å; R154-H156 PolarHBondContact O-ND1 2.91Å | ||
| 155 | D | 40.5 | Very low | 43.1 | Very low | 76 Ų | 76 | 148.7 Ų | 148.7 | 41% | 0.406 | 72% | 0.724 | S | S | . | * | trans | -26.5 | 107.1 | 154.8 | 176.1 | 13.4 | 0 | 0 | 0 | 114 | R157 R158 | D155-R157 PolarHBondContact OD1-N 3.08Å; D155-R158 IonicContact OD1-NE 3.52Å; D155-R158 IonicContact OD2-CZ 2.69Å; D155-R158 IonicContact OD2-NE 3.14Å; D155-R158 PolarHBondContact OD2-NE 3.16Å; D155-R158 IonicContact OD2-NH2 2.86Å; D155-R158 PolarHBondContact OD2-NH2 3.06Å | ||
| 156 | H | 40.4 | Very low | 44.4 | Very low | 154 Ų | 154 | 149.9 Ų | 149.9 | 71% | 0.713 | 72% | 0.723 | S | S | * | * | trans | -116.4 | 16.4 | 168.2 | -80.4 | 72.4 | 0 | 0 | 0 | 112 | R154 P159 | R154-H156 PolarHBondContact O-N 3.26Å; R154-H156 VanDerWaalsContact O-N 3.11Å; R154-H156 PolarHBondContact O-ND1 2.91Å; H156-P159 WeakPolarHBondContact O-CD 3.32Å | ||
| 157 | R | 47.3 | Very low | 45.7 | Very low | 224 Ų | 224 | 141.3 Ų | 141.3 | 85% | 0.845 | 70% | 0.699 | S | S | * | * | trans | -75.1 | -27.2 | -175.1 | -85.8 | -172.5 | 174.9 | -113.3 | 3.2 | 113.6 | D155 | D155-R157 PolarHBondContact OD1-N 3.08Š| ||
| 158 | R | 46.3 | Very low | 47.1 | Very low | 199 Ų | 199 | 137 Ų | 137 | 75% | 0.751 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -22 | -166.5 | -50.1 | -167.7 | -148.1 | -143.3 | 4.6 | 117.8 | D155 | D155-R158 IonicContact OD1-NE 3.52Å; D155-R158 IonicContact OD2-CZ 2.69Å; D155-R158 IonicContact OD2-NE 3.14Å; D155-R158 PolarHBondContact OD2-NE 3.16Å; D155-R158 IonicContact OD2-NH2 2.86Å; D155-R158 PolarHBondContact OD2-NH2 3.06Å |
| 159 | P | 48.3 | Very low | 48.6 | Very low | 87 Ų | 87 | 133 Ų | 133 | 57% | 0.565 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -20.8 | 178.1 | -21.1 | 34.3 | 0 | 0 | 0 | 115.5 | H156 | H156-P159 WeakPolarHBondContact O-CD 3.32Š|
| 160 | Q | 49.3 | Very low | 50.4 | Low | 118 Ų | 118 | 133.3 Ų | 133.3 | 55% | 0.551 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -76.8 | -34.5 | -161.8 | -152.5 | -173.8 | 34.9 | 0 | 0 | 113.8 | K163 K164 | Q160-K163 WeakPolarHBondContact O-CB 3.43Å; Q160-K163 PolarHBondContact O-N 2.97Å; Q160-K163 VanDerWaalsContact O-N 3.14Å; Q160-K164 PolarHBondContact O-N 3.13Å |
| 161 | E | 53.4 | Low | 52.2 | Low | 145 Ų | 145 | 130.4 Ų | 130.4 | 68% | 0.678 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -70.1 | -38.5 | -174.5 | -62.1 | -175.6 | 148.7 | 0 | 0 | 112.5 | K163 K164 A165 | E161-K163 PolarHBondContact O-N 3.37Å; E161-K164 PolarHBondContact O-N 3.07Å; E161-K164 VanDerWaalsContact O-N 3.08Å; E161-A165 PolarHBondContact O-N 3.17Å; E161-A165 VanDerWaalsContact O-N 3.11Å |
| 162 | K | 51.2 | Low | 53.9 | Low | 183 Ų | 183 | 128.3 Ų | 128.3 | 80% | 0.796 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -61.9 | -24 | 172.2 | -70.9 | -174.4 | 177.7 | -180 | 0 | 113 | ||
| 163 | K | 53.8 | Low | 55.8 | Low | 165 Ų | 165 | 130 Ų | 130 | 72% | 0.717 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -80.2 | -41.7 | 170 | -75.8 | -173.8 | 175.1 | -179.1 | 0 | 112.2 | Q160 E161 A165 K166 G167 | Q160-K163 WeakPolarHBondContact O-CB 3.43Å; Q160-K163 PolarHBondContact O-N 2.97Å; Q160-K163 VanDerWaalsContact O-N 3.14Å; E161-K163 PolarHBondContact O-N 3.37Å; K163-A165 PolarHBondContact O-N 3.34Å; K163-K166 CarbonylContact O-C 3.58Å; K163-K166 PolarHBondContact O-N 3.09Å; K163-K166 VanDerWaalsContact O-N 3.15Å; K163-G167 PolarHBondContact O-N 3.49Å |
| 164 | K | 58.4 | Low | 57.7 | Low | 122 Ų | 122 | 127.5 Ų | 127.5 | 53% | 0.53 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -58.6 | -47 | 179.2 | -71.1 | 179.5 | -179.8 | 177.4 | 0 | 112.5 | Q160 E161 K166 G167 L168 | Q160-K164 PolarHBondContact O-N 3.13Å; E161-K164 PolarHBondContact O-N 3.07Å; E161-K164 VanDerWaalsContact O-N 3.08Å; K164-K166 VanDerWaalsContact C-N 3.28Å; K164-K166 PolarHBondContact O-N 3.49Å; K164-G167 PolarHBondContact O-N 3.07Å; K164-G167 VanDerWaalsContact O-N 3.13Å; K164-L168 PolarHBondContact O-N 3.34Å |
| 165 | A | 57.8 | Low | 59.4 | Low | 69 Ų | 69 | 120 Ų | 120 | 57% | 0.57 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -59.4 | -37 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | E161 K163 G169 | E161-A165 PolarHBondContact O-N 3.17Å; E161-A165 VanDerWaalsContact O-N 3.11Å; K163-A165 PolarHBondContact O-N 3.34Å; A165-G169 PolarHBondContact O-N 3.32Å |
| 166 | K | 59.3 | Low | 61.1 | Low | 171 Ų | 171 | 121.5 Ų | 121.5 | 74% | 0.743 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -80.7 | -16.4 | 178.8 | -132.5 | 172.6 | -172.9 | 177.2 | 0 | 113.7 | K163 K164 | K163-K166 CarbonylContact O-C 3.58Å; K163-K166 PolarHBondContact O-N 3.09Å; K163-K166 VanDerWaalsContact O-N 3.15Å; K164-K166 VanDerWaalsContact C-N 3.28Å; K164-K166 PolarHBondContact O-N 3.49Å |
| 167 | G | 61.9 | Low | 62.8 | Low | 27 Ų | 27 | 120.2 Ų | 120.2 | 28% | 0.278 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -77.2 | -52.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | K163 K164 G169 K170 E171 | K163-G167 PolarHBondContact O-N 3.49Å; K164-G167 PolarHBondContact O-N 3.07Å; K164-G167 VanDerWaalsContact O-N 3.13Å; G167-G169 VanDerWaalsContact C-N 3.26Å; G167-G169 PolarHBondContact O-N 3.44Å; G167-K170 WeakPolarHBondContact O-CA 3.44Å; G167-K170 WeakPolarHBondContact O-CB 3.47Å; G167-K170 PolarHBondContact O-N 3.25Å; G167-E171 PolarHBondContact O-N 3.1Å |
| 168 | L | 66.6 | Low | 64.2 | Low | 99 Ų | 99 | 112.7 Ų | 112.7 | 52% | 0.518 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -50.4 | -44.3 | 176.3 | -79.2 | 163.1 | 0 | 0 | 0 | 112.4 | K164 K170 E171 I172 | K164-L168 PolarHBondContact O-N 3.34Å; L168-K170 VanDerWaalsContact C-N 3.26Å; L168-K170 PolarHBondContact O-N 3.06Å; L168-E171 PolarHBondContact O-N 3.38Å; L168-I172 WeakPolarHBondContact O-CB 3.41Å; L168-I172 WeakPolarHBondContact O-CD1 3.47Å; L168-I172 VanDerWaalsContact O-CG1 3.22Å; L168-I172 WeakPolarHBondContact O-CG1 3.48Å; L168-I172 PolarHBondContact O-N 3.43Å |
| 169 | G | 63.7 | Low | 65.7 | Low | 36 Ų | 36 | 104.4 Ų | 104.4 | 37% | 0.371 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -58.5 | -33.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | A165 G167 T173 | A165-G169 PolarHBondContact O-N 3.32Å; G167-G169 VanDerWaalsContact C-N 3.26Å; G167-G169 PolarHBondContact O-N 3.44Å; G169-T173 PolarHBondContact O-N 3.33Å; G169-T173 PolarHBondContact O-OG1 2.82Å |
| 170 | K | 72.4 | Confident | 67 | Low | 164 Ų | 164 | 106.1 Ų | 106.1 | 71% | 0.713 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -77.2 | -40.4 | 175.4 | -67.8 | -173.3 | 173.6 | -167 | 0 | 112.3 | G167 L168 I172 T173 L174 | G167-K170 WeakPolarHBondContact O-CA 3.44Å; G167-K170 WeakPolarHBondContact O-CB 3.47Å; G167-K170 PolarHBondContact O-N 3.25Å; L168-K170 VanDerWaalsContact C-N 3.26Å; L168-K170 PolarHBondContact O-N 3.06Å; K170-I172 VanDerWaalsContact C-N 3.35Å; K170-T173 PolarHBondContact O-N 2.99Å; K170-L174 WeakPolarHBondContact O-CB 3.46Å; K170-L174 PolarHBondContact O-N 2.98Å |
| 171 | E | 73.6 | Confident | 68.1 | Low | 125 Ų | 125 | 105.7 Ų | 105.7 | 58% | 0.584 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.4 | -39 | 178 | -69.3 | 171.3 | 166.8 | 0 | 0 | 111.5 | G167 L168 L174 L175 | G167-E171 PolarHBondContact O-N 3.1Å; L168-E171 PolarHBondContact O-N 3.38Å; E171-L174 PolarHBondContact O-N 3.27Å; E171-L175 VanDerWaalsContact O-CB 3.26Å; E171-L175 WeakPolarHBondContact O-CB 3.45Å; E171-L175 PolarHBondContact O-N 2.57Å |
| 172 | I | 70.9 | Confident | 69.4 | Low | 96 Ų | 96 | 100.7 Ų | 100.7 | 49% | 0.492 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.2 | -45.6 | 172.5 | -68.9 | 163.7 | 0 | 0 | 0 | 110.7 | L168 K170 L175 M176 | L168-I172 WeakPolarHBondContact O-CB 3.41Å; L168-I172 WeakPolarHBondContact O-CD1 3.47Å; L168-I172 VanDerWaalsContact O-CG1 3.22Å; L168-I172 WeakPolarHBondContact O-CG1 3.48Å; L168-I172 PolarHBondContact O-N 3.43Å; K170-I172 VanDerWaalsContact C-N 3.35Å; I172-L175 PolarHBondContact O-N 2.99Å; I172-M176 HydrophobicContact CG2-CE 4.49Å; I172-M176 WeakPolarHBondContact O-CB 3.38Å; I172-M176 PolarHBondContact O-N 3.4Å |
| 173 | T | 74.6 | Confident | 69.9 | Low | 93 Ų | 93 | 97.5 Ų | 97.5 | 57% | 0.571 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.7 | -45.3 | 175.9 | -55.8 | 0 | 0 | 0 | 0 | 112 | G169 K170 M176 Q177 | G169-T173 PolarHBondContact O-N 3.33Å; G169-T173 PolarHBondContact O-OG1 2.82Å; K170-T173 PolarHBondContact O-N 2.99Å; T173-M176 PolarHBondContact O-N 3.28Å; T173-Q177 WeakPolarHBondContact O-CB 3.5Å; T173-Q177 PolarHBondContact O-N 3.4Å |
| 174 | L | 79.9 | Confident | 70.9 | Confident | 108 Ų | 108 | 92 Ų | 92 | 57% | 0.565 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.8 | -45.8 | 178.8 | -178.2 | 62.6 | 0 | 0 | 0 | 111.4 | K170 E171 M176 Q177 T178 | K170-L174 WeakPolarHBondContact O-CB 3.46Å; K170-L174 PolarHBondContact O-N 2.98Å; E171-L174 PolarHBondContact O-N 3.27Å; L174-M176 PolarHBondContact O-N 3.02Å; L174-Q177 WeakPolarHBondContact O-CB 3.39Å; L174-Q177 PolarHBondContact O-N 3.18Å; L174-T178 PolarHBondContact O-N 3.34Å; L174-T178 PolarHBondContact O-OG1 3.15Å; L174-T178 VanDerWaalsContact O-OG1 3.1Å |
| 175 | L | 78.1 | Confident | 71.7 | Confident | 58 Ų | 58 | 90.3 Ų | 90.3 | 30% | 0.304 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.4 | -46.4 | 175.6 | -178.8 | 64.1 | 0 | 0 | 0 | 111.2 | E171 I172 Q177 T178 L179 K195 | E171-L175 VanDerWaalsContact O-CB 3.26Å; E171-L175 WeakPolarHBondContact O-CB 3.45Å; E171-L175 PolarHBondContact O-N 2.57Å; I172-L175 PolarHBondContact O-N 2.99Å; L175-Q177 VanDerWaalsContact C-N 3.26Å; L175-Q177 PolarHBondContact O-N 3.08Å; L175-T178 PolarHBondContact O-N 2.82Å; L175-L179 HydrophobicContact CD1-CD1 4.28Å; L175-L179 HydrophobicContact CD1-CG 4.32Å; L175-L179 HydrophobicContact CG-CD1 3.95Å; L175-L179 HydrophobicContact CG-CG 4.42Å; L175-L179 WeakPolarHBondContact O-CB 3.35Å; L175-L179 WeakPolarHBondContact O-CG 3.36Å; L175-L179 PolarHBondContact O-N 3.13Å; L175-K195 HydrophobicContact CD1-CG 4.46Å |
| 176 | M | 75.5 | Confident | 72.4 | Confident | 108 Ų | 108 | 93.3 Ų | 93.3 | 53% | 0.532 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.6 | -39.1 | 176.3 | -156.8 | 80.4 | 73.2 | 0 | 0 | 111.8 | I172 T173 L174 L179 N180 | I172-M176 HydrophobicContact CG2-CE 4.49Å; I172-M176 WeakPolarHBondContact O-CB 3.38Å; I172-M176 PolarHBondContact O-N 3.4Å; T173-M176 PolarHBondContact O-N 3.28Å; L174-M176 PolarHBondContact O-N 3.02Å; M176-L179 PolarHBondContact O-N 2.92Å; M176-N180 WeakPolarHBondContact O-CB 3.5Å; M176-N180 PolarHBondContact O-N 2.95Å |
| 177 | Q | 76.9 | Confident | 73.2 | Confident | 128 Ų | 128 | 88.9 Ų | 88.9 | 60% | 0.598 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -69.2 | -43.6 | 178.4 | -163.6 | 171.4 | 15.2 | 0 | 0 | 111.8 | T173 L174 L175 N180 T181 | T173-Q177 WeakPolarHBondContact O-CB 3.5Å; T173-Q177 PolarHBondContact O-N 3.4Å; L174-Q177 WeakPolarHBondContact O-CB 3.39Å; L174-Q177 PolarHBondContact O-N 3.18Å; L175-Q177 VanDerWaalsContact C-N 3.26Å; L175-Q177 PolarHBondContact O-N 3.08Å; Q177-N180 PolarHBondContact O-N 3.13Å; Q177-T181 PolarHBondContact O-N 3.27Å; Q177-T181 PolarHBondContact O-OG1 3.26Å |
| 178 | T | 77.1 | Confident | 73.9 | Confident | 66 Ų | 66 | 90.7 Ų | 90.7 | 41% | 0.405 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.6 | -40.3 | 173 | -52 | 0 | 0 | 0 | 0 | 111.9 | L174 L175 N180 T181 L182 | L174-T178 PolarHBondContact O-N 3.34Å; L174-T178 PolarHBondContact O-OG1 3.15Å; L174-T178 VanDerWaalsContact O-OG1 3.1Å; L175-T178 PolarHBondContact O-N 2.82Å; T178-N180 VanDerWaalsContact C-N 3.3Å; T178-N180 PolarHBondContact O-N 2.95Å; T178-T181 WeakPolarHBondContact CA-OG1 3.31Å; T178-T181 PolarHBondContact O-N 3.29Å; T178-T181 PolarHBondContact O-OG1 2.98Å; T178-L182 WeakPolarHBondContact O-CG 3.47Å |
| 179 | L | 76.8 | Confident | 74.5 | Confident | 24 Ų | 24 | 91.4 Ų | 91.4 | 13% | 0.126 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -66.1 | -31.4 | 175.7 | -68 | 170.4 | 0 | 0 | 0 | 111.9 | L175 M176 L182 K188 A191 L192 | L175-L179 HydrophobicContact CD1-CD1 4.28Å; L175-L179 HydrophobicContact CD1-CG 4.32Å; L175-L179 HydrophobicContact CG-CD1 3.95Å; L175-L179 HydrophobicContact CG-CG 4.42Å; L175-L179 WeakPolarHBondContact O-CB 3.35Å; L175-L179 WeakPolarHBondContact O-CG 3.36Å; L175-L179 PolarHBondContact O-N 3.13Å; M176-L179 PolarHBondContact O-N 2.92Å; L179-L182 PolarHBondContact O-N 3.13Å; L179-K188 HydrophobicContact CD2-CB 3.88Å; L179-K188 HydrophobicContact CD2-CG 4.3Å; L179-K188 VanDerWaalsContact CD2-O 3.25Å; L179-K188 WeakPolarHBondContact CD2-O 3.31Å; L179-K188 WeakPolarHBondContact O-CG 3.08Å; L179-K188 PolarHBondContact O-NZ 3.44Å; L179-A191 HydrophobicContact CD2-CB 4.21Å; L179-L192 HydrophobicContact CD1-CD1 4.2Å |
| 180 | N | 76.8 | Confident | 75.2 | Confident | 124 Ų | 124 | 92.7 Ų | 92.7 | 66% | 0.663 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -74.8 | -24.3 | 176.1 | -79.9 | -15.9 | 0 | 0 | 0 | 114 | M176 Q177 T178 L182 | M176-N180 WeakPolarHBondContact O-CB 3.5Å; M176-N180 PolarHBondContact O-N 2.95Å; Q177-N180 PolarHBondContact O-N 3.13Å; T178-N180 VanDerWaalsContact C-N 3.3Å; T178-N180 PolarHBondContact O-N 2.95Å; N180-L182 VanDerWaalsContact C-N 3.26Å; N180-L182 PolarHBondContact O-N 3.42Å |
| 181 | T | 72.4 | Confident | 75.5 | Confident | 108 Ų | 108 | 86.3 Ų | 86.3 | 66% | 0.663 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -5.7 | 172.7 | 44.4 | 0 | 0 | 0 | 0 | 114.6 | Q177 T178 | Q177-T181 PolarHBondContact O-N 3.27Å; Q177-T181 PolarHBondContact O-OG1 3.26Å; T178-T181 WeakPolarHBondContact CA-OG1 3.31Å; T178-T181 PolarHBondContact O-N 3.29Å; T178-T181 PolarHBondContact O-OG1 2.98Å |
| 182 | L | 79.2 | Confident | 75.9 | Confident | 41 Ų | 41 | 84.4 Ų | 84.4 | 22% | 0.215 | 47% | 0.47 | C | S | . | . | trans | -95.2 | 131.6 | 177.2 | -62.3 | 171.9 | 0 | 0 | 0 | 109.6 | T178 L179 N180 E187 K188 A191 | T178-L182 WeakPolarHBondContact O-CG 3.47Å; L179-L182 PolarHBondContact O-N 3.13Å; N180-L182 VanDerWaalsContact C-N 3.26Å; N180-L182 PolarHBondContact O-N 3.42Å; L182-E187 WeakPolarHBondContact CA-OE2 3.49Å; L182-E187 HydrophobicContact CB-CB 3.8Å; L182-E187 WeakPolarHBondContact CB-OE2 3.43Å; L182-E187 HydrophobicContact CD1-CB 4.1Å; L182-E187 HydrophobicContact CD2-CB 4.07Å; L182-E187 HydrophobicContact CD2-CG 4.42Å; L182-E187 HydrophobicContact CG-CB 4.17Å; L182-K188 HydrophobicContact CB-CG 3.9Å; L182-K188 WeakPolarHBondContact O-CE 3.17Å; L182-K188 PolarHBondContact O-NZ 2.99Å; L182-A191 HydrophobicContact CD1-CB 3.88Å | ||
| 183 | S | 62.9 | Low | 76.4 | Confident | 115 Ų | 115 | 83.3 Ų | 83.3 | 80% | 0.804 | 47% | 0.47 | S | S | * | . | trans | -89.6 | -29 | -168.4 | -67.2 | 0 | 0 | 0 | 0 | 112.6 | E187 | S183-E187 PolarHBondContact N-OE2 3.36Š| ||
| 184 | T | 73.6 | Confident | 76.9 | Confident | 49 Ų | 49 | 85.3 Ų | 85.3 | 30% | 0.301 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -100.8 | 150.9 | 179 | 64 | 0 | 0 | 0 | 0 | 111.8 | E186 E187 K188 | T184-E186 VanDerWaalsContact C-N 3.26Å; T184-E186 PolarHBondContact O-N 3.4Å; T184-E187 WeakPolarHBondContact CG2-OE1 3.48Å; T184-E187 WeakPolarHBondContact OG1-CB 3.37Å; T184-E187 WeakPolarHBondContact OG1-CG 3.29Å; T184-E187 PolarHBondContact OG1-N 3.17Å; T184-E187 PolarHBondContact OG1-OE1 3.36Å; T184-K188 WeakPolarHBondContact O-CG 3.31Å; T184-K188 PolarHBondContact O-N 2.92Å |
| 185 | P | 74.9 | Confident | 77.1 | Confident | 88 Ų | 88 | 85.5 Ų | 85.5 | 57% | 0.571 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -66.4 | -29.1 | 172.6 | 25.6 | -30.9 | 0 | 0 | 0 | 112.4 | K188 L189 | P185-K188 PolarHBondContact O-N 3.05Å; P185-L189 PolarHBondContact O-N 3.03Å |
| 186 | E | 73.5 | Confident | 77.3 | Confident | 132 Ų | 132 | 90.2 Ų | 90.2 | 62% | 0.617 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -62.6 | -46.3 | 176 | -68.1 | 70.1 | -154.9 | 0 | 0 | 112 | T184 K188 L189 A190 | T184-E186 VanDerWaalsContact C-N 3.26Å; T184-E186 PolarHBondContact O-N 3.4Å; E186-K188 VanDerWaalsContact C-N 3.34Å; E186-K188 PolarHBondContact O-N 3.04Å; E186-L189 PolarHBondContact O-N 3.15Å; E186-A190 WeakPolarHBondContact O-CB 3.46Å; E186-A190 PolarHBondContact O-N 3.26Å |
| 187 | E | 75.3 | Confident | 77.7 | Confident | 77 Ų | 77 | 87.9 Ų | 87.9 | 36% | 0.36 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -57.8 | -45.8 | 174.8 | -79.4 | 154.5 | -135.6 | 0 | 0 | 111.8 | L182 S183 T184 L189 A190 A191 | L182-E187 WeakPolarHBondContact CA-OE2 3.49Å; L182-E187 HydrophobicContact CB-CB 3.8Å; L182-E187 WeakPolarHBondContact CB-OE2 3.43Å; L182-E187 HydrophobicContact CD1-CB 4.1Å; L182-E187 HydrophobicContact CD2-CB 4.07Å; L182-E187 HydrophobicContact CD2-CG 4.42Å; L182-E187 HydrophobicContact CG-CB 4.17Å; S183-E187 PolarHBondContact N-OE2 3.36Å; T184-E187 WeakPolarHBondContact CG2-OE1 3.48Å; T184-E187 WeakPolarHBondContact OG1-CB 3.37Å; T184-E187 WeakPolarHBondContact OG1-CG 3.29Å; T184-E187 PolarHBondContact OG1-N 3.17Å; T184-E187 PolarHBondContact OG1-OE1 3.36Å; E187-L189 VanDerWaalsContact C-N 3.34Å; E187-L189 PolarHBondContact O-N 2.61Å; E187-A190 PolarHBondContact O-N 3.35Å; E187-A191 WeakPolarHBondContact O-CB 3.44Å; E187-A191 PolarHBondContact O-N 3.48Å |
| 188 | K | 76.4 | Confident | 78.1 | Confident | 66 Ų | 66 | 85.2 Ų | 85.2 | 29% | 0.287 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.3 | -44.8 | 179.1 | -66.4 | 173.8 | -153.2 | -86.4 | 0 | 111 | L179 L182 T184 P185 E186 L192 | L179-K188 HydrophobicContact CD2-CB 3.88Å; L179-K188 HydrophobicContact CD2-CG 4.3Å; L179-K188 VanDerWaalsContact CD2-O 3.25Å; L179-K188 WeakPolarHBondContact CD2-O 3.31Å; L179-K188 WeakPolarHBondContact O-CG 3.08Å; L179-K188 PolarHBondContact O-NZ 3.44Å; L182-K188 HydrophobicContact CB-CG 3.9Å; L182-K188 WeakPolarHBondContact O-CE 3.17Å; L182-K188 PolarHBondContact O-NZ 2.99Å; T184-K188 WeakPolarHBondContact O-CG 3.31Å; T184-K188 PolarHBondContact O-N 2.92Å; P185-K188 PolarHBondContact O-N 3.05Å; E186-K188 VanDerWaalsContact C-N 3.34Å; E186-K188 PolarHBondContact O-N 3.04Å; K188-L192 WeakPolarHBondContact O-CB 3.26Å; K188-L192 PolarHBondContact O-N 3.11Å; K188-L192 VanDerWaalsContact O-N 3.13Å |
| 189 | L | 79.9 | Confident | 78.5 | Confident | 114 Ų | 114 | 87 Ų | 87 | 60% | 0.597 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -64.7 | -44.5 | 177.1 | -176.1 | 62.3 | 0 | 0 | 0 | 111.5 | P185 E186 E187 A191 L192 C193 | P185-L189 PolarHBondContact O-N 3.03Å; E186-L189 PolarHBondContact O-N 3.15Å; E187-L189 VanDerWaalsContact C-N 3.34Å; E187-L189 PolarHBondContact O-N 2.61Å; L189-A191 PolarHBondContact O-N 2.87Å; L189-L192 PolarHBondContact O-N 2.96Å; L189-C193 WeakPolarHBondContact O-CB 3.36Å; L189-C193 PolarHBondContact O-N 3.15Å; L189-C193 PolarHBondContact O-SG 2.94Å; L189-C193 VanDerWaalsContact O-SG 3.35Å |
| 190 | A | 77.9 | Confident | 79 | Confident | 62 Ų | 62 | 88.8 Ų | 88.8 | 51% | 0.512 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61 | -43.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E186 E187 L192 K194 | E186-A190 WeakPolarHBondContact O-CB 3.46Å; E186-A190 PolarHBondContact O-N 3.26Å; E187-A190 PolarHBondContact O-N 3.35Å; A190-L192 PolarHBondContact O-N 3.46Å; A190-K194 WeakPolarHBondContact O-CB 3.39Å; A190-K194 PolarHBondContact O-N 2.94Å |
| 191 | A | 78.9 | Confident | 79.5 | Confident | 30 Ų | 30 | 88.5 Ų | 88.5 | 25% | 0.248 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -62.2 | -41.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L179 L182 E187 L189 K194 K195 | L179-A191 HydrophobicContact CD2-CB 4.21Å; L182-A191 HydrophobicContact CD1-CB 3.88Å; E187-A191 WeakPolarHBondContact O-CB 3.44Å; E187-A191 PolarHBondContact O-N 3.48Å; L189-A191 PolarHBondContact O-N 2.87Å; A191-K194 PolarHBondContact O-N 3.38Å; A191-K195 PolarHBondContact O-N 3.48Å |
| 192 | L | 82.8 | Confident | 80.1 | Confident | 86 Ų | 86 | 89.1 Ų | 89.1 | 45% | 0.45 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -70.3 | -42.5 | -179.6 | -152.4 | 156.6 | 0 | 0 | 0 | 111.4 | L179 K188 L189 A190 K194 K195 Y196 | L179-L192 HydrophobicContact CD1-CD1 4.2Å; K188-L192 WeakPolarHBondContact O-CB 3.26Å; K188-L192 PolarHBondContact O-N 3.11Å; K188-L192 VanDerWaalsContact O-N 3.13Å; L189-L192 PolarHBondContact O-N 2.96Å; A190-L192 PolarHBondContact O-N 3.46Å; L192-K194 PolarHBondContact O-N 3.36Å; L192-K195 PolarHBondContact O-N 2.99Å; L192-Y196 PolarHBondContact O-N 2.84Å |
| 193 | C | 81.6 | Confident | 80.4 | Confident | 72 Ų | 72 | 92.8 Ų | 92.8 | 49% | 0.486 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.4 | -43 | 171.4 | -73.7 | 0 | 0 | 0 | 0 | 112.1 | L189 Y196 A197 | L189-C193 WeakPolarHBondContact O-CB 3.36Å; L189-C193 PolarHBondContact O-N 3.15Å; L189-C193 PolarHBondContact O-SG 2.94Å; L189-C193 VanDerWaalsContact O-SG 3.35Å; C193-Y196 PolarHBondContact O-N 2.87Å; C193-A197 PolarHBondContact O-N 2.61Å |
| 194 | K | 83.6 | Confident | 81.7 | Confident | 136 Ų | 136 | 94.6 Ų | 94.6 | 59% | 0.591 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -60.5 | -47.8 | 174.7 | -170.1 | -167.6 | 179.5 | -151.5 | 0 | 111.3 | A190 A191 L192 Y196 A197 E198 | A190-K194 WeakPolarHBondContact O-CB 3.39Å; A190-K194 PolarHBondContact O-N 2.94Å; A191-K194 PolarHBondContact O-N 3.38Å; L192-K194 PolarHBondContact O-N 3.36Å; K194-Y196 VanDerWaalsContact C-N 3.3Å; K194-Y196 PolarHBondContact O-N 2.77Å; K194-A197 WeakPolarHBondContact O-CB 3.37Å; K194-A197 PolarHBondContact O-N 2.81Å; K194-E198 WeakPolarHBondContact CE-OE1 3.45Å; K194-E198 IonicContact NZ-OE1 3.27Å; K194-E198 PolarHBondContact NZ-OE1 3.42Å; K194-E198 WeakPolarHBondContact O-CG 3.37Å; K194-E198 PolarHBondContact O-N 3.2Å |
| 195 | K | 84.3 | Confident | 82.4 | Confident | 112 Ų | 112 | 95.5 Ų | 95.5 | 49% | 0.487 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.5 | -35.1 | 179.5 | -114.8 | -66.4 | 170.6 | -130 | 0 | 112.8 | L175 A191 L192 E198 L199 | L175-K195 HydrophobicContact CD1-CG 4.46Å; A191-K195 PolarHBondContact O-N 3.48Å; L192-K195 PolarHBondContact O-N 2.99Å; K195-E198 WeakPolarHBondContact CE-OE2 3.48Å; K195-E198 IonicContact NZ-OE2 2.7Å; K195-E198 PolarHBondContact NZ-OE2 2.84Å; K195-L199 WeakPolarHBondContact O-CB 3.4Å; K195-L199 PolarHBondContact O-N 2.91Å; K195-L199 VanDerWaalsContact O-N 3.07Å |
| 196 | Y | 83.9 | Confident | 82.9 | Confident | 157 Ų | 157 | 94 Ų | 94 | 62% | 0.616 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -68.9 | -39.2 | 174.3 | -163.9 | -101.7 | 0 | 0 | 0 | 112.1 | L192 C193 K194 L199 L200 | L192-Y196 PolarHBondContact O-N 2.84Å; C193-Y196 PolarHBondContact O-N 2.87Å; K194-Y196 VanDerWaalsContact C-N 3.3Å; K194-Y196 PolarHBondContact O-N 2.77Å; Y196-L199 PolarHBondContact O-N 2.92Å; Y196-L200 HydrophobicContact CD1-CD1 4.4Å; Y196-L200 HydrophobicContact CE1-CD1 3.9Å; Y196-L200 WeakPolarHBondContact O-CB 3.46Å; Y196-L200 PolarHBondContact O-N 2.82Å |
| 197 | A | 83.8 | Confident | 83.7 | Confident | 59 Ų | 59 | 91.8 Ų | 91.8 | 49% | 0.488 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.4 | -45.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | C193 K194 L199 L200 E201 | C193-A197 PolarHBondContact O-N 2.61Å; K194-A197 WeakPolarHBondContact O-CB 3.37Å; K194-A197 PolarHBondContact O-N 2.81Å; A197-L199 PolarHBondContact O-N 3.24Å; A197-L200 PolarHBondContact O-N 2.69Å; A197-E201 WeakPolarHBondContact O-CB 3.2Å; A197-E201 PolarHBondContact O-N 3.11Å |
| 198 | E | 84.9 | Confident | 84.4 | Confident | 72 Ų | 72 | 94.2 Ų | 94.2 | 34% | 0.336 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -55.3 | -47.5 | 173.8 | -72.2 | 171.6 | -170.8 | 0 | 0 | 111.4 | K194 K195 E201 E202 | K194-E198 WeakPolarHBondContact CE-OE1 3.45Å; K194-E198 IonicContact NZ-OE1 3.27Å; K194-E198 PolarHBondContact NZ-OE1 3.42Å; K194-E198 WeakPolarHBondContact O-CG 3.37Å; K194-E198 PolarHBondContact O-N 3.2Å; K195-E198 WeakPolarHBondContact CE-OE2 3.48Å; K195-E198 IonicContact NZ-OE2 2.7Å; K195-E198 PolarHBondContact NZ-OE2 2.84Å; E198-E201 PolarHBondContact O-N 3.12Å; E198-E202 WeakPolarHBondContact O-CB 3.49Å; E198-E202 PolarHBondContact O-N 3.48Å |
| 199 | L | 85.9 | Confident | 85.1 | Confident | 102 Ų | 102 | 96.9 Ų | 96.9 | 53% | 0.534 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.8 | -36.8 | 179.5 | -174.7 | 67.1 | 0 | 0 | 0 | 112.8 | K195 Y196 A197 E202 H203 | K195-L199 WeakPolarHBondContact O-CB 3.4Å; K195-L199 PolarHBondContact O-N 2.91Å; K195-L199 VanDerWaalsContact O-N 3.07Å; Y196-L199 PolarHBondContact O-N 2.92Å; A197-L199 PolarHBondContact O-N 3.24Å; L199-E202 PolarHBondContact O-N 3.45Å; L199-H203 WeakPolarHBondContact O-CB 3.48Å; L199-H203 PolarHBondContact O-N 2.95Å |
| 200 | L | 86.8 | Confident | 85.6 | Confident | 62 Ų | 62 | 96.4 Ų | 96.4 | 33% | 0.325 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -72.4 | -33.1 | 178.4 | -154.3 | 159.5 | 0 | 0 | 0 | 110.9 | Y196 A197 R204 | Y196-L200 HydrophobicContact CD1-CD1 4.4Å; Y196-L200 HydrophobicContact CE1-CD1 3.9Å; Y196-L200 WeakPolarHBondContact O-CB 3.46Å; Y196-L200 PolarHBondContact O-N 2.82Å; A197-L200 PolarHBondContact O-N 2.69Å; L200-R204 HydrophobicContact CD2-CG 4.32Å; L200-R204 VanDerWaalsContact CD2-CZ 3.43Å; L200-R204 WeakPolarHBondContact O-CB 3.28Å; L200-R204 VanDerWaalsContact O-CG 3.28Å; L200-R204 WeakPolarHBondContact O-CG 3.33Å; L200-R204 PolarHBondContact O-N 2.63Å |
| 201 | E | 86 | Confident | 86.2 | Confident | 118 Ų | 118 | 99.3 Ų | 99.3 | 55% | 0.551 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -69.6 | -43 | 169.1 | -179.7 | 149 | -131.1 | 0 | 0 | 112.4 | A197 E198 H203 R204 N205 | A197-E201 WeakPolarHBondContact O-CB 3.2Å; A197-E201 PolarHBondContact O-N 3.11Å; E198-E201 PolarHBondContact O-N 3.12Å; E201-H203 VanDerWaalsContact C-N 3.33Å; E201-H203 PolarHBondContact O-N 3.45Å; E201-R204 PolarHBondContact O-N 2.71Å; E201-N205 WeakPolarHBondContact CG-ND2 3.46Å; E201-N205 WeakPolarHBondContact O-CB 3.41Å; E201-N205 VanDerWaalsContact O-CG 3.24Å; E201-N205 PolarHBondContact O-N 2.8Å; E201-N205 PolarHBondContact O-ND2 3Å |
| 202 | E | 85.7 | Confident | 86.9 | Confident | 121 Ų | 121 | 103.7 Ų | 103.7 | 57% | 0.565 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.1 | -41.8 | 173 | -175.4 | 177.8 | -163.5 | 0 | 0 | 111.5 | E198 L199 N205 S206 | E198-E202 WeakPolarHBondContact O-CB 3.49Å; E198-E202 PolarHBondContact O-N 3.48Å; L199-E202 PolarHBondContact O-N 3.45Å; E202-N205 PolarHBondContact O-N 2.96Å; E202-S206 VanDerWaalsContact O-CB 3.26Å; E202-S206 WeakPolarHBondContact O-CB 3.36Å; E202-S206 PolarHBondContact O-N 3.49Å; E202-S206 PolarHBondContact O-OG 3.42Å |
| 203 | H | 86.4 | Confident | 87.3 | Confident | 118 Ų | 118 | 104.6 Ų | 104.6 | 55% | 0.546 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.9 | -42.5 | 174 | -180 | -99.8 | 0 | 0 | 0 | 112 | L199 E201 N205 S206 Q207 | L199-H203 WeakPolarHBondContact O-CB 3.48Å; L199-H203 PolarHBondContact O-N 2.95Å; E201-H203 VanDerWaalsContact C-N 3.33Å; E201-H203 PolarHBondContact O-N 3.45Å; H203-N205 VanDerWaalsContact C-N 3.34Å; H203-N205 PolarHBondContact O-N 2.98Å; H203-S206 PolarHBondContact O-N 3.13Å; H203-Q207 VanDerWaalsContact O-CB 3.32Å; H203-Q207 WeakPolarHBondContact O-CB 3.45Å; H203-Q207 PolarHBondContact O-N 2.91Å |
| 204 | R | 88.7 | Confident | 87.8 | Confident | 153 Ų | 153 | 106.8 Ų | 106.8 | 58% | 0.577 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.3 | -41.4 | 173.7 | -80 | 169.4 | 169.4 | 163.8 | -1.4 | 111.8 | L200 E201 Q207 K208 | L200-R204 HydrophobicContact CD2-CG 4.32Å; L200-R204 VanDerWaalsContact CD2-CZ 3.43Å; L200-R204 WeakPolarHBondContact O-CB 3.28Å; L200-R204 VanDerWaalsContact O-CG 3.28Å; L200-R204 WeakPolarHBondContact O-CG 3.33Å; L200-R204 PolarHBondContact O-N 2.63Å; E201-R204 PolarHBondContact O-N 2.71Å; R204-Q207 PolarHBondContact O-N 3.48Å; R204-K208 VanDerWaalsContact O-CG 3.29Å; R204-K208 WeakPolarHBondContact O-CG 3.38Å; R204-K208 PolarHBondContact O-N 2.79Å |
| 205 | N | 88.8 | Confident | 88.3 | Confident | 68 Ų | 68 | 106.7 Ų | 106.7 | 36% | 0.364 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -70.7 | -42 | 178.6 | -68.9 | -23.9 | 0 | 0 | 0 | 111.6 | E201 E202 H203 Q207 K208 Q209 | E201-N205 WeakPolarHBondContact CG-ND2 3.46Å; E201-N205 WeakPolarHBondContact O-CB 3.41Å; E201-N205 VanDerWaalsContact O-CG 3.24Å; E201-N205 PolarHBondContact O-N 2.8Å; E201-N205 PolarHBondContact O-ND2 3Å; E202-N205 PolarHBondContact O-N 2.96Å; H203-N205 VanDerWaalsContact C-N 3.34Å; H203-N205 PolarHBondContact O-N 2.98Å; N205-Q207 VanDerWaalsContact C-N 3.3Å; N205-Q207 PolarHBondContact O-N 3.35Å; N205-K208 WeakPolarHBondContact O-CB 3.34Å; N205-K208 PolarHBondContact O-N 3.46Å; N205-K208 PolarHBondContact OD1-NZ 3.18Å; N205-Q209 WeakPolarHBondContact O-CB 3.48Å; N205-Q209 PolarHBondContact O-N 2.91Å |
| 206 | S | 86.7 | Confident | 88.7 | Confident | 57 Ų | 57 | 107.4 Ų | 107.4 | 40% | 0.399 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -57.9 | -40.6 | 169.7 | -60.1 | 0 | 0 | 0 | 0 | 112 | E202 H203 Q209 M210 | E202-S206 VanDerWaalsContact O-CB 3.26Å; E202-S206 WeakPolarHBondContact O-CB 3.36Å; E202-S206 PolarHBondContact O-N 3.49Å; E202-S206 PolarHBondContact O-OG 3.42Å; H203-S206 PolarHBondContact O-N 3.13Å; S206-Q209 PolarHBondContact O-N 3.36Å; S206-M210 WeakPolarHBondContact O-CB 3.48Å; S206-M210 PolarHBondContact O-N 2.88Å |
| 207 | Q | 88.6 | Confident | 89.1 | Confident | 85 Ų | 85 | 106.1 Ų | 106.1 | 40% | 0.397 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70.9 | -37.7 | 177.9 | -164.2 | -172.9 | 54.6 | 0 | 0 | 112.3 | H203 R204 N205 K211 | H203-Q207 VanDerWaalsContact O-CB 3.32Å; H203-Q207 WeakPolarHBondContact O-CB 3.45Å; H203-Q207 PolarHBondContact O-N 2.91Å; R204-Q207 PolarHBondContact O-N 3.48Å; N205-Q207 VanDerWaalsContact C-N 3.3Å; N205-Q207 PolarHBondContact O-N 3.35Å; Q207-K211 WeakPolarHBondContact O-CG 3.38Å; Q207-K211 PolarHBondContact O-N 2.81Å |
| 208 | K | 91 | Very high | 89.6 | Confident | 129 Ų | 129 | 106.4 Ų | 106.4 | 56% | 0.561 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.7 | -47.6 | 169.7 | -69 | 166.4 | -163.5 | 166.3 | 0 | 110.3 | R204 N205 K211 L212 | R204-K208 VanDerWaalsContact O-CG 3.29Å; R204-K208 WeakPolarHBondContact O-CG 3.38Å; R204-K208 PolarHBondContact O-N 2.79Å; N205-K208 WeakPolarHBondContact O-CB 3.34Å; N205-K208 PolarHBondContact O-N 3.46Å; N205-K208 PolarHBondContact OD1-NZ 3.18Å; K208-K211 PolarHBondContact O-N 3.03Å; K208-L212 WeakPolarHBondContact O-CB 3.32Å; K208-L212 PolarHBondContact O-N 3.09Å |
| 209 | Q | 90.9 | Very high | 90 | Very high | 122 Ų | 122 | 107 Ų | 107 | 57% | 0.57 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.3 | -41.5 | -179.8 | -167 | 178.7 | 25.6 | 0 | 0 | 111.9 | N205 S206 L212 L213 | N205-Q209 WeakPolarHBondContact O-CB 3.48Å; N205-Q209 PolarHBondContact O-N 2.91Å; S206-Q209 PolarHBondContact O-N 3.36Å; Q209-L212 PolarHBondContact O-N 3.08Å; Q209-L213 HydrophobicContact CG-CD1 4.21Å; Q209-L213 WeakPolarHBondContact O-CB 3.48Å; Q209-L213 VanDerWaalsContact O-CG 3.31Å; Q209-L213 WeakPolarHBondContact O-CG 3.48Å; Q209-L213 PolarHBondContact O-N 3.44Å |
| 210 | M | 89.6 | Confident | 90.4 | Very high | 104 Ų | 104 | 106.5 Ų | 106.5 | 51% | 0.512 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.3 | -45.4 | 174.8 | -177.8 | -87.3 | -79.2 | 0 | 0 | 111.8 | S206 L212 L213 Q214 | S206-M210 WeakPolarHBondContact O-CB 3.48Å; S206-M210 PolarHBondContact O-N 2.88Å; M210-L212 VanDerWaalsContact C-N 3.33Å; M210-L212 PolarHBondContact O-N 2.9Å; M210-L213 PolarHBondContact O-N 2.72Å; M210-Q214 WeakPolarHBondContact O-CB 3.35Å; M210-Q214 PolarHBondContact O-N 3.31Å |
| 211 | K | 92 | Very high | 90.8 | Very high | 123 Ų | 123 | 106.7 Ų | 106.7 | 54% | 0.535 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.9 | -38.7 | 174.4 | -74 | 176.1 | 177 | 179.8 | 0 | 112.5 | Q207 K208 K215 | Q207-K211 WeakPolarHBondContact O-CG 3.38Å; Q207-K211 PolarHBondContact O-N 2.81Å; K208-K211 PolarHBondContact O-N 3.03Å; K211-K215 WeakPolarHBondContact O-CB 3.31Å; K211-K215 PolarHBondContact O-N 3.41Å |
| 212 | L | 92.5 | Very high | 91.2 | Very high | 121 Ų | 121 | 107.3 Ų | 107.3 | 63% | 0.634 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.1 | -44.5 | 175.7 | -179.3 | 62.5 | 0 | 0 | 0 | 111.8 | K208 Q209 M210 K215 K216 | K208-L212 WeakPolarHBondContact O-CB 3.32Å; K208-L212 PolarHBondContact O-N 3.09Å; Q209-L212 PolarHBondContact O-N 3.08Å; M210-L212 VanDerWaalsContact C-N 3.33Å; M210-L212 PolarHBondContact O-N 2.9Å; L212-K215 PolarHBondContact O-N 2.75Å; L212-K216 WeakPolarHBondContact O-CB 3.45Å; L212-K216 PolarHBondContact O-N 2.94Å |
| 213 | L | 92.1 | Very high | 91.6 | Very high | 105 Ų | 105 | 106.2 Ų | 106.2 | 55% | 0.55 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.6 | -38.9 | 175.9 | -72.3 | 171 | 0 | 0 | 0 | 111.9 | Q209 M210 K216 Q217 | Q209-L213 HydrophobicContact CG-CD1 4.21Å; Q209-L213 WeakPolarHBondContact O-CB 3.48Å; Q209-L213 VanDerWaalsContact O-CG 3.31Å; Q209-L213 WeakPolarHBondContact O-CG 3.48Å; Q209-L213 PolarHBondContact O-N 3.44Å; M210-L213 PolarHBondContact O-N 2.72Å; L213-K216 PolarHBondContact O-N 2.84Å; L213-Q217 WeakPolarHBondContact O-CB 3.38Å; L213-Q217 PolarHBondContact O-N 3.44Å |
| 214 | Q | 91.6 | Very high | 92 | Very high | 119 Ų | 119 | 105.7 Ų | 105.7 | 56% | 0.556 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.2 | -41.4 | 174.7 | -170.7 | -178.4 | 22.7 | 0 | 0 | 111.6 | M210 Q217 S218 | M210-Q214 WeakPolarHBondContact O-CB 3.35Å; M210-Q214 PolarHBondContact O-N 3.31Å; Q214-Q217 PolarHBondContact O-N 3.32Å; Q214-S218 PolarHBondContact O-N 2.77Å |
| 215 | K | 93.4 | Very high | 92.3 | Very high | 134 Ų | 134 | 101.7 Ų | 101.7 | 58% | 0.583 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.7 | -46.5 | 172.2 | -172.6 | 179.5 | 176.6 | 179.9 | 0 | 110.9 | K211 L212 Q217 S218 Q219 | K211-K215 WeakPolarHBondContact O-CB 3.31Å; K211-K215 PolarHBondContact O-N 3.41Å; L212-K215 PolarHBondContact O-N 2.75Å; K215-Q217 VanDerWaalsContact C-N 3.33Å; K215-Q217 PolarHBondContact O-N 2.81Å; K215-S218 WeakPolarHBondContact O-CB 3.27Å; K215-S218 PolarHBondContact O-N 3.47Å; K215-Q219 WeakPolarHBondContact O-CG 3.29Å; K215-Q219 PolarHBondContact O-N 2.84Å |
| 216 | K | 94 | Very high | 92.5 | Very high | 127 Ų | 127 | 103.9 Ų | 103.9 | 55% | 0.552 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.5 | -37.6 | 177 | -170.2 | 173.7 | -177.5 | 177.8 | 0 | 112.3 | L212 L213 Q219 L220 | L212-K216 WeakPolarHBondContact O-CB 3.45Å; L212-K216 PolarHBondContact O-N 2.94Å; L213-K216 PolarHBondContact O-N 2.84Å; K216-Q219 PolarHBondContact O-N 3.03Å; K216-L220 HydrophobicContact CG-CD1 4.08Å; K216-L220 HydrophobicContact CG-CG 4.43Å; K216-L220 WeakPolarHBondContact O-CB 3.33Å; K216-L220 VanDerWaalsContact O-CG 3.27Å; K216-L220 WeakPolarHBondContact O-CG 3.42Å; K216-L220 PolarHBondContact O-N 3.36Å |
| 217 | Q | 92.4 | Very high | 93 | Very high | 129 Ų | 129 | 106.2 Ų | 106.2 | 60% | 0.603 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.6 | -45.2 | 173.5 | -175.1 | -174.5 | 11.6 | 0 | 0 | 111.2 | L213 Q214 K215 L220 V221 | L213-Q217 WeakPolarHBondContact O-CB 3.38Å; L213-Q217 PolarHBondContact O-N 3.44Å; Q214-Q217 PolarHBondContact O-N 3.32Å; K215-Q217 VanDerWaalsContact C-N 3.33Å; K215-Q217 PolarHBondContact O-N 2.81Å; Q217-L220 PolarHBondContact O-N 3.04Å; Q217-V221 WeakPolarHBondContact O-CG2 3.47Å; Q217-V221 PolarHBondContact O-N 3.42Å |
| 218 | S | 93.1 | Very high | 93.3 | Very high | 65 Ų | 65 | 110.3 Ų | 110.3 | 46% | 0.455 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 176.4 | -168.6 | 0 | 0 | 0 | 0 | 111.9 | Q214 K215 V221 Q222 | Q214-S218 PolarHBondContact O-N 2.77Å; K215-S218 WeakPolarHBondContact O-CB 3.27Å; K215-S218 PolarHBondContact O-N 3.47Å; S218-V221 PolarHBondContact O-N 3.4Å; S218-Q222 WeakPolarHBondContact O-CG 3.47Å; S218-Q222 PolarHBondContact O-N 2.94Å |
| 219 | Q | 94.6 | Very high | 93.4 | Very high | 85 Ų | 85 | 105.7 Ų | 105.7 | 40% | 0.397 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.3 | -49.6 | 174.7 | -68.8 | 175.1 | -78.9 | 0 | 0 | 111.7 | K215 K216 V221 Q222 E223 | K215-Q219 WeakPolarHBondContact O-CG 3.29Å; K215-Q219 PolarHBondContact O-N 2.84Å; K216-Q219 PolarHBondContact O-N 3.03Å; Q219-V221 VanDerWaalsContact C-N 3.28Å; Q219-V221 PolarHBondContact O-N 2.89Å; Q219-Q222 PolarHBondContact O-N 3.43Å; Q219-Q222 VanDerWaalsContact O-N 3.11Å; Q219-E223 WeakPolarHBondContact O-CB 3.43Å; Q219-E223 VanDerWaalsContact O-CG 3.31Å; Q219-E223 WeakPolarHBondContact O-CG 3.32Å; Q219-E223 PolarHBondContact O-N 3.43Å |
| 220 | L | 93.9 | Very high | 93.6 | Very high | 91 Ų | 91 | 104.2 Ų | 104.2 | 48% | 0.476 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.9 | -33.5 | 177.2 | -73.7 | 167.6 | 0 | 0 | 0 | 112.9 | K216 Q217 K224 | K216-L220 HydrophobicContact CG-CD1 4.08Å; K216-L220 HydrophobicContact CG-CG 4.43Å; K216-L220 WeakPolarHBondContact O-CB 3.33Å; K216-L220 VanDerWaalsContact O-CG 3.27Å; K216-L220 WeakPolarHBondContact O-CG 3.42Å; K216-L220 PolarHBondContact O-N 3.36Å; Q217-L220 PolarHBondContact O-N 3.04Å; L220-K224 WeakPolarHBondContact O-CB 3.49Å; L220-K224 PolarHBondContact O-N 3.47Å |
| 221 | V | 94.4 | Very high | 93.9 | Very high | 66 Ų | 66 | 105.2 Ų | 105.2 | 40% | 0.4 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.3 | -45.4 | 173.6 | 168 | 0 | 0 | 0 | 0 | 110.9 | Q217 S218 Q219 K224 D225 | Q217-V221 WeakPolarHBondContact O-CG2 3.47Å; Q217-V221 PolarHBondContact O-N 3.42Å; S218-V221 PolarHBondContact O-N 3.4Å; Q219-V221 VanDerWaalsContact C-N 3.28Å; Q219-V221 PolarHBondContact O-N 2.89Å; V221-K224 PolarHBondContact O-N 3.19Å; V221-D225 PolarHBondContact O-N 3.21Å |
| 222 | Q | 94.5 | Very high | 94.1 | Very high | 131 Ų | 131 | 102.3 Ų | 102.3 | 61% | 0.612 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.8 | -44.8 | 176.5 | -71.7 | 174.5 | -8.7 | 0 | 0 | 111.9 | S218 Q219 D225 H226 | S218-Q222 WeakPolarHBondContact O-CG 3.47Å; S218-Q222 PolarHBondContact O-N 2.94Å; Q219-Q222 PolarHBondContact O-N 3.43Å; Q219-Q222 VanDerWaalsContact O-N 3.11Å; Q222-D225 PolarHBondContact O-N 2.92Å; Q222-H226 VanDerWaalsContact O-CB 3.23Å; Q222-H226 WeakPolarHBondContact O-CB 3.2Å; Q222-H226 PolarHBondContact O-N 2.92Å |
| 223 | E | 94.1 | Very high | 94.3 | Very high | 99 Ų | 99 | 103.8 Ų | 103.8 | 46% | 0.463 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.6 | -46.4 | 174 | -72.3 | 163.2 | -165.3 | 0 | 0 | 111.1 | Q219 D225 H226 L227 | Q219-E223 WeakPolarHBondContact O-CB 3.43Å; Q219-E223 VanDerWaalsContact O-CG 3.31Å; Q219-E223 WeakPolarHBondContact O-CG 3.32Å; Q219-E223 PolarHBondContact O-N 3.43Å; E223-D225 PolarHBondContact O-N 2.83Å; E223-H226 PolarHBondContact O-N 3.44Å; E223-L227 WeakPolarHBondContact O-CB 3.25Å; E223-L227 VanDerWaalsContact O-CG 3.27Å; E223-L227 WeakPolarHBondContact O-CG 3.48Å; E223-L227 PolarHBondContact O-N 3.05Å |
| 224 | K | 94.9 | Very high | 94.5 | Very high | 107 Ų | 107 | 101.5 Ų | 101.5 | 47% | 0.465 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.3 | -40 | 177.4 | 174.8 | -120.9 | 61.7 | -175.2 | 0 | 112.8 | L220 V221 R228 | L220-K224 WeakPolarHBondContact O-CB 3.49Å; L220-K224 PolarHBondContact O-N 3.47Å; V221-K224 PolarHBondContact O-N 3.19Å; K224-R228 VanDerWaalsContact O-CB 3.27Å; K224-R228 WeakPolarHBondContact O-CB 3.47Å; K224-R228 PolarHBondContact O-N 2.83Å |
| 225 | D | 94.1 | Very high | 94.7 | Very high | 68 Ų | 68 | 98.6 Ų | 98.6 | 36% | 0.364 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -76 | -31.9 | 176.8 | -75.4 | -45 | 0 | 0 | 0 | 112.5 | V221 Q222 E223 R228 G229 | V221-D225 PolarHBondContact O-N 3.21Å; Q222-D225 PolarHBondContact O-N 2.92Å; E223-D225 PolarHBondContact O-N 2.83Å; D225-R228 PolarHBondContact O-N 2.82Å; D225-G229 PolarHBondContact O-N 3.33Å |
| 226 | H | 94.4 | Very high | 94.8 | Very high | 114 Ų | 114 | 97.7 Ų | 97.7 | 53% | 0.528 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.6 | -53.9 | 170.6 | 176.5 | 31.4 | 0 | 0 | 0 | 111.1 | Q222 E223 R228 G229 E230 | Q222-H226 VanDerWaalsContact O-CB 3.23Å; Q222-H226 WeakPolarHBondContact O-CB 3.2Å; Q222-H226 PolarHBondContact O-N 2.92Å; E223-H226 PolarHBondContact O-N 3.44Å; H226-R228 VanDerWaalsContact C-N 3.28Å; H226-R228 PolarHBondContact O-N 3.46Å; H226-G229 WeakPolarHBondContact O-CA 3.49Å; H226-G229 PolarHBondContact O-N 3.39Å; H226-E230 IonicContact CE1-OE1 2.69Å; H226-E230 PolarHBondContact CE1-OE1 3.44Å; H226-E230 VanDerWaalsContact CE1-OE1 3.3Å; H226-E230 IonicContact NE2-OE1 3.3Å; H226-E230 PolarHBondContact O-N 2.8Å |
| 227 | L | 95.9 | Very high | 94.9 | Very high | 107 Ų | 107 | 94 Ų | 94 | 56% | 0.56 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -59.4 | -36.7 | 176.3 | -71.8 | 169.4 | 0 | 0 | 0 | 112.2 | E223 E230 H231 | E223-L227 WeakPolarHBondContact O-CB 3.25Å; E223-L227 VanDerWaalsContact O-CG 3.27Å; E223-L227 WeakPolarHBondContact O-CG 3.48Å; E223-L227 PolarHBondContact O-N 3.05Å; L227-E230 PolarHBondContact O-N 2.97Å; L227-H231 VanDerWaalsContact O-CB 3.32Å; L227-H231 WeakPolarHBondContact O-CB 3.25Å; L227-H231 PolarHBondContact O-N 3.4Å |
| 228 | R | 94.7 | Very high | 95.1 | Very high | 171 Ų | 171 | 95.2 Ų | 95.2 | 65% | 0.645 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.7 | -43.5 | 172.7 | -173.9 | -178.5 | -176.2 | -164.4 | 2.3 | 111.6 | K224 D225 H226 H231 S232 | K224-R228 VanDerWaalsContact O-CB 3.27Å; K224-R228 WeakPolarHBondContact O-CB 3.47Å; K224-R228 PolarHBondContact O-N 2.83Å; D225-R228 PolarHBondContact O-N 2.82Å; H226-R228 VanDerWaalsContact C-N 3.28Å; H226-R228 PolarHBondContact O-N 3.46Å; R228-H231 PolarHBondContact O-N 2.85Å; R228-S232 PolarHBondContact O-N 2.8Å; R228-S232 PolarHBondContact O-OG 2.8Å |
| 229 | G | 94.3 | Very high | 95.3 | Very high | 31 Ų | 31 | 94.9 Ų | 94.9 | 32% | 0.32 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.5 | -37.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | D225 H226 K233 | D225-G229 PolarHBondContact O-N 3.33Å; H226-G229 WeakPolarHBondContact O-CA 3.49Å; H226-G229 PolarHBondContact O-N 3.39Å; G229-K233 WeakPolarHBondContact O-CG 3.23Å; G229-K233 PolarHBondContact O-N 2.84Å; G229-K233 VanDerWaalsContact O-N 3.12Å |
| 230 | E | 95.2 | Very high | 95.4 | Very high | 91 Ų | 91 | 98 Ų | 98 | 43% | 0.425 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68 | -43.3 | 173.2 | -66.2 | -166.5 | 140.3 | 0 | 0 | 112.2 | H226 L227 S232 K233 A234 | H226-E230 IonicContact CE1-OE1 2.69Å; H226-E230 PolarHBondContact CE1-OE1 3.44Å; H226-E230 VanDerWaalsContact CE1-OE1 3.3Å; H226-E230 IonicContact NE2-OE1 3.3Å; H226-E230 PolarHBondContact O-N 2.8Å; L227-E230 PolarHBondContact O-N 2.97Å; E230-S232 VanDerWaalsContact C-N 3.34Å; E230-S232 PolarHBondContact O-N 2.85Å; E230-K233 WeakPolarHBondContact O-CB 3.36Å; E230-K233 PolarHBondContact O-N 3.27Å; E230-K233 VanDerWaalsContact O-N 3.16Å; E230-A234 WeakPolarHBondContact O-CB 3.4Å; E230-A234 PolarHBondContact O-N 3.07Å |
| 231 | H | 95.5 | Very high | 95.5 | Very high | 126 Ų | 126 | 99 Ų | 99 | 58% | 0.583 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -58.3 | -44.5 | 173.6 | -178.8 | 80.9 | 0 | 0 | 0 | 111.7 | L227 R228 K233 A234 V235 | L227-H231 VanDerWaalsContact O-CB 3.32Å; L227-H231 WeakPolarHBondContact O-CB 3.25Å; L227-H231 PolarHBondContact O-N 3.4Å; R228-H231 PolarHBondContact O-N 2.85Å; H231-K233 PolarHBondContact O-N 3.37Å; H231-A234 PolarHBondContact O-N 2.71Å; H231-V235 WeakPolarHBondContact O-CG2 3.26Å; H231-V235 PolarHBondContact O-N 2.89Å |
| 232 | S | 96.3 | Very high | 95.6 | Very high | 62 Ų | 62 | 99 Ų | 99 | 43% | 0.434 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.3 | -39.5 | 174.8 | -63.3 | 0 | 0 | 0 | 0 | 113 | R228 E230 L236 | R228-S232 PolarHBondContact O-N 2.8Å; R228-S232 PolarHBondContact O-OG 2.8Å; E230-S232 VanDerWaalsContact C-N 3.34Å; E230-S232 PolarHBondContact O-N 2.85Å; S232-L236 WeakPolarHBondContact O-CG 3.43Å; S232-L236 PolarHBondContact O-N 3.32Å; S232-L236 VanDerWaalsContact O-N 3.14Å |
| 233 | K | 96.8 | Very high | 95.7 | Very high | 152 Ų | 152 | 95.2 Ų | 95.2 | 66% | 0.661 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.9 | -42.7 | 173.1 | -69.8 | 168.5 | -176 | 175.9 | 0 | 111.7 | G229 E230 H231 L236 A237 | G229-K233 WeakPolarHBondContact O-CG 3.23Å; G229-K233 PolarHBondContact O-N 2.84Å; G229-K233 VanDerWaalsContact O-N 3.12Å; E230-K233 WeakPolarHBondContact O-CB 3.36Å; E230-K233 PolarHBondContact O-N 3.27Å; E230-K233 VanDerWaalsContact O-N 3.16Å; H231-K233 PolarHBondContact O-N 3.37Å; K233-L236 PolarHBondContact O-N 3.19Å; K233-A237 WeakPolarHBondContact O-CB 3.08Å; K233-A237 PolarHBondContact O-N 3.29Å |
| 234 | A | 95.9 | Very high | 95.8 | Very high | 57 Ų | 57 | 95.3 Ų | 95.3 | 47% | 0.471 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.7 | -41.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E230 H231 A237 R238 | E230-A234 WeakPolarHBondContact O-CB 3.4Å; E230-A234 PolarHBondContact O-N 3.07Å; H231-A234 PolarHBondContact O-N 2.71Å; A234-A237 PolarHBondContact O-N 2.99Å; A234-R238 WeakPolarHBondContact O-CB 3.27Å; A234-R238 PolarHBondContact O-N 3.25Å |
| 235 | V | 95.9 | Very high | 95.9 | Very high | 58 Ų | 58 | 93.4 Ų | 93.4 | 35% | 0.352 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.8 | -47.2 | 173.8 | 170.2 | 0 | 0 | 0 | 0 | 111 | H231 A237 R238 S239 | H231-V235 WeakPolarHBondContact O-CG2 3.26Å; H231-V235 PolarHBondContact O-N 2.89Å; V235-A237 VanDerWaalsContact C-N 3.34Å; V235-A237 PolarHBondContact O-N 2.61Å; V235-R238 WeakPolarHBondContact O-CB 3.49Å; V235-R238 PolarHBondContact O-N 3.48Å; V235-S239 PolarHBondContact O-N 2.82Å; V235-S239 PolarHBondContact O-OG 2.87Å |
| 236 | L | 96 | Very high | 96 | Very high | 115 Ų | 115 | 97.6 Ų | 97.6 | 60% | 0.602 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.8 | -38.4 | 176.9 | -71.7 | 171.2 | 0 | 0 | 0 | 112.8 | S232 K233 K240 | S232-L236 WeakPolarHBondContact O-CG 3.43Å; S232-L236 PolarHBondContact O-N 3.32Å; S232-L236 VanDerWaalsContact O-N 3.14Å; K233-L236 PolarHBondContact O-N 3.19Å; L236-K240 WeakPolarHBondContact O-CG 3.32Å; L236-K240 PolarHBondContact O-N 2.88Å; L236-K240 VanDerWaalsContact O-N 3.11Å |
| 237 | A | 96.3 | Very high | 96.1 | Very high | 49 Ų | 49 | 96 Ų | 96 | 41% | 0.405 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.7 | -42.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | K233 A234 V235 K240 L241 | K233-A237 WeakPolarHBondContact O-CB 3.08Å; K233-A237 PolarHBondContact O-N 3.29Å; A234-A237 PolarHBondContact O-N 2.99Å; V235-A237 VanDerWaalsContact C-N 3.34Å; V235-A237 PolarHBondContact O-N 2.61Å; A237-K240 PolarHBondContact O-N 3.47Å; A237-L241 WeakPolarHBondContact O-CG 3.34Å; A237-L241 PolarHBondContact O-N 2.85Å |
| 238 | R | 96.2 | Very high | 96.2 | Very high | 155 Ų | 155 | 96.2 Ų | 96.2 | 59% | 0.585 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.1 | -47.6 | 175.8 | -150 | -167.6 | 82.3 | -171.2 | 6.1 | 111.2 | A234 V235 K240 L241 E242 | A234-R238 WeakPolarHBondContact O-CB 3.27Å; A234-R238 PolarHBondContact O-N 3.25Å; V235-R238 WeakPolarHBondContact O-CB 3.49Å; V235-R238 PolarHBondContact O-N 3.48Å; R238-K240 VanDerWaalsContact C-N 3.34Å; R238-K240 PolarHBondContact O-N 2.67Å; R238-L241 PolarHBondContact O-N 3.39Å; R238-E242 IonicContact CZ-OE1 3.36Å; R238-E242 IonicContact NE-OE1 3.9Å; R238-E242 PolarHBondContact NE-OE1 3.15Å; R238-E242 IonicContact NH2-OE1 3.93Å; R238-E242 PolarHBondContact NH2-OE1 2.87Å; R238-E242 WeakPolarHBondContact O-CB 3.37Å; R238-E242 WeakPolarHBondContact O-CG 3.37Å; R238-E242 PolarHBondContact O-N 3.35Å |
| 239 | S | 96.8 | Very high | 96.2 | Very high | 57 Ų | 57 | 93.1 Ų | 93.1 | 40% | 0.399 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.6 | -37.8 | 177.3 | -58.5 | 0 | 0 | 0 | 0 | 113.2 | V235 S243 | V235-S239 PolarHBondContact O-N 2.82Å; V235-S239 PolarHBondContact O-OG 2.87Å; S239-S243 PolarHBondContact O-N 2.99Å |
| 240 | K | 97.1 | Very high | 96.4 | Very high | 152 Ų | 152 | 98.3 Ų | 98.3 | 66% | 0.661 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.7 | -45.5 | 173.9 | -74.9 | -178.8 | 177.6 | -172.1 | 0 | 112 | L236 A237 R238 S243 L244 | L236-K240 WeakPolarHBondContact O-CG 3.32Å; L236-K240 PolarHBondContact O-N 2.88Å; L236-K240 VanDerWaalsContact O-N 3.11Å; A237-K240 PolarHBondContact O-N 3.47Å; R238-K240 VanDerWaalsContact C-N 3.34Å; R238-K240 PolarHBondContact O-N 2.67Å; K240-S243 PolarHBondContact O-N 2.96Å; K240-L244 WeakPolarHBondContact O-CG 3.37Å; K240-L244 PolarHBondContact O-N 3.48Å |
| 241 | L | 96.6 | Very high | 96.5 | Very high | 111 Ų | 111 | 99.6 Ų | 99.6 | 58% | 0.581 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.7 | -40.4 | 175.8 | -69.5 | 171.3 | 0 | 0 | 0 | 111.6 | A237 R238 S243 L244 C245 | A237-L241 WeakPolarHBondContact O-CG 3.34Å; A237-L241 PolarHBondContact O-N 2.85Å; R238-L241 PolarHBondContact O-N 3.39Å; L241-S243 PolarHBondContact O-N 2.86Å; L241-L244 PolarHBondContact O-N 3.47Å; L241-C245 VanDerWaalsContact O-CB 3.31Å; L241-C245 WeakPolarHBondContact O-CB 3.19Å; L241-C245 PolarHBondContact O-N 3.43Å; L241-C245 PolarHBondContact O-SG 2.95Å |
| 242 | E | 95.8 | Very high | 96.5 | Very high | 67 Ų | 67 | 97.4 Ų | 97.4 | 31% | 0.313 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.4 | -41.9 | 173.4 | -76.2 | 177.4 | -135.3 | 0 | 0 | 112.2 | R238 R246 | R238-E242 IonicContact CZ-OE1 3.36Å; R238-E242 IonicContact NE-OE1 3.9Å; R238-E242 PolarHBondContact NE-OE1 3.15Å; R238-E242 IonicContact NH2-OE1 3.93Å; R238-E242 PolarHBondContact NH2-OE1 2.87Å; R238-E242 WeakPolarHBondContact O-CB 3.37Å; R238-E242 WeakPolarHBondContact O-CG 3.37Å; R238-E242 PolarHBondContact O-N 3.35Å; E242-R246 WeakPolarHBondContact O-CB 3.39Å; E242-R246 WeakPolarHBondContact O-CG 3.29Å; E242-R246 PolarHBondContact O-N 2.96Å |
| 243 | S | 96.9 | Very high | 96.5 | Very high | 51 Ų | 51 | 100 Ų | 100 | 36% | 0.357 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.7 | -49.9 | 175.6 | -155.4 | 0 | 0 | 0 | 0 | 111.6 | S239 K240 L241 C245 R246 E247 | S239-S243 PolarHBondContact O-N 2.99Å; K240-S243 PolarHBondContact O-N 2.96Å; L241-S243 PolarHBondContact O-N 2.86Å; S243-C245 VanDerWaalsContact C-N 3.3Å; S243-C245 PolarHBondContact O-N 3.4Å; S243-R246 CarbonylContact O-C 3.56Å; S243-R246 WeakPolarHBondContact O-CA 3.41Å; S243-R246 WeakPolarHBondContact O-CB 3.42Å; S243-R246 PolarHBondContact O-N 3.24Å; S243-E247 WeakPolarHBondContact O-CB 3.46Å; S243-E247 WeakPolarHBondContact O-CG 3.42Å; S243-E247 PolarHBondContact O-N 2.95Å; S243-E247 PolarHBondContact OG-OE1 3.46Å |
| 244 | L | 96.8 | Very high | 96.4 | Very high | 100 Ų | 100 | 95.1 Ų | 95.1 | 52% | 0.524 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.2 | -38.7 | 178.5 | -70.7 | 170 | 0 | 0 | 0 | 112 | K240 L241 E247 L248 | K240-L244 WeakPolarHBondContact O-CG 3.37Å; K240-L244 PolarHBondContact O-N 3.48Å; L241-L244 PolarHBondContact O-N 3.47Å; L244-E247 PolarHBondContact O-N 3.22Å; L244-L248 VanDerWaalsContact O-CB 3.24Å; L244-L248 WeakPolarHBondContact O-CB 3.29Å; L244-L248 PolarHBondContact O-N 3.43Å |
| 245 | C | 95.8 | Very high | 96.5 | Very high | 67 Ų | 67 | 96.7 Ų | 96.7 | 45% | 0.453 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.9 | -41 | 172.6 | -72.6 | 0 | 0 | 0 | 0 | 112.1 | L241 S243 E247 Q249 | L241-C245 VanDerWaalsContact O-CB 3.31Å; L241-C245 WeakPolarHBondContact O-CB 3.19Å; L241-C245 PolarHBondContact O-N 3.43Å; L241-C245 PolarHBondContact O-SG 2.95Å; S243-C245 VanDerWaalsContact C-N 3.3Å; S243-C245 PolarHBondContact O-N 3.4Å; C245-E247 VanDerWaalsContact C-N 3.32Å; C245-E247 PolarHBondContact O-N 2.94Å; C245-Q249 VanDerWaalsContact O-CB 3.25Å; C245-Q249 WeakPolarHBondContact O-CB 3.5Å; C245-Q249 WeakPolarHBondContact O-CG 3.44Å; C245-Q249 PolarHBondContact O-N 3.34Å |
| 246 | R | 97.3 | Very high | 96.5 | Very high | 157 Ų | 157 | 100.9 Ų | 100.9 | 59% | 0.592 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -67 | -30.5 | 174.6 | -71.9 | 168.6 | -172.7 | -122.2 | 6.7 | 112.7 | E242 S243 R250 | E242-R246 WeakPolarHBondContact O-CB 3.39Å; E242-R246 WeakPolarHBondContact O-CG 3.29Å; E242-R246 PolarHBondContact O-N 2.96Å; S243-R246 CarbonylContact O-C 3.56Å; S243-R246 WeakPolarHBondContact O-CA 3.41Å; S243-R246 WeakPolarHBondContact O-CB 3.42Å; S243-R246 PolarHBondContact O-N 3.24Å; R246-R250 WeakPolarHBondContact O-CB 3.37Å; R246-R250 WeakPolarHBondContact O-CG 3.44Å; R246-R250 PolarHBondContact O-N 2.92Å; R246-R250 VanDerWaalsContact O-N 3.13Å; R246-R250 PolarHBondContact O-NE 2.78Å |
| 247 | E | 96.8 | Very high | 96.5 | Very high | 80 Ų | 80 | 101.1 Ų | 101.1 | 37% | 0.374 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -74.4 | -49.6 | 175.3 | -73.3 | 157.2 | -143.5 | 0 | 0 | 110.9 | S243 L244 C245 Q249 R250 H251 | S243-E247 WeakPolarHBondContact O-CB 3.46Å; S243-E247 WeakPolarHBondContact O-CG 3.42Å; S243-E247 PolarHBondContact O-N 2.95Å; S243-E247 PolarHBondContact OG-OE1 3.46Å; L244-E247 PolarHBondContact O-N 3.22Å; C245-E247 VanDerWaalsContact C-N 3.32Å; C245-E247 PolarHBondContact O-N 2.94Å; E247-Q249 VanDerWaalsContact C-N 3.29Å; E247-Q249 PolarHBondContact O-N 2.89Å; E247-R250 WeakPolarHBondContact O-CA 3.48Å; E247-R250 WeakPolarHBondContact O-CB 3.45Å; E247-R250 PolarHBondContact O-N 2.9Å; E247-H251 PolarHBondContact O-N 3.26Å |
| 248 | L | 96.4 | Very high | 96.4 | Very high | 111 Ų | 111 | 103 Ų | 103 | 58% | 0.581 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -59.6 | -39.4 | 174.8 | -176.4 | 62.8 | 0 | 0 | 0 | 111.7 | L244 H251 N252 | L244-L248 VanDerWaalsContact O-CB 3.24Å; L244-L248 WeakPolarHBondContact O-CB 3.29Å; L244-L248 PolarHBondContact O-N 3.43Å; L248-H251 PolarHBondContact O-N 3.45Å; L248-N252 WeakPolarHBondContact CD1-ND2 3.3Å; L248-N252 VanDerWaalsContact O-CB 3.31Å; L248-N252 WeakPolarHBondContact O-CB 3.47Å; L248-N252 PolarHBondContact O-N 2.95Å; L248-N252 PolarHBondContact O-ND2 3.42Å |
| 249 | Q | 96.4 | Very high | 96.4 | Very high | 107 Ų | 107 | 97 Ų | 97 | 50% | 0.5 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.9 | -35.3 | 172.9 | -76.9 | 175.5 | 10.5 | 0 | 0 | 113.1 | C245 E247 R253 | C245-Q249 VanDerWaalsContact O-CB 3.25Å; C245-Q249 WeakPolarHBondContact O-CB 3.5Å; C245-Q249 WeakPolarHBondContact O-CG 3.44Å; C245-Q249 PolarHBondContact O-N 3.34Å; E247-Q249 VanDerWaalsContact C-N 3.29Å; E247-Q249 PolarHBondContact O-N 2.89Å; Q249-R253 WeakPolarHBondContact O-CG 3.47Å; Q249-R253 PolarHBondContact O-N 2.84Å; Q249-R253 VanDerWaalsContact O-N 3.12Å |
| 250 | R | 97.5 | Very high | 96.4 | Very high | 139 Ų | 139 | 97.9 Ų | 97.9 | 53% | 0.525 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.7 | -46.9 | 172.6 | -83.3 | 180 | -74.8 | 151.6 | -12.9 | 111 | R246 E247 N252 R253 S254 | R246-R250 WeakPolarHBondContact O-CB 3.37Å; R246-R250 WeakPolarHBondContact O-CG 3.44Å; R246-R250 PolarHBondContact O-N 2.92Å; R246-R250 VanDerWaalsContact O-N 3.13Å; R246-R250 PolarHBondContact O-NE 2.78Å; E247-R250 WeakPolarHBondContact O-CA 3.48Å; E247-R250 WeakPolarHBondContact O-CB 3.45Å; E247-R250 PolarHBondContact O-N 2.9Å; R250-N252 VanDerWaalsContact C-N 3.32Å; R250-N252 PolarHBondContact O-N 3.5Å; R250-R253 WeakPolarHBondContact O-CB 3.39Å; R250-R253 PolarHBondContact O-N 3.23Å; R250-S254 PolarHBondContact O-N 2.93Å |
| 251 | H | 96.6 | Very high | 96.3 | Very high | 118 Ų | 118 | 94.2 Ų | 94.2 | 55% | 0.546 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.7 | -36.2 | 176.8 | -167.1 | -49.8 | 0 | 0 | 0 | 112.3 | E247 L248 R253 L255 | E247-H251 PolarHBondContact O-N 3.26Å; L248-H251 PolarHBondContact O-N 3.45Å; H251-R253 VanDerWaalsContact C-N 3.27Å; H251-R253 PolarHBondContact O-N 3.43Å; H251-L255 WeakPolarHBondContact O-CB 3.35Å; H251-L255 PolarHBondContact O-N 2.96Å |
| 252 | N | 95.8 | Very high | 96.3 | Very high | 80 Ų | 80 | 96 Ų | 96 | 43% | 0.428 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -72.2 | -17.9 | 174 | -87.4 | -95 | 0 | 0 | 0 | 113.6 | L248 R250 K256 | L248-N252 WeakPolarHBondContact CD1-ND2 3.3Å; L248-N252 VanDerWaalsContact O-CB 3.31Å; L248-N252 WeakPolarHBondContact O-CB 3.47Å; L248-N252 PolarHBondContact O-N 2.95Å; L248-N252 PolarHBondContact O-ND2 3.42Å; R250-N252 VanDerWaalsContact C-N 3.32Å; R250-N252 PolarHBondContact O-N 3.5Å; N252-K256 VanDerWaalsContact O-CD 3.32Å; N252-K256 WeakPolarHBondContact O-CD 3.47Å; N252-K256 VanDerWaalsContact O-CG 3.23Å; N252-K256 WeakPolarHBondContact O-CG 3.48Å |
| 253 | R | 96.4 | Very high | 96.3 | Very high | 117 Ų | 117 | 95.6 Ų | 95.6 | 44% | 0.442 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -81.9 | -54.1 | 168.5 | -81.4 | -170.8 | -65.3 | -91.3 | 1.8 | 110.4 | Q249 R250 H251 L255 K256 E257 | Q249-R253 WeakPolarHBondContact O-CG 3.47Å; Q249-R253 PolarHBondContact O-N 2.84Å; Q249-R253 VanDerWaalsContact O-N 3.12Å; R250-R253 WeakPolarHBondContact O-CB 3.39Å; R250-R253 PolarHBondContact O-N 3.23Å; H251-R253 VanDerWaalsContact C-N 3.27Å; H251-R253 PolarHBondContact O-N 3.43Å; R253-L255 PolarHBondContact O-N 3.24Å; R253-K256 WeakPolarHBondContact O-CA 3.27Å; R253-K256 WeakPolarHBondContact O-CB 3.17Å; R253-K256 PolarHBondContact O-N 3.46Å; R253-E257 WeakPolarHBondContact CB-OE1 3.26Å; R253-E257 WeakPolarHBondContact O-CG 3.44Å; R253-E257 PolarHBondContact O-N 3.13Å |
| 254 | S | 96 | Very high | 96.3 | Very high | 50 Ų | 50 | 99.3 Ų | 99.3 | 35% | 0.35 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -49.1 | -52.4 | 175.2 | -158.6 | 0 | 0 | 0 | 0 | 112.1 | R250 K256 E257 E258 | R250-S254 PolarHBondContact O-N 2.93Å; S254-K256 VanDerWaalsContact C-N 3.27Å; S254-K256 PolarHBondContact O-N 3.48Å; S254-E257 CarbonylContact O-C 3.58Å; S254-E257 PolarHBondContact O-N 3.49Å; S254-E257 VanDerWaalsContact O-N 3.08Å; S254-E258 VanDerWaalsContact CB-OE1 3.32Å; S254-E258 WeakPolarHBondContact CB-OE1 3.45Å; S254-E258 WeakPolarHBondContact O-CB 3.29Å; S254-E258 WeakPolarHBondContact O-CG 3.43Å; S254-E258 PolarHBondContact O-N 3.44Å; S254-E258 PolarHBondContact OG-OE1 3.32Å |
| 255 | L | 96.3 | Very high | 96.3 | Very high | 90 Ų | 90 | 97.9 Ų | 97.9 | 47% | 0.471 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.3 | -27.6 | -179.5 | -175.8 | 147.6 | 0 | 0 | 0 | 113.7 | H251 R253 G259 | H251-L255 WeakPolarHBondContact O-CB 3.35Å; H251-L255 PolarHBondContact O-N 2.96Å; R253-L255 PolarHBondContact O-N 3.24Å; L255-G259 PolarHBondContact O-N 2.99Å |
| 256 | K | 96.3 | Very high | 96.3 | Very high | 146 Ų | 146 | 99.7 Ų | 99.7 | 64% | 0.635 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -77.7 | -40.9 | 172.4 | -74.4 | 177.9 | -176.8 | -173.8 | 0 | 111.6 | N252 R253 S254 G259 V260 | N252-K256 VanDerWaalsContact O-CD 3.32Å; N252-K256 WeakPolarHBondContact O-CD 3.47Å; N252-K256 VanDerWaalsContact O-CG 3.23Å; N252-K256 WeakPolarHBondContact O-CG 3.48Å; R253-K256 WeakPolarHBondContact O-CA 3.27Å; R253-K256 WeakPolarHBondContact O-CB 3.17Å; R253-K256 PolarHBondContact O-N 3.46Å; S254-K256 VanDerWaalsContact C-N 3.27Å; S254-K256 PolarHBondContact O-N 3.48Å; K256-G259 PolarHBondContact O-N 2.78Å; K256-V260 WeakPolarHBondContact O-CG2 3.42Å; K256-V260 PolarHBondContact O-N 2.92Å |
| 257 | E | 95.8 | Very high | 96.2 | Very high | 120 Ų | 120 | 97.1 Ų | 97.1 | 56% | 0.561 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -63.9 | -48.9 | 176.9 | -72 | 151.7 | -154.1 | 0 | 0 | 110.2 | R253 S254 G259 V260 Q261 | R253-E257 WeakPolarHBondContact CB-OE1 3.26Å; R253-E257 WeakPolarHBondContact O-CG 3.44Å; R253-E257 PolarHBondContact O-N 3.13Å; S254-E257 CarbonylContact O-C 3.58Å; S254-E257 PolarHBondContact O-N 3.49Å; S254-E257 VanDerWaalsContact O-N 3.08Å; E257-G259 VanDerWaalsContact C-N 3.32Å; E257-G259 PolarHBondContact O-N 2.9Å; E257-V260 PolarHBondContact O-N 3.28Å; E257-Q261 WeakPolarHBondContact O-CB 3.46Å; E257-Q261 PolarHBondContact O-N 2.88Å |
| 258 | E | 95.4 | Very high | 96.2 | Very high | 88 Ų | 88 | 98 Ų | 98 | 41% | 0.411 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.3 | -36.8 | 170.2 | -68.5 | 159.7 | -132.8 | 0 | 0 | 113.1 | S254 R262 | S254-E258 VanDerWaalsContact CB-OE1 3.32Å; S254-E258 WeakPolarHBondContact CB-OE1 3.45Å; S254-E258 WeakPolarHBondContact O-CB 3.29Å; S254-E258 WeakPolarHBondContact O-CG 3.43Å; S254-E258 PolarHBondContact O-N 3.44Å; S254-E258 PolarHBondContact OG-OE1 3.32Å; E258-R262 WeakPolarHBondContact O-CB 3.34Å; E258-R262 PolarHBondContact O-N 3.33Å |
| 259 | G | 95.4 | Very high | 96.2 | Very high | 29 Ų | 29 | 98.7 Ų | 98.7 | 30% | 0.299 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68.1 | -44.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L255 K256 E257 A263 | L255-G259 PolarHBondContact O-N 2.99Å; K256-G259 PolarHBondContact O-N 2.78Å; E257-G259 VanDerWaalsContact C-N 3.32Å; E257-G259 PolarHBondContact O-N 2.9Å; G259-A263 WeakPolarHBondContact O-CB 3.28Å; G259-A263 PolarHBondContact O-N 3.38Å; G259-A263 VanDerWaalsContact O-N 3.13Å |
| 260 | V | 96.1 | Very high | 96.3 | Very high | 76 Ų | 76 | 100.5 Ų | 100.5 | 46% | 0.461 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.5 | -39.1 | 173 | 169.8 | 0 | 0 | 0 | 0 | 110.9 | K256 E257 A263 R264 | K256-V260 WeakPolarHBondContact O-CG2 3.42Å; K256-V260 PolarHBondContact O-N 2.92Å; E257-V260 PolarHBondContact O-N 3.28Å; V260-A263 PolarHBondContact O-N 2.9Å; V260-R264 WeakPolarHBondContact O-CG 3.36Å; V260-R264 PolarHBondContact O-N 3.37Å |
| 261 | Q | 96.6 | Very high | 96.3 | Very high | 74 Ų | 74 | 99.3 Ų | 99.3 | 35% | 0.346 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68.9 | -45.7 | -178.8 | -176.7 | 52.5 | 32.5 | 0 | 0 | 111.9 | E257 A263 R264 E265 | E257-Q261 WeakPolarHBondContact O-CB 3.46Å; E257-Q261 PolarHBondContact O-N 2.88Å; Q261-A263 VanDerWaalsContact C-N 3.28Å; Q261-A263 PolarHBondContact O-N 2.88Å; Q261-R264 WeakPolarHBondContact O-CB 3.44Å; Q261-R264 PolarHBondContact O-N 3.47Å; Q261-R264 VanDerWaalsContact O-N 3.15Å; Q261-E265 WeakPolarHBondContact CG-OE1 3.42Å; Q261-E265 PolarHBondContact NE2-OE1 3.4Å; Q261-E265 WeakPolarHBondContact O-CG 3.48Å; Q261-E265 PolarHBondContact O-N 2.86Å |
| 262 | R | 96.2 | Very high | 96.3 | Very high | 149 Ų | 149 | 99.6 Ų | 99.6 | 56% | 0.562 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -62 | -34.2 | 171.7 | -79.1 | -174.3 | -75 | 117.6 | -5.6 | 112.9 | E258 E265 E266 | E258-R262 WeakPolarHBondContact O-CB 3.34Å; E258-R262 PolarHBondContact O-N 3.33Å; R262-E265 PolarHBondContact O-N 3.03Å; R262-E266 WeakPolarHBondContact O-CB 3.41Å; R262-E266 PolarHBondContact O-N 3.39Å |
| 263 | A | 95.9 | Very high | 96.4 | Very high | 58 Ų | 58 | 99.6 Ų | 99.6 | 48% | 0.479 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.4 | -39.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | G259 V260 Q261 E267 | G259-A263 WeakPolarHBondContact O-CB 3.28Å; G259-A263 PolarHBondContact O-N 3.38Å; G259-A263 VanDerWaalsContact O-N 3.13Å; V260-A263 PolarHBondContact O-N 2.9Å; Q261-A263 VanDerWaalsContact C-N 3.28Å; Q261-A263 PolarHBondContact O-N 2.88Å; A263-E267 WeakPolarHBondContact O-CB 3.44Å; A263-E267 PolarHBondContact O-N 3.13Å |
| 264 | R | 96.4 | Very high | 96.4 | Very high | 130 Ų | 130 | 98.4 Ų | 98.4 | 49% | 0.491 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.4 | -47.9 | 172.4 | -68.9 | 170.6 | -177.9 | 153.4 | -2.7 | 111.8 | V260 Q261 E266 E267 E268 | V260-R264 WeakPolarHBondContact O-CG 3.36Å; V260-R264 PolarHBondContact O-N 3.37Å; Q261-R264 WeakPolarHBondContact O-CB 3.44Å; Q261-R264 PolarHBondContact O-N 3.47Å; Q261-R264 VanDerWaalsContact O-N 3.15Å; R264-E266 VanDerWaalsContact C-N 3.27Å; R264-E266 PolarHBondContact O-N 2.95Å; R264-E267 CarbonylContact O-C 3.55Å; R264-E267 WeakPolarHBondContact O-CA 3.23Å; R264-E267 WeakPolarHBondContact O-CB 3.24Å; R264-E267 PolarHBondContact O-N 2.98Å; R264-E268 WeakPolarHBondContact O-CB 3.16Å; R264-E268 WeakPolarHBondContact O-CG 3.26Å; R264-E268 PolarHBondContact O-N 3.02Å |
| 265 | E | 96.1 | Very high | 96.5 | Very high | 70 Ų | 70 | 99.5 Ų | 99.5 | 33% | 0.327 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62 | -33.8 | 179.8 | -70.2 | 163.8 | -164.6 | 0 | 0 | 112.4 | Q261 R262 K269 | Q261-E265 WeakPolarHBondContact CG-OE1 3.42Å; Q261-E265 PolarHBondContact NE2-OE1 3.4Å; Q261-E265 WeakPolarHBondContact O-CG 3.48Å; Q261-E265 PolarHBondContact O-N 2.86Å; R262-E265 PolarHBondContact O-N 3.03Å; E265-K269 WeakPolarHBondContact O-CB 3.18Å; E265-K269 WeakPolarHBondContact O-CD 3.38Å; E265-K269 VanDerWaalsContact O-CG 3.24Å; E265-K269 WeakPolarHBondContact O-CG 3.25Å; E265-K269 PolarHBondContact O-N 2.83Å |
| 266 | E | 95.7 | Very high | 96.6 | Very high | 105 Ų | 105 | 101.2 Ų | 101.2 | 49% | 0.491 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -75.8 | -27 | 173.9 | -153.4 | -163.6 | 125 | 0 | 0 | 112.6 | R262 R264 R270 | R262-E266 WeakPolarHBondContact O-CB 3.41Å; R262-E266 PolarHBondContact O-N 3.39Å; R264-E266 VanDerWaalsContact C-N 3.27Å; R264-E266 PolarHBondContact O-N 2.95Å; E266-R270 WeakPolarHBondContact O-CG 3.44Å; E266-R270 PolarHBondContact O-N 3.13Å; E266-R270 PolarHBondContact O-NH1 2.87Å; E266-R270 IonicContact OE1-CZ 2.61Å; E266-R270 IonicContact OE1-NH1 2.67Å; E266-R270 PolarHBondContact OE1-NH1 2.9Å; E266-R270 IonicContact OE1-NH2 2.68Å; E266-R270 PolarHBondContact OE1-NH2 3.45Å |
| 267 | E | 95.8 | Very high | 96.7 | Very high | 102 Ų | 102 | 101.3 Ų | 101.3 | 48% | 0.477 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -75.9 | -40.8 | 172.4 | -160.9 | -165.2 | 147.1 | 0 | 0 | 111.5 | A263 R264 R270 K271 | A263-E267 WeakPolarHBondContact O-CB 3.44Å; A263-E267 PolarHBondContact O-N 3.13Å; R264-E267 CarbonylContact O-C 3.55Å; R264-E267 WeakPolarHBondContact O-CA 3.23Å; R264-E267 WeakPolarHBondContact O-CB 3.24Å; R264-E267 PolarHBondContact O-N 2.98Å; E267-R270 PolarHBondContact O-N 3.42Å; E267-K271 VanDerWaalsContact CD-NZ 3.3Å; E267-K271 WeakPolarHBondContact O-CG 3.42Å; E267-K271 PolarHBondContact O-N 2.92Å; E267-K271 WeakPolarHBondContact OE1-CE 3.48Å; E267-K271 IonicContact OE1-NZ 3.74Å; E267-K271 PolarHBondContact OE1-NZ 3.2Å |
| 268 | E | 96.5 | Very high | 96.8 | Very high | 98 Ų | 98 | 100.5 Ų | 100.5 | 46% | 0.458 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.9 | -48.7 | 174.8 | -74.8 | 166.4 | 172.3 | 0 | 0 | 110.6 | R264 R270 K271 E272 | R264-E268 WeakPolarHBondContact O-CB 3.16Å; R264-E268 WeakPolarHBondContact O-CG 3.26Å; R264-E268 PolarHBondContact O-N 3.02Å; E268-R270 VanDerWaalsContact C-N 3.27Å; E268-R270 PolarHBondContact O-N 3.15Å; E268-K271 CarbonylContact O-C 3.57Å; E268-K271 WeakPolarHBondContact O-CA 3.44Å; E268-K271 WeakPolarHBondContact O-CB 3.48Å; E268-K271 PolarHBondContact O-N 3.28Å; E268-E272 WeakPolarHBondContact O-CG 3.42Å; E268-E272 PolarHBondContact O-N 3.49Å |
| 269 | K | 97.3 | Very high | 96.9 | Very high | 127 Ų | 127 | 99.7 Ų | 99.7 | 55% | 0.552 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -58.9 | -34.9 | 173.4 | -73.8 | 165 | -174.3 | 165.1 | 0 | 113.3 | E265 V273 | E265-K269 WeakPolarHBondContact O-CB 3.18Å; E265-K269 WeakPolarHBondContact O-CD 3.38Å; E265-K269 VanDerWaalsContact O-CG 3.24Å; E265-K269 WeakPolarHBondContact O-CG 3.25Å; E265-K269 PolarHBondContact O-N 2.83Å; K269-V273 WeakPolarHBondContact O-CB 3.34Å; K269-V273 VanDerWaalsContact O-CG2 3.28Å; K269-V273 WeakPolarHBondContact O-CG2 3.41Å; K269-V273 PolarHBondContact O-N 2.86Å |
| 270 | R | 97.7 | Very high | 97 | Very high | 144 Ų | 144 | 101 Ų | 101 | 54% | 0.543 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.9 | -40 | 171.8 | -82.1 | -170.3 | -174 | 81.4 | 2 | 112.6 | E266 E267 E268 T274 | E266-R270 WeakPolarHBondContact O-CG 3.44Å; E266-R270 PolarHBondContact O-N 3.13Å; E266-R270 PolarHBondContact O-NH1 2.87Å; E266-R270 IonicContact OE1-CZ 2.61Å; E266-R270 IonicContact OE1-NH1 2.67Å; E266-R270 PolarHBondContact OE1-NH1 2.9Å; E266-R270 IonicContact OE1-NH2 2.68Å; E266-R270 PolarHBondContact OE1-NH2 3.45Å; E267-R270 PolarHBondContact O-N 3.42Å; E268-R270 VanDerWaalsContact C-N 3.27Å; E268-R270 PolarHBondContact O-N 3.15Å; R270-T274 VanDerWaalsContact O-CB 3.23Å; R270-T274 WeakPolarHBondContact O-CB 3.31Å; R270-T274 PolarHBondContact O-N 2.94Å; R270-T274 PolarHBondContact O-OG1 3.36Å |
| 271 | K | 97.7 | Very high | 97.1 | Very high | 114 Ų | 114 | 101.3 Ų | 101.3 | 50% | 0.496 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.7 | -44.2 | 175.8 | -70.2 | 163.2 | -174.9 | 163.9 | 0 | 111.3 | E267 E268 T274 S275 | E267-K271 VanDerWaalsContact CD-NZ 3.3Å; E267-K271 WeakPolarHBondContact O-CG 3.42Å; E267-K271 PolarHBondContact O-N 2.92Å; E267-K271 WeakPolarHBondContact OE1-CE 3.48Å; E267-K271 IonicContact OE1-NZ 3.74Å; E267-K271 PolarHBondContact OE1-NZ 3.2Å; E268-K271 CarbonylContact O-C 3.57Å; E268-K271 WeakPolarHBondContact O-CA 3.44Å; E268-K271 WeakPolarHBondContact O-CB 3.48Å; E268-K271 PolarHBondContact O-N 3.28Å; K271-T274 PolarHBondContact O-N 3.34Å; K271-S275 WeakPolarHBondContact O-CB 3.44Å; K271-S275 PolarHBondContact O-N 2.75Å |
| 272 | E | 97.3 | Very high | 97.2 | Very high | 124 Ų | 124 | 101.3 Ų | 101.3 | 58% | 0.579 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -58.1 | -53.2 | 175.1 | -71.1 | 169.9 | 164.5 | 0 | 0 | 111.4 | E268 T274 S275 H276 | E268-E272 WeakPolarHBondContact O-CG 3.42Å; E268-E272 PolarHBondContact O-N 3.49Å; E272-T274 VanDerWaalsContact C-N 3.34Å; E272-T274 PolarHBondContact O-N 2.94Å; E272-S275 WeakPolarHBondContact O-CB 3.26Å; E272-S275 PolarHBondContact O-N 2.97Å; E272-H276 WeakPolarHBondContact O-CB 3.38Å; E272-H276 PolarHBondContact O-N 3.46Å |
| 273 | V | 97.3 | Very high | 97.3 | Very high | 80 Ų | 80 | 97.9 Ų | 97.9 | 49% | 0.485 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.5 | -41.4 | 178.9 | 169.4 | 0 | 0 | 0 | 0 | 111.6 | K269 H276 F277 | K269-V273 WeakPolarHBondContact O-CB 3.34Å; K269-V273 VanDerWaalsContact O-CG2 3.28Å; K269-V273 WeakPolarHBondContact O-CG2 3.41Å; K269-V273 PolarHBondContact O-N 2.86Å; V273-H276 PolarHBondContact O-N 3.42Å; V273-F277 HydrophobicContact CG1-CD2 3.72Å; V273-F277 HydrophobicContact CG1-CE2 3.63Å; V273-F277 VanDerWaalsContact O-CD2 3.23Å; V273-F277 WeakPolarHBondContact O-CD2 3.33Å; V273-F277 PolarHBondContact O-N 3.05Å |
| 274 | T | 97.1 | Very high | 97.4 | Very high | 93 Ų | 93 | 100.2 Ų | 100.2 | 57% | 0.571 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -68.1 | -39.7 | 178 | -59.9 | 0 | 0 | 0 | 0 | 111.6 | R270 K271 E272 F277 Q278 | R270-T274 VanDerWaalsContact O-CB 3.23Å; R270-T274 WeakPolarHBondContact O-CB 3.31Å; R270-T274 PolarHBondContact O-N 2.94Å; R270-T274 PolarHBondContact O-OG1 3.36Å; K271-T274 PolarHBondContact O-N 3.34Å; E272-T274 VanDerWaalsContact C-N 3.34Å; E272-T274 PolarHBondContact O-N 2.94Å; T274-F277 PolarHBondContact O-N 3.45Å; T274-Q278 WeakPolarHBondContact O-CB 3.36Å; T274-Q278 PolarHBondContact O-N 2.93Å |
| 275 | S | 98.1 | Very high | 97.4 | Very high | 72 Ų | 72 | 98.6 Ų | 98.6 | 50% | 0.503 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.6 | -46.8 | 174.2 | -170.8 | 0 | 0 | 0 | 0 | 110.9 | K271 E272 F277 Q278 V279 | K271-S275 WeakPolarHBondContact O-CB 3.44Å; K271-S275 PolarHBondContact O-N 2.75Å; E272-S275 WeakPolarHBondContact O-CB 3.26Å; E272-S275 PolarHBondContact O-N 2.97Å; S275-F277 PolarHBondContact O-N 2.8Å; S275-Q278 PolarHBondContact O-N 3.32Å; S275-Q278 VanDerWaalsContact O-N 3.17Å; S275-V279 WeakPolarHBondContact O-CG2 3.45Å; S275-V279 PolarHBondContact O-N 2.87Å |
| 276 | H | 98.1 | Very high | 97.5 | Very high | 126 Ų | 126 | 99.2 Ų | 99.2 | 58% | 0.583 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.4 | -47.5 | 175.9 | -172.5 | -50.5 | 0 | 0 | 0 | 111.6 | E272 V273 Q278 V279 T280 | E272-H276 WeakPolarHBondContact O-CB 3.38Å; E272-H276 PolarHBondContact O-N 3.46Å; V273-H276 PolarHBondContact O-N 3.42Å; H276-Q278 VanDerWaalsContact C-N 3.29Å; H276-Q278 PolarHBondContact O-N 3.49Å; H276-V279 PolarHBondContact O-N 3.07Å; H276-T280 PolarHBondContact CE1-OG1 3.31Å; H276-T280 VanDerWaalsContact CE1-OG1 3.27Å; H276-T280 PolarHBondContact ND1-OG1 3.05Å; H276-T280 VanDerWaalsContact ND1-OG1 3.12Å; H276-T280 PolarHBondContact O-N 2.92Å; H276-T280 PolarHBondContact O-OG1 3.09Å |
| 277 | F | 98.1 | Very high | 97.6 | Very high | 149 Ų | 149 | 100.4 Ų | 100.4 | 65% | 0.654 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.1 | -39.4 | 176 | -85.7 | -62.5 | 0 | 0 | 0 | 112.3 | V273 T274 S275 L281 | V273-F277 HydrophobicContact CG1-CD2 3.72Å; V273-F277 HydrophobicContact CG1-CE2 3.63Å; V273-F277 VanDerWaalsContact O-CD2 3.23Å; V273-F277 WeakPolarHBondContact O-CD2 3.33Å; V273-F277 PolarHBondContact O-N 3.05Å; T274-F277 PolarHBondContact O-N 3.45Å; S275-F277 PolarHBondContact O-N 2.8Å; F277-L281 WeakPolarHBondContact O-CB 3.45Å; F277-L281 PolarHBondContact O-N 2.69Å |
| 278 | Q | 98.3 | Very high | 97.7 | Very high | 102 Ų | 102 | 101.1 Ų | 101.1 | 48% | 0.477 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.2 | -40.7 | 177.1 | -172.1 | 63 | 70.1 | 0 | 0 | 112.2 | T274 S275 H276 L281 N282 | T274-Q278 WeakPolarHBondContact O-CB 3.36Å; T274-Q278 PolarHBondContact O-N 2.93Å; S275-Q278 PolarHBondContact O-N 3.32Å; S275-Q278 VanDerWaalsContact O-N 3.17Å; H276-Q278 VanDerWaalsContact C-N 3.29Å; H276-Q278 PolarHBondContact O-N 3.49Å; Q278-L281 PolarHBondContact O-N 3.14Å; Q278-N282 PolarHBondContact NE2-OD1 3.01Å; Q278-N282 WeakPolarHBondContact O-CB 3.49Å; Q278-N282 PolarHBondContact O-N 3Å; Q278-N282 PolarHBondContact O-ND2 3.28Å; Q278-N282 PolarHBondContact O-OD1 3.29Å; Q278-N282 VanDerWaalsContact O-OD1 3.12Å |
| 279 | V | 98.2 | Very high | 97.7 | Very high | 72 Ų | 72 | 102.4 Ų | 102.4 | 44% | 0.436 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.3 | -53.3 | 175 | 170.2 | 0 | 0 | 0 | 0 | 110.2 | S275 H276 L281 N282 D283 | S275-V279 WeakPolarHBondContact O-CG2 3.45Å; S275-V279 PolarHBondContact O-N 2.87Å; H276-V279 PolarHBondContact O-N 3.07Å; V279-L281 VanDerWaalsContact C-N 3.26Å; V279-L281 PolarHBondContact O-N 3.4Å; V279-N282 WeakPolarHBondContact O-CB 3.27Å; V279-N282 PolarHBondContact O-N 2.87Å; V279-D283 WeakPolarHBondContact CG1-OD2 3.44Å; V279-D283 VanDerWaalsContact O-CG 3.31Å; V279-D283 PolarHBondContact O-N 3.12Å |
| 280 | T | 97.7 | Very high | 97.7 | Very high | 55 Ų | 55 | 99.7 Ų | 99.7 | 34% | 0.337 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59 | -36.9 | 178.3 | -51.9 | 0 | 0 | 0 | 0 | 112.4 | H276 D283 I284 | H276-T280 PolarHBondContact CE1-OG1 3.31Å; H276-T280 VanDerWaalsContact CE1-OG1 3.27Å; H276-T280 PolarHBondContact ND1-OG1 3.05Å; H276-T280 VanDerWaalsContact ND1-OG1 3.12Å; H276-T280 PolarHBondContact O-N 2.92Å; H276-T280 PolarHBondContact O-OG1 3.09Å; T280-D283 PolarHBondContact O-N 2.92Å; T280-I284 HydrophobicContact CG2-CD1 4.09Å; T280-I284 WeakPolarHBondContact O-CD1 3.45Å; T280-I284 VanDerWaalsContact O-CG1 3.25Å; T280-I284 WeakPolarHBondContact O-CG1 3.35Å; T280-I284 PolarHBondContact O-N 2.83Å |
| 281 | L | 97.9 | Very high | 97.7 | Very high | 84 Ų | 84 | 98 Ų | 98 | 44% | 0.44 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.7 | -40.6 | 175.8 | -175.6 | 147 | 0 | 0 | 0 | 112 | F277 Q278 V279 I284 Q285 | F277-L281 WeakPolarHBondContact O-CB 3.45Å; F277-L281 PolarHBondContact O-N 2.69Å; Q278-L281 PolarHBondContact O-N 3.14Å; V279-L281 VanDerWaalsContact C-N 3.26Å; V279-L281 PolarHBondContact O-N 3.4Å; L281-I284 PolarHBondContact O-N 3.23Å; L281-Q285 HydrophobicContact CD2-CG 4.47Å; L281-Q285 WeakPolarHBondContact O-CG 3.34Å; L281-Q285 PolarHBondContact O-N 2.93Å |
| 282 | N | 98.1 | Very high | 97.7 | Very high | 74 Ų | 74 | 96.7 Ų | 96.7 | 40% | 0.396 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.8 | -39.9 | 173.7 | -64.7 | -7.2 | 0 | 0 | 0 | 111.4 | Q278 V279 Q285 L286 | Q278-N282 PolarHBondContact NE2-OD1 3.01Å; Q278-N282 WeakPolarHBondContact O-CB 3.49Å; Q278-N282 PolarHBondContact O-N 3Å; Q278-N282 PolarHBondContact O-ND2 3.28Å; Q278-N282 PolarHBondContact O-OD1 3.29Å; Q278-N282 VanDerWaalsContact O-OD1 3.12Å; V279-N282 WeakPolarHBondContact O-CB 3.27Å; V279-N282 PolarHBondContact O-N 2.87Å; N282-Q285 WeakPolarHBondContact O-CB 3.26Å; N282-Q285 PolarHBondContact O-N 3.36Å; N282-L286 WeakPolarHBondContact O-CB 3.47Å; N282-L286 PolarHBondContact O-N 3.47Å |
| 283 | D | 98.1 | Very high | 97.7 | Very high | 77 Ų | 77 | 95.7 Ų | 95.7 | 41% | 0.412 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65 | -40.7 | 177.6 | -67.2 | -34.5 | 0 | 0 | 0 | 111.6 | V279 T280 L286 Q287 | V279-D283 WeakPolarHBondContact CG1-OD2 3.44Å; V279-D283 VanDerWaalsContact O-CG 3.31Å; V279-D283 PolarHBondContact O-N 3.12Å; T280-D283 PolarHBondContact O-N 2.92Å; D283-L286 PolarHBondContact O-N 3.01Å; D283-Q287 WeakPolarHBondContact O-CB 3.47Å; D283-Q287 VanDerWaalsContact O-CG 3.31Å; D283-Q287 WeakPolarHBondContact O-CG 3.33Å; D283-Q287 PolarHBondContact O-N 3.41Å |
| 284 | I | 97.8 | Very high | 97.8 | Very high | 107 Ų | 107 | 98.3 Ų | 98.3 | 55% | 0.549 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.2 | -41.9 | 174.1 | -70.4 | 165 | 0 | 0 | 0 | 110.9 | T280 L281 Q287 M288 | T280-I284 HydrophobicContact CG2-CD1 4.09Å; T280-I284 WeakPolarHBondContact O-CD1 3.45Å; T280-I284 VanDerWaalsContact O-CG1 3.25Å; T280-I284 WeakPolarHBondContact O-CG1 3.35Å; T280-I284 PolarHBondContact O-N 2.83Å; L281-I284 PolarHBondContact O-N 3.23Å; I284-Q287 PolarHBondContact O-N 2.7Å; I284-M288 WeakPolarHBondContact O-CB 3.46Å; I284-M288 PolarHBondContact O-N 2.9Å |
| 285 | Q | 97.5 | Very high | 97.8 | Very high | 95 Ų | 95 | 96.5 Ų | 96.5 | 44% | 0.444 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61 | -49.1 | 174 | -74.7 | 175.4 | -11.6 | 0 | 0 | 111.2 | L281 N282 Q287 M288 E289 | L281-Q285 HydrophobicContact CD2-CG 4.47Å; L281-Q285 WeakPolarHBondContact O-CG 3.34Å; L281-Q285 PolarHBondContact O-N 2.93Å; N282-Q285 WeakPolarHBondContact O-CB 3.26Å; N282-Q285 PolarHBondContact O-N 3.36Å; Q285-Q287 VanDerWaalsContact C-N 3.35Å; Q285-Q287 PolarHBondContact O-N 3.21Å; Q285-M288 PolarHBondContact O-N 2.93Å; Q285-M288 VanDerWaalsContact O-N 3.13Å; Q285-E289 WeakPolarHBondContact O-CG 3.43Å; Q285-E289 PolarHBondContact O-N 3.17Å |
| 286 | L | 98.3 | Very high | 97.8 | Very high | 83 Ų | 83 | 96.5 Ų | 96.5 | 44% | 0.435 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.2 | -40.3 | 178.3 | -179.6 | 61.4 | 0 | 0 | 0 | 112.1 | N282 D283 E289 Q290 | N282-L286 WeakPolarHBondContact O-CB 3.47Å; N282-L286 PolarHBondContact O-N 3.47Å; D283-L286 PolarHBondContact O-N 3.01Å; L286-E289 PolarHBondContact O-N 2.87Å; L286-Q290 HydrophobicContact CD1-CG 4.29Å; L286-Q290 WeakPolarHBondContact O-CB 3.41Å; L286-Q290 VanDerWaalsContact O-CG 3.23Å; L286-Q290 WeakPolarHBondContact O-CG 3.44Å; L286-Q290 PolarHBondContact O-N 2.87Å |
| 287 | Q | 97.7 | Very high | 97.8 | Very high | 131 Ų | 131 | 94.9 Ų | 94.9 | 61% | 0.612 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -64 | -41.1 | 174 | -75.5 | -177.8 | 34 | 0 | 0 | 112 | D283 I284 Q285 H291 | D283-Q287 WeakPolarHBondContact O-CB 3.47Å; D283-Q287 VanDerWaalsContact O-CG 3.31Å; D283-Q287 WeakPolarHBondContact O-CG 3.33Å; D283-Q287 PolarHBondContact O-N 3.41Å; I284-Q287 PolarHBondContact O-N 2.7Å; Q285-Q287 VanDerWaalsContact C-N 3.35Å; Q285-Q287 PolarHBondContact O-N 3.21Å; Q287-H291 VanDerWaalsContact O-CB 3.28Å; Q287-H291 WeakPolarHBondContact O-CB 3.42Å; Q287-H291 PolarHBondContact O-N 3.42Å |
| 288 | M | 96.6 | Very high | 97.8 | Very high | 116 Ų | 116 | 92.1 Ų | 92.1 | 57% | 0.571 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -66.4 | -40.7 | 176.2 | -173.8 | 177.5 | 65.5 | 0 | 0 | 111.9 | I284 Q285 H291 N292 | I284-M288 WeakPolarHBondContact O-CB 3.46Å; I284-M288 PolarHBondContact O-N 2.9Å; Q285-M288 PolarHBondContact O-N 2.93Å; Q285-M288 VanDerWaalsContact O-N 3.13Å; M288-H291 PolarHBondContact O-N 2.85Å; M288-N292 WeakPolarHBondContact O-CB 3.46Å; M288-N292 VanDerWaalsContact O-CG 3.27Å; M288-N292 PolarHBondContact O-N 2.95Å; M288-N292 PolarHBondContact O-ND2 2.85Å |
| 289 | E | 97.3 | Very high | 97.8 | Very high | 125 Ų | 125 | 94.8 Ų | 94.8 | 58% | 0.584 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -63.9 | -49.3 | 174.6 | -73.9 | -179.5 | 175.2 | 0 | 0 | 111.6 | Q285 L286 H291 N292 E293 | Q285-E289 WeakPolarHBondContact O-CG 3.43Å; Q285-E289 PolarHBondContact O-N 3.17Å; L286-E289 PolarHBondContact O-N 2.87Å; E289-H291 VanDerWaalsContact C-N 3.3Å; E289-H291 PolarHBondContact O-N 2.66Å; E289-N292 PolarHBondContact O-N 2.91Å; E289-E293 WeakPolarHBondContact O-CB 3.39Å; E289-E293 PolarHBondContact O-N 3.27Å |
| 290 | Q | 97.7 | Very high | 97.8 | Very high | 70 Ų | 70 | 96.4 Ų | 96.4 | 33% | 0.327 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.4 | -37.3 | 174.9 | -69.9 | 177.2 | 19.3 | 0 | 0 | 112.2 | L286 E293 R294 | L286-Q290 HydrophobicContact CD1-CG 4.29Å; L286-Q290 WeakPolarHBondContact O-CB 3.41Å; L286-Q290 VanDerWaalsContact O-CG 3.23Å; L286-Q290 WeakPolarHBondContact O-CG 3.44Å; L286-Q290 PolarHBondContact O-N 2.87Å; Q290-E293 PolarHBondContact O-N 3.2Å; Q290-R294 VanDerWaalsContact CB-NH1 3.33Å; Q290-R294 WeakPolarHBondContact O-CB 3.47Å; Q290-R294 VanDerWaalsContact O-CG 3.25Å; Q290-R294 WeakPolarHBondContact O-CG 3.28Å; Q290-R294 PolarHBondContact O-N 2.89Å |
| 291 | H | 97.8 | Very high | 97.8 | Very high | 108 Ų | 108 | 99.1 Ų | 99.1 | 50% | 0.5 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.3 | -47.2 | 174.3 | 176.3 | -90.6 | 0 | 0 | 0 | 110.9 | Q287 M288 E289 E293 R294 N295 | Q287-H291 VanDerWaalsContact O-CB 3.28Å; Q287-H291 WeakPolarHBondContact O-CB 3.42Å; Q287-H291 PolarHBondContact O-N 3.42Å; M288-H291 PolarHBondContact O-N 2.85Å; E289-H291 VanDerWaalsContact C-N 3.3Å; E289-H291 PolarHBondContact O-N 2.66Å; H291-E293 VanDerWaalsContact C-N 3.32Å; H291-E293 PolarHBondContact O-N 2.91Å; H291-R294 PolarHBondContact O-N 2.87Å; H291-N295 WeakPolarHBondContact O-CB 3.25Å; H291-N295 PolarHBondContact O-N 3.42Å |
| 292 | N | 97.4 | Very high | 97.9 | Very high | 88 Ų | 88 | 100 Ų | 100 | 47% | 0.471 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.2 | -38 | 175.9 | -72.9 | -24.5 | 0 | 0 | 0 | 112 | M288 E289 N295 S296 | M288-N292 WeakPolarHBondContact O-CB 3.46Å; M288-N292 VanDerWaalsContact O-CG 3.27Å; M288-N292 PolarHBondContact O-N 2.95Å; M288-N292 PolarHBondContact O-ND2 2.85Å; E289-N292 PolarHBondContact O-N 2.91Å; N292-N295 PolarHBondContact O-N 2.94Å; N292-S296 VanDerWaalsContact O-CB 3.31Å; N292-S296 WeakPolarHBondContact O-CB 3.49Å; N292-S296 PolarHBondContact O-N 2.94Å |
| 293 | E | 97.9 | Very high | 97.9 | Very high | 102 Ų | 102 | 102.1 Ų | 102.1 | 48% | 0.477 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.4 | -48.2 | 176.7 | -158.9 | -148.5 | -172.9 | 0 | 0 | 111.7 | E289 Q290 H291 N295 S296 K297 | E289-E293 WeakPolarHBondContact O-CB 3.39Å; E289-E293 PolarHBondContact O-N 3.27Å; Q290-E293 PolarHBondContact O-N 3.2Å; H291-E293 VanDerWaalsContact C-N 3.32Å; H291-E293 PolarHBondContact O-N 2.91Å; E293-N295 VanDerWaalsContact C-N 3.32Å; E293-N295 PolarHBondContact O-N 3.47Å; E293-S296 WeakPolarHBondContact O-CB 3.37Å; E293-S296 PolarHBondContact O-N 3.21Å; E293-K297 VanDerWaalsContact CD-CE 3.47Å; E293-K297 WeakPolarHBondContact O-CG 3.47Å; E293-K297 PolarHBondContact O-N 2.95Å; E293-K297 WeakPolarHBondContact OE1-CE 3.27Å; E293-K297 IonicContact OE1-NZ 2.71Å; E293-K297 PolarHBondContact OE1-NZ 2.84Å; E293-K297 IonicContact OE2-NZ 3.54Å; E293-K297 PolarHBondContact OE2-NZ 3.43Å |
| 294 | R | 97.7 | Very high | 97.9 | Very high | 135 Ų | 135 | 101.6 Ų | 101.6 | 51% | 0.509 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -57.4 | -44.8 | 172.3 | -70.4 | 174 | -166.5 | 109.4 | 4.7 | 111.3 | Q290 H291 S296 K297 L298 | Q290-R294 VanDerWaalsContact CB-NH1 3.33Å; Q290-R294 WeakPolarHBondContact O-CB 3.47Å; Q290-R294 VanDerWaalsContact O-CG 3.25Å; Q290-R294 WeakPolarHBondContact O-CG 3.28Å; Q290-R294 PolarHBondContact O-N 2.89Å; H291-R294 PolarHBondContact O-N 2.87Å; R294-S296 VanDerWaalsContact C-N 3.28Å; R294-S296 PolarHBondContact O-N 3.49Å; R294-K297 PolarHBondContact O-N 3.2Å; R294-L298 WeakPolarHBondContact O-CB 3.5Å; R294-L298 WeakPolarHBondContact O-CG 3.46Å; R294-L298 PolarHBondContact O-N 2.97Å |
| 295 | N | 98.1 | Very high | 97.9 | Very high | 55 Ų | 55 | 100.8 Ų | 100.8 | 29% | 0.294 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69 | -25.9 | 179.9 | -166.9 | -110.3 | 0 | 0 | 0 | 112.4 | H291 N292 E293 R299 | H291-N295 WeakPolarHBondContact O-CB 3.25Å; H291-N295 PolarHBondContact O-N 3.42Å; N292-N295 PolarHBondContact O-N 2.94Å; E293-N295 VanDerWaalsContact C-N 3.32Å; E293-N295 PolarHBondContact O-N 3.47Å; N295-R299 PolarHBondContact O-N 3.09Å; N295-R299 PolarHBondContact O-NH1 3.03Å; N295-R299 PolarHBondContact OD1-NH1 3.45Å; N295-R299 PolarHBondContact OD1-NH2 3.49Å |
| 296 | S | 98.1 | Very high | 97.9 | Very high | 73 Ų | 73 | 99 Ų | 99 | 51% | 0.51 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -76 | -47.3 | 171.2 | -163.7 | 0 | 0 | 0 | 0 | 111.6 | N292 E293 R294 L298 R299 Q300 | N292-S296 VanDerWaalsContact O-CB 3.31Å; N292-S296 WeakPolarHBondContact O-CB 3.49Å; N292-S296 PolarHBondContact O-N 2.94Å; E293-S296 WeakPolarHBondContact O-CB 3.37Å; E293-S296 PolarHBondContact O-N 3.21Å; R294-S296 VanDerWaalsContact C-N 3.28Å; R294-S296 PolarHBondContact O-N 3.49Å; S296-L298 VanDerWaalsContact C-N 3.34Å; S296-L298 PolarHBondContact O-N 3.28Å; S296-R299 WeakPolarHBondContact O-CA 3.25Å; S296-R299 WeakPolarHBondContact O-CB 3.49Å; S296-R299 PolarHBondContact O-N 3.11Å; S296-Q300 PolarHBondContact O-N 3.14Å |
| 297 | K | 98.3 | Very high | 98 | Very high | 92 Ų | 92 | 99.6 Ų | 99.6 | 40% | 0.4 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -55 | -47.2 | 174.1 | -72.5 | 168.5 | -179 | 167.3 | 0 | 111.6 | E293 R294 R299 Q300 E301 | E293-K297 VanDerWaalsContact CD-CE 3.47Å; E293-K297 WeakPolarHBondContact O-CG 3.47Å; E293-K297 PolarHBondContact O-N 2.95Å; E293-K297 WeakPolarHBondContact OE1-CE 3.27Å; E293-K297 IonicContact OE1-NZ 2.71Å; E293-K297 PolarHBondContact OE1-NZ 2.84Å; E293-K297 IonicContact OE2-NZ 3.54Å; E293-K297 PolarHBondContact OE2-NZ 3.43Å; R294-K297 PolarHBondContact O-N 3.2Å; K297-R299 VanDerWaalsContact C-N 3.3Å; K297-R299 PolarHBondContact O-N 2.88Å; K297-Q300 WeakPolarHBondContact O-CB 3.47Å; K297-Q300 PolarHBondContact O-N 3.34Å; K297-E301 WeakPolarHBondContact O-CG 3.38Å; K297-E301 PolarHBondContact O-N 3.06Å |
| 298 | L | 98.3 | Very high | 98 | Very high | 90 Ų | 90 | 100.7 Ų | 100.7 | 47% | 0.471 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.5 | -34.6 | 174.7 | -73.7 | 169.7 | 0 | 0 | 0 | 113.3 | R294 S296 N302 | R294-L298 WeakPolarHBondContact O-CB 3.5Å; R294-L298 WeakPolarHBondContact O-CG 3.46Å; R294-L298 PolarHBondContact O-N 2.97Å; S296-L298 VanDerWaalsContact C-N 3.34Å; S296-L298 PolarHBondContact O-N 3.28Å; L298-N302 WeakPolarHBondContact O-CB 3.34Å; L298-N302 PolarHBondContact O-N 3.16Å; L298-N302 VanDerWaalsContact O-N 3.1Å; L298-N302 PolarHBondContact O-ND2 2.84Å |
| 299 | R | 97.9 | Very high | 98.1 | Very high | 158 Ų | 158 | 99.7 Ų | 99.7 | 60% | 0.596 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -69.8 | -40.9 | 172.8 | -75.4 | -171.7 | -166.4 | 79.4 | 2.8 | 112 | N295 S296 K297 N302 M303 | N295-R299 PolarHBondContact O-N 3.09Å; N295-R299 PolarHBondContact O-NH1 3.03Å; N295-R299 PolarHBondContact OD1-NH1 3.45Å; N295-R299 PolarHBondContact OD1-NH2 3.49Å; S296-R299 WeakPolarHBondContact O-CA 3.25Å; S296-R299 WeakPolarHBondContact O-CB 3.49Å; S296-R299 PolarHBondContact O-N 3.11Å; K297-R299 VanDerWaalsContact C-N 3.3Å; K297-R299 PolarHBondContact O-N 2.88Å; R299-N302 PolarHBondContact O-N 3.04Å; R299-M303 WeakPolarHBondContact O-CB 3.15Å; R299-M303 PolarHBondContact O-N 3.1Å |
| 300 | Q | 98.3 | Very high | 98.1 | Very high | 107 Ų | 107 | 99.6 Ų | 99.6 | 50% | 0.5 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62 | -48.2 | 175.3 | -178 | -176.7 | -30.2 | 0 | 0 | 111 | S296 K297 N302 M303 E304 | S296-Q300 PolarHBondContact O-N 3.14Å; K297-Q300 WeakPolarHBondContact O-CB 3.47Å; K297-Q300 PolarHBondContact O-N 3.34Å; Q300-N302 VanDerWaalsContact C-N 3.33Å; Q300-N302 PolarHBondContact O-N 3.38Å; Q300-M303 WeakPolarHBondContact O-CB 3.32Å; Q300-M303 PolarHBondContact O-N 3.07Å; Q300-M303 VanDerWaalsContact O-N 3.07Å; Q300-E304 HydrophobicContact CG-CG 4.44Å; Q300-E304 PolarHBondContact NE2-OE1 3.24Å; Q300-E304 PolarHBondContact O-N 3.23Å |
| 301 | E | 97.8 | Very high | 98.2 | Very high | 112 Ų | 112 | 101.1 Ų | 101.1 | 52% | 0.523 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.1 | -41.1 | 178.8 | -72.1 | 166 | -161.5 | 0 | 0 | 112.1 | K297 E304 L305 | K297-E301 WeakPolarHBondContact O-CG 3.38Å; K297-E301 PolarHBondContact O-N 3.06Å; E301-E304 PolarHBondContact O-N 2.6Å; E301-L305 VanDerWaalsContact O-CB 3.3Å; E301-L305 WeakPolarHBondContact O-CB 3.25Å; E301-L305 PolarHBondContact O-N 2.88Å |
| 302 | N | 98.3 | Very high | 98.2 | Very high | 103 Ų | 103 | 99.9 Ų | 99.9 | 55% | 0.551 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.9 | -38.4 | 173.1 | -85.6 | -83.2 | 0 | 0 | 0 | 112.6 | L298 R299 Q300 L305 A306 | L298-N302 WeakPolarHBondContact O-CB 3.34Å; L298-N302 PolarHBondContact O-N 3.16Å; L298-N302 VanDerWaalsContact O-N 3.1Å; L298-N302 PolarHBondContact O-ND2 2.84Å; R299-N302 PolarHBondContact O-N 3.04Å; Q300-N302 VanDerWaalsContact C-N 3.33Å; Q300-N302 PolarHBondContact O-N 3.38Å; N302-L305 PolarHBondContact O-N 2.84Å; N302-A306 WeakPolarHBondContact O-CB 3.18Å; N302-A306 PolarHBondContact O-N 2.81Å |
| 303 | M | 98.2 | Very high | 98.3 | Very high | 118 Ų | 118 | 100.3 Ų | 100.3 | 58% | 0.581 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -67.6 | -42.9 | 176 | -173.5 | 174 | 69.8 | 0 | 0 | 111.7 | R299 Q300 A306 E307 | R299-M303 WeakPolarHBondContact O-CB 3.15Å; R299-M303 PolarHBondContact O-N 3.1Å; Q300-M303 WeakPolarHBondContact O-CB 3.32Å; Q300-M303 PolarHBondContact O-N 3.07Å; Q300-M303 VanDerWaalsContact O-N 3.07Å; M303-A306 PolarHBondContact O-N 2.56Å; M303-E307 PolarHBondContact O-N 3.1Å |
| 304 | E | 98.3 | Very high | 98.3 | Very high | 66 Ų | 66 | 99.6 Ų | 99.6 | 31% | 0.308 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.8 | -39.2 | 173.7 | -73.6 | -172.7 | -142.1 | 0 | 0 | 112.1 | Q300 E301 E307 R308 | Q300-E304 HydrophobicContact CG-CG 4.44Å; Q300-E304 PolarHBondContact NE2-OE1 3.24Å; Q300-E304 PolarHBondContact O-N 3.23Å; E301-E304 PolarHBondContact O-N 2.6Å; E304-E307 PolarHBondContact O-N 2.94Å; E304-R308 WeakPolarHBondContact O-CB 3.43Å; E304-R308 WeakPolarHBondContact O-CD 3.48Å; E304-R308 WeakPolarHBondContact O-CG 3.44Å; E304-R308 PolarHBondContact O-N 3.18Å; E304-R308 IonicContact OE2-CZ 3.13Å; E304-R308 IonicContact OE2-NH2 2.63Å; E304-R308 PolarHBondContact OE2-NH2 3.2Å |
| 305 | L | 98.5 | Very high | 98.3 | Very high | 90 Ų | 90 | 99.4 Ų | 99.4 | 47% | 0.471 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.6 | -42.7 | 175.1 | -177.1 | 59.9 | 0 | 0 | 0 | 111.4 | E301 N302 E307 R308 L309 | E301-L305 VanDerWaalsContact O-CB 3.3Å; E301-L305 WeakPolarHBondContact O-CB 3.25Å; E301-L305 PolarHBondContact O-N 2.88Å; N302-L305 PolarHBondContact O-N 2.84Å; L305-E307 VanDerWaalsContact C-N 3.35Å; L305-E307 PolarHBondContact O-N 3.28Å; L305-R308 PolarHBondContact O-N 3.27Å; L305-L309 HydrophobicContact CG-CD1 4.32Å; L305-L309 WeakPolarHBondContact O-CB 3.44Å; L305-L309 WeakPolarHBondContact O-CG 3.49Å; L305-L309 PolarHBondContact O-N 2.93Å |
| 306 | A | 98.4 | Very high | 98.3 | Very high | 57 Ų | 57 | 104 Ų | 104 | 47% | 0.471 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.9 | -40.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N302 M303 K310 | N302-A306 WeakPolarHBondContact O-CB 3.18Å; N302-A306 PolarHBondContact O-N 2.81Å; M303-A306 PolarHBondContact O-N 2.56Å; A306-K310 WeakPolarHBondContact O-CB 3.5Å; A306-K310 PolarHBondContact O-N 3.02Å |
| 307 | E | 98.5 | Very high | 98.3 | Very high | 96 Ų | 96 | 105.8 Ų | 105.8 | 45% | 0.449 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64 | -40.9 | 172.1 | -85.5 | -161.7 | -155.1 | 0 | 0 | 113.1 | M303 E304 L305 K310 K311 | M303-E307 PolarHBondContact O-N 3.1Å; E304-E307 PolarHBondContact O-N 2.94Å; L305-E307 VanDerWaalsContact C-N 3.35Å; L305-E307 PolarHBondContact O-N 3.28Å; E307-K310 PolarHBondContact O-N 3.48Å; E307-K311 WeakPolarHBondContact O-CB 2.8Å; E307-K311 WeakPolarHBondContact O-CD 3.47Å; E307-K311 VanDerWaalsContact O-CG 3.23Å; E307-K311 WeakPolarHBondContact O-CG 3.31Å; E307-K311 PolarHBondContact O-N 3.09Å; E307-K311 WeakPolarHBondContact OE2-CE 3.4Å; E307-K311 IonicContact OE2-NZ 3.15Å; E307-K311 PolarHBondContact OE2-NZ 2.95Å |
| 308 | R | 98.4 | Very high | 98.4 | Very high | 153 Ų | 153 | 106.9 Ų | 106.9 | 58% | 0.577 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.5 | -42.5 | 177.6 | -69.8 | 164.5 | -158.8 | -174.2 | 7.7 | 111 | E304 L305 K311 L312 | E304-R308 WeakPolarHBondContact O-CB 3.43Å; E304-R308 WeakPolarHBondContact O-CD 3.48Å; E304-R308 WeakPolarHBondContact O-CG 3.44Å; E304-R308 PolarHBondContact O-N 3.18Å; E304-R308 IonicContact OE2-CZ 3.13Å; E304-R308 IonicContact OE2-NH2 2.63Å; E304-R308 PolarHBondContact OE2-NH2 3.2Å; L305-R308 PolarHBondContact O-N 3.27Å; R308-K311 PolarHBondContact O-N 2.88Å; R308-L312 WeakPolarHBondContact O-CB 3.29Å; R308-L312 PolarHBondContact O-N 3.13Å |
| 309 | L | 98.4 | Very high | 98.4 | Very high | 95 Ų | 95 | 110.5 Ų | 110.5 | 50% | 0.497 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 173.6 | -72.8 | 170 | 0 | 0 | 0 | 111.8 | L305 L312 I313 | L305-L309 HydrophobicContact CG-CD1 4.32Å; L305-L309 WeakPolarHBondContact O-CB 3.44Å; L305-L309 WeakPolarHBondContact O-CG 3.49Å; L305-L309 PolarHBondContact O-N 2.93Å; L309-L312 WeakPolarHBondContact O-CB 3.28Å; L309-L312 PolarHBondContact O-N 2.62Å; L309-I313 WeakPolarHBondContact O-CG1 3.49Å; L309-I313 PolarHBondContact O-N 3.26Å |
| 310 | K | 98.6 | Very high | 98.4 | Very high | 124 Ų | 124 | 109.8 Ų | 109.8 | 54% | 0.539 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.3 | -49.5 | 175.3 | 176.9 | 176.7 | 165.9 | 178.2 | 0 | 111.8 | A306 E307 L312 I313 E314 | A306-K310 WeakPolarHBondContact O-CB 3.5Å; A306-K310 PolarHBondContact O-N 3.02Å; E307-K310 PolarHBondContact O-N 3.48Å; K310-L312 PolarHBondContact O-N 3.05Å; K310-I313 WeakPolarHBondContact O-CB 3.48Å; K310-I313 PolarHBondContact O-N 2.69Å; K310-I313 VanDerWaalsContact O-N 3.12Å; K310-E314 WeakPolarHBondContact CE-OE1 3.39Å; K310-E314 HydrophobicContact CG-CG 4.44Å; K310-E314 IonicContact NZ-OE1 3.14Å; K310-E314 WeakPolarHBondContact O-CG 3.41Å; K310-E314 PolarHBondContact O-N 2.83Å |
| 311 | K | 98.5 | Very high | 98.4 | Very high | 101 Ų | 101 | 109.7 Ų | 109.7 | 44% | 0.439 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.3 | -31.3 | 178.4 | -70.5 | 162 | -167.4 | 166.6 | 0 | 112.3 | E307 R308 Q315 | E307-K311 WeakPolarHBondContact O-CB 2.8Å; E307-K311 WeakPolarHBondContact O-CD 3.47Å; E307-K311 VanDerWaalsContact O-CG 3.23Å; E307-K311 WeakPolarHBondContact O-CG 3.31Å; E307-K311 PolarHBondContact O-N 3.09Å; E307-K311 WeakPolarHBondContact OE2-CE 3.4Å; E307-K311 IonicContact OE2-NZ 3.15Å; E307-K311 PolarHBondContact OE2-NZ 2.95Å; R308-K311 PolarHBondContact O-N 2.88Å; K311-Q315 VanDerWaalsContact O-CG 3.29Å; K311-Q315 WeakPolarHBondContact O-CG 3.23Å; K311-Q315 PolarHBondContact O-N 3.38Å; K311-Q315 VanDerWaalsContact O-N 3.13Å |
| 312 | L | 98.4 | Very high | 98.4 | Very high | 83 Ų | 83 | 110.1 Ų | 110.1 | 44% | 0.435 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.4 | -43.2 | 173.6 | -175 | 63.3 | 0 | 0 | 0 | 111.6 | R308 L309 K310 Q315 Y316 | R308-L312 WeakPolarHBondContact O-CB 3.29Å; R308-L312 PolarHBondContact O-N 3.13Å; L309-L312 WeakPolarHBondContact O-CB 3.28Å; L309-L312 PolarHBondContact O-N 2.62Å; K310-L312 PolarHBondContact O-N 3.05Å; L312-Q315 PolarHBondContact O-N 2.9Å; L312-Y316 HydrophobicContact CD1-CD2 4.14Å; L312-Y316 HydrophobicContact CD1-CE2 3.75Å; L312-Y316 HydrophobicContact CD2-CE2 4.44Å; L312-Y316 HydrophobicContact CG-CD2 4.04Å; L312-Y316 HydrophobicContact CG-CE2 3.88Å; L312-Y316 VanDerWaalsContact O-CD2 3.28Å; L312-Y316 WeakPolarHBondContact O-CD2 3.46Å; L312-Y316 PolarHBondContact O-N 3.04Å |
| 313 | I | 98.4 | Very high | 98.4 | Very high | 96 Ų | 96 | 108.7 Ų | 108.7 | 49% | 0.492 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.7 | -49.7 | 174.6 | -67.2 | 163.1 | 0 | 0 | 0 | 110.3 | L309 K310 Q315 Y316 E317 | L309-I313 WeakPolarHBondContact O-CG1 3.49Å; L309-I313 PolarHBondContact O-N 3.26Å; K310-I313 WeakPolarHBondContact O-CB 3.48Å; K310-I313 PolarHBondContact O-N 2.69Å; K310-I313 VanDerWaalsContact O-N 3.12Å; I313-Q315 PolarHBondContact O-N 3.46Å; I313-Y316 WeakPolarHBondContact O-CA 3.38Å; I313-Y316 PolarHBondContact O-N 2.92Å; I313-E317 HydrophobicContact CG2-CG 4.26Å; I313-E317 WeakPolarHBondContact O-CG 3.17Å; I313-E317 PolarHBondContact O-N 3.42Å |
| 314 | E | 98.5 | Very high | 98.4 | Very high | 88 Ų | 88 | 106.8 Ų | 106.8 | 41% | 0.411 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -57 | -34.1 | 177.1 | -69.3 | 170.5 | 156.3 | 0 | 0 | 112.2 | K310 L318 | K310-E314 WeakPolarHBondContact CE-OE1 3.39Å; K310-E314 HydrophobicContact CG-CG 4.44Å; K310-E314 IonicContact NZ-OE1 3.14Å; K310-E314 WeakPolarHBondContact O-CG 3.41Å; K310-E314 PolarHBondContact O-N 2.83Å; E314-L318 WeakPolarHBondContact O-CB 3.45Å; E314-L318 PolarHBondContact O-N 2.9Å; E314-L318 VanDerWaalsContact O-N 3.09Å |
| 315 | Q | 98.3 | Very high | 98.4 | Very high | 131 Ų | 131 | 109 Ų | 109 | 61% | 0.612 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -72.3 | -35.6 | 173.2 | -76.8 | 177.8 | 12 | 0 | 0 | 113.6 | K311 L312 I313 R319 | K311-Q315 VanDerWaalsContact O-CG 3.29Å; K311-Q315 WeakPolarHBondContact O-CG 3.23Å; K311-Q315 PolarHBondContact O-N 3.38Å; K311-Q315 VanDerWaalsContact O-N 3.13Å; L312-Q315 PolarHBondContact O-N 2.9Å; I313-Q315 PolarHBondContact O-N 3.46Å; Q315-R319 VanDerWaalsContact O-CB 3.27Å; Q315-R319 WeakPolarHBondContact O-CB 3.27Å; Q315-R319 PolarHBondContact O-N 3.22Å |
| 316 | Y | 98.6 | Very high | 98.4 | Very high | 150 Ų | 150 | 108 Ų | 108 | 59% | 0.588 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -69.5 | -43.8 | 174.1 | -86.5 | -72.6 | 0 | 0 | 0 | 111.6 | L312 I313 L318 R319 E320 | L312-Y316 HydrophobicContact CD1-CD2 4.14Å; L312-Y316 HydrophobicContact CD1-CE2 3.75Å; L312-Y316 HydrophobicContact CD2-CE2 4.44Å; L312-Y316 HydrophobicContact CG-CD2 4.04Å; L312-Y316 HydrophobicContact CG-CE2 3.88Å; L312-Y316 VanDerWaalsContact O-CD2 3.28Å; L312-Y316 WeakPolarHBondContact O-CD2 3.46Å; L312-Y316 PolarHBondContact O-N 3.04Å; I313-Y316 WeakPolarHBondContact O-CA 3.38Å; I313-Y316 PolarHBondContact O-N 2.92Å; Y316-L318 PolarHBondContact O-N 2.89Å; Y316-R319 WeakPolarHBondContact O-CB 3.48Å; Y316-R319 PolarHBondContact O-N 2.98Å; Y316-R319 VanDerWaalsContact O-N 3.16Å; Y316-E320 WeakPolarHBondContact O-CB 3.5Å; Y316-E320 PolarHBondContact O-N 3.25Å |
| 317 | E | 98.4 | Very high | 98.4 | Very high | 111 Ų | 111 | 111.4 Ų | 111.4 | 52% | 0.519 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.1 | -47.6 | 174.8 | -68.8 | 172.4 | 160.6 | 0 | 0 | 111.1 | I313 R319 E320 E321 | I313-E317 HydrophobicContact CG2-CG 4.26Å; I313-E317 WeakPolarHBondContact O-CG 3.17Å; I313-E317 PolarHBondContact O-N 3.42Å; E317-R319 VanDerWaalsContact C-N 3.31Å; E317-R319 PolarHBondContact O-N 3.12Å; E317-E320 PolarHBondContact O-N 3.3Å; E317-E321 WeakPolarHBondContact O-CB 3.35Å; E317-E321 PolarHBondContact O-N 3.21Å |
| 318 | L | 98.6 | Very high | 98.4 | Very high | 115 Ų | 115 | 112.2 Ų | 112.2 | 60% | 0.602 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.3 | -33.7 | 176.7 | -176.5 | 63 | 0 | 0 | 0 | 112.9 | E314 Y316 H322 | E314-L318 WeakPolarHBondContact O-CB 3.45Å; E314-L318 PolarHBondContact O-N 2.9Å; E314-L318 VanDerWaalsContact O-N 3.09Å; Y316-L318 PolarHBondContact O-N 2.89Å; L318-H322 PolarHBondContact O-N 2.99Å; L318-H322 VanDerWaalsContact O-N 3.1Å |
| 319 | R | 98.3 | Very high | 98.4 | Very high | 167 Ų | 167 | 110.7 Ų | 110.7 | 63% | 0.63 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -71.2 | -41.3 | 175.1 | -179.7 | -178.7 | 178 | 125.7 | 2 | 111.6 | Q315 Y316 E317 H322 I323 | Q315-R319 VanDerWaalsContact O-CB 3.27Å; Q315-R319 WeakPolarHBondContact O-CB 3.27Å; Q315-R319 PolarHBondContact O-N 3.22Å; Y316-R319 WeakPolarHBondContact O-CB 3.48Å; Y316-R319 PolarHBondContact O-N 2.98Å; Y316-R319 VanDerWaalsContact O-N 3.16Å; E317-R319 VanDerWaalsContact C-N 3.31Å; E317-R319 PolarHBondContact O-N 3.12Å; R319-H322 PolarHBondContact O-N 3.4Å; R319-I323 HydrophobicContact CG-CD1 4.04Å; R319-I323 WeakPolarHBondContact O-CG1 3.38Å; R319-I323 PolarHBondContact O-N 3.21Å |
| 320 | E | 98.2 | Very high | 98.4 | Very high | 142 Ų | 142 | 111.4 Ų | 111.4 | 66% | 0.664 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.9 | -49.2 | 175.3 | -173.3 | 166.1 | -158.4 | 0 | 0 | 110 | Y316 E317 H322 I323 D324 | Y316-E320 WeakPolarHBondContact O-CB 3.5Å; Y316-E320 PolarHBondContact O-N 3.25Å; E317-E320 PolarHBondContact O-N 3.3Å; E320-H322 PolarHBondContact O-N 2.9Å; E320-I323 PolarHBondContact O-N 2.94Å; E320-I323 VanDerWaalsContact O-N 3.1Å; E320-D324 VanDerWaalsContact O-CB 3.25Å; E320-D324 WeakPolarHBondContact O-CB 3.49Å; E320-D324 PolarHBondContact O-N 3.01Å |
| 321 | E | 98.3 | Very high | 98.4 | Very high | 105 Ų | 105 | 109.5 Ų | 109.5 | 49% | 0.491 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -51.6 | -39.9 | 170.8 | -93 | -159.2 | -150.5 | 0 | 0 | 113.2 | E317 K325 | E317-E321 WeakPolarHBondContact O-CB 3.35Å; E317-E321 PolarHBondContact O-N 3.21Å; E321-K325 WeakPolarHBondContact O-CD 3.4Å; E321-K325 WeakPolarHBondContact O-CE 3.3Å; E321-K325 WeakPolarHBondContact O-CG 3.18Å; E321-K325 PolarHBondContact O-N 2.93Å; E321-K325 IonicContact OE2-NZ 2.81Å; E321-K325 PolarHBondContact OE2-NZ 3.35Å |
| 322 | H | 98.3 | Very high | 98.4 | Very high | 121 Ų | 121 | 110 Ų | 110 | 56% | 0.56 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -70.1 | -44.8 | 178.1 | -179.8 | 74.6 | 0 | 0 | 0 | 112.1 | L318 R319 E320 D324 K325 V326 | L318-H322 PolarHBondContact O-N 2.99Å; L318-H322 VanDerWaalsContact O-N 3.1Å; R319-H322 PolarHBondContact O-N 3.4Å; E320-H322 PolarHBondContact O-N 2.9Å; H322-D324 VanDerWaalsContact C-N 3.27Å; H322-D324 PolarHBondContact O-N 2.84Å; H322-K325 PolarHBondContact O-N 2.97Å; H322-V326 WeakPolarHBondContact O-CG2 3.39Å; H322-V326 PolarHBondContact O-N 3.41Å |
| 323 | I | 98.4 | Very high | 98.4 | Very high | 74 Ų | 74 | 110.3 Ų | 110.3 | 38% | 0.379 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.4 | -44 | 174.8 | -71.6 | 165.2 | 0 | 0 | 0 | 110 | R319 E320 K325 V326 F327 | R319-I323 HydrophobicContact CG-CD1 4.04Å; R319-I323 WeakPolarHBondContact O-CG1 3.38Å; R319-I323 PolarHBondContact O-N 3.21Å; E320-I323 PolarHBondContact O-N 2.94Å; E320-I323 VanDerWaalsContact O-N 3.1Å; I323-K325 PolarHBondContact O-N 2.84Å; I323-V326 CarbonylContact O-C 3.58Å; I323-V326 WeakPolarHBondContact O-CA 3.44Å; I323-V326 WeakPolarHBondContact O-CB 3.42Å; I323-V326 PolarHBondContact O-N 3.45Å; I323-V326 VanDerWaalsContact O-N 3.09Å; I323-F327 HydrophobicContact CG2-CD2 3.72Å; I323-F327 HydrophobicContact CG2-CE2 3.79Å; I323-F327 WeakPolarHBondContact O-CD2 3.48Å; I323-F327 PolarHBondContact O-N 3.46Å |
| 324 | D | 98.4 | Very high | 98.4 | Very high | 77 Ų | 77 | 110.6 Ų | 110.6 | 41% | 0.412 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.2 | -37.8 | -179.8 | -156.3 | 41 | 0 | 0 | 0 | 112.1 | E320 H322 K328 | E320-D324 VanDerWaalsContact O-CB 3.25Å; E320-D324 WeakPolarHBondContact O-CB 3.49Å; E320-D324 PolarHBondContact O-N 3.01Å; H322-D324 VanDerWaalsContact C-N 3.27Å; H322-D324 PolarHBondContact O-N 2.84Å; D324-K328 VanDerWaalsContact CG-NZ 3.33Å; D324-K328 WeakPolarHBondContact O-CB 3.4Å; D324-K328 VanDerWaalsContact O-CD 3.31Å; D324-K328 WeakPolarHBondContact O-CD 3.36Å; D324-K328 VanDerWaalsContact O-CG 3.28Å; D324-K328 WeakPolarHBondContact O-CG 3.45Å; D324-K328 PolarHBondContact O-N 3.49Å; D324-K328 IonicContact OD1-NZ 2.81Å; D324-K328 WeakPolarHBondContact OD2-CE 3.49Å; D324-K328 IonicContact OD2-NZ 2.71Å; D324-K328 PolarHBondContact OD2-NZ 3.26Å |
| 325 | K | 98.6 | Very high | 98.4 | Very high | 114 Ų | 114 | 112 Ų | 112 | 50% | 0.496 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.6 | -36.7 | 170.9 | -69.8 | 157.9 | -161.9 | 167.2 | 0 | 112.3 | E321 H322 I323 H329 | E321-K325 WeakPolarHBondContact O-CD 3.4Å; E321-K325 WeakPolarHBondContact O-CE 3.3Å; E321-K325 WeakPolarHBondContact O-CG 3.18Å; E321-K325 PolarHBondContact O-N 2.93Å; E321-K325 IonicContact OE2-NZ 2.81Å; E321-K325 PolarHBondContact OE2-NZ 3.35Å; H322-K325 PolarHBondContact O-N 2.97Å; I323-K325 PolarHBondContact O-N 2.84Å; K325-H329 WeakPolarHBondContact O-CB 3.31Å; K325-H329 PolarHBondContact O-N 2.92Å |
| 326 | V | 98.4 | Very high | 98.4 | Very high | 67 Ų | 67 | 110.3 Ų | 110.3 | 41% | 0.406 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69 | -41.9 | 175.4 | 170.7 | 0 | 0 | 0 | 0 | 111.5 | H322 I323 H329 K330 | H322-V326 WeakPolarHBondContact O-CG2 3.39Å; H322-V326 PolarHBondContact O-N 3.41Å; I323-V326 CarbonylContact O-C 3.58Å; I323-V326 WeakPolarHBondContact O-CA 3.44Å; I323-V326 WeakPolarHBondContact O-CB 3.42Å; I323-V326 PolarHBondContact O-N 3.45Å; I323-V326 VanDerWaalsContact O-N 3.09Å; V326-H329 PolarHBondContact O-N 2.87Å; V326-K330 WeakPolarHBondContact O-CG 3.45Å; V326-K330 PolarHBondContact O-N 2.91Å |
| 327 | F | 98.5 | Very high | 98.4 | Very high | 130 Ų | 130 | 106.7 Ų | 106.7 | 57% | 0.57 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.1 | -52.2 | 173.1 | -94.1 | -78 | 0 | 0 | 0 | 111.2 | I323 H329 K330 D331 | I323-F327 HydrophobicContact CG2-CD2 3.72Å; I323-F327 HydrophobicContact CG2-CE2 3.79Å; I323-F327 WeakPolarHBondContact O-CD2 3.48Å; I323-F327 PolarHBondContact O-N 3.46Å; F327-H329 VanDerWaalsContact C-N 3.26Å; F327-H329 PolarHBondContact O-N 2.82Å; F327-K330 CarbonylContact O-C 3.53Å; F327-K330 WeakPolarHBondContact O-CA 3.18Å; F327-K330 WeakPolarHBondContact O-CB 3.48Å; F327-K330 PolarHBondContact O-N 2.98Å; F327-D331 PolarHBondContact O-N 3.43Å |
| 328 | K | 98.4 | Very high | 98.4 | Very high | 113 Ų | 113 | 104.4 Ų | 104.4 | 49% | 0.491 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.3 | -37 | 177.9 | -70.5 | 160.4 | -170.6 | 169.8 | 0 | 112.5 | D324 L332 | D324-K328 VanDerWaalsContact CG-NZ 3.33Å; D324-K328 WeakPolarHBondContact O-CB 3.4Å; D324-K328 VanDerWaalsContact O-CD 3.31Å; D324-K328 WeakPolarHBondContact O-CD 3.36Å; D324-K328 VanDerWaalsContact O-CG 3.28Å; D324-K328 WeakPolarHBondContact O-CG 3.45Å; D324-K328 PolarHBondContact O-N 3.49Å; D324-K328 IonicContact OD1-NZ 2.81Å; D324-K328 WeakPolarHBondContact OD2-CE 3.49Å; D324-K328 IonicContact OD2-NZ 2.71Å; D324-K328 PolarHBondContact OD2-NZ 3.26Å; K328-L332 WeakPolarHBondContact O-CB 3.43Å; K328-L332 WeakPolarHBondContact O-CD1 3.2Å; K328-L332 VanDerWaalsContact O-CG 3.25Å; K328-L332 WeakPolarHBondContact O-CG 3.38Å; K328-L332 PolarHBondContact O-N 2.88Å; K328-L332 VanDerWaalsContact O-N 3.14Å |
| 329 | H | 98.4 | Very high | 98.4 | Very high | 121 Ų | 121 | 101.5 Ų | 101.5 | 56% | 0.56 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.7 | -38.1 | 172.5 | 178.7 | 66.6 | 0 | 0 | 0 | 112.8 | K325 V326 F327 Q333 | K325-H329 WeakPolarHBondContact O-CB 3.31Å; K325-H329 PolarHBondContact O-N 2.92Å; V326-H329 PolarHBondContact O-N 2.87Å; F327-H329 VanDerWaalsContact C-N 3.26Å; F327-H329 PolarHBondContact O-N 2.82Å; H329-Q333 WeakPolarHBondContact O-CB 3.46Å; H329-Q333 PolarHBondContact O-N 3.07Å |
| 330 | K | 98.4 | Very high | 98.4 | Very high | 109 Ų | 109 | 99.7 Ų | 99.7 | 47% | 0.474 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -70.8 | -40.3 | 177.2 | -73.7 | -73 | 161.5 | -162.5 | 0 | 112.8 | V326 F327 Q333 Q334 | V326-K330 WeakPolarHBondContact O-CG 3.45Å; V326-K330 PolarHBondContact O-N 2.91Å; F327-K330 CarbonylContact O-C 3.53Å; F327-K330 WeakPolarHBondContact O-CA 3.18Å; F327-K330 WeakPolarHBondContact O-CB 3.48Å; F327-K330 PolarHBondContact O-N 2.98Å; K330-Q333 WeakPolarHBondContact O-CB 3.46Å; K330-Q333 PolarHBondContact O-N 2.92Å; K330-Q334 WeakPolarHBondContact O-CB 3.5Å; K330-Q334 PolarHBondContact O-N 2.96Å |
| 331 | D | 98.5 | Very high | 98.4 | Very high | 85 Ų | 85 | 97.2 Ų | 97.2 | 46% | 0.455 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63 | -44.2 | 175.1 | -65.7 | -22.4 | 0 | 0 | 0 | 111.2 | F327 Q333 Q334 Q335 | F327-D331 PolarHBondContact O-N 3.43Å; D331-Q333 VanDerWaalsContact C-N 3.34Å; D331-Q333 PolarHBondContact O-N 3.21Å; D331-Q334 PolarHBondContact O-N 3.33Å; D331-Q335 WeakPolarHBondContact O-CB 3.4Å; D331-Q335 VanDerWaalsContact O-CG 3.25Å; D331-Q335 WeakPolarHBondContact O-CG 3.46Å; D331-Q335 PolarHBondContact O-N 2.72Å |
| 332 | L | 98.5 | Very high | 98.4 | Very high | 111 Ų | 111 | 97.8 Ų | 97.8 | 58% | 0.581 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -65.4 | -35.8 | 174.1 | -70.7 | 171 | 0 | 0 | 0 | 112.3 | K328 L336 | K328-L332 WeakPolarHBondContact O-CB 3.43Å; K328-L332 WeakPolarHBondContact O-CD1 3.2Å; K328-L332 VanDerWaalsContact O-CG 3.25Å; K328-L332 WeakPolarHBondContact O-CG 3.38Å; K328-L332 PolarHBondContact O-N 2.88Å; K328-L332 VanDerWaalsContact O-N 3.14Å; L332-L336 WeakPolarHBondContact O-CB 3.41Å; L332-L336 PolarHBondContact O-N 3.46Å; L332-L336 VanDerWaalsContact O-N 3.11Å |
| 333 | Q | 98.1 | Very high | 98.4 | Very high | 90 Ų | 90 | 97.5 Ų | 97.5 | 42% | 0.421 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.7 | -41.9 | 173.3 | -175.1 | 175.9 | 18.8 | 0 | 0 | 111.3 | H329 K330 D331 L336 V337 | H329-Q333 WeakPolarHBondContact O-CB 3.46Å; H329-Q333 PolarHBondContact O-N 3.07Å; K330-Q333 WeakPolarHBondContact O-CB 3.46Å; K330-Q333 PolarHBondContact O-N 2.92Å; D331-Q333 VanDerWaalsContact C-N 3.34Å; D331-Q333 PolarHBondContact O-N 3.21Å; Q333-L336 PolarHBondContact O-N 3.46Å; Q333-V337 WeakPolarHBondContact O-CG2 3.41Å; Q333-V337 PolarHBondContact O-N 3.05Å |
| 334 | Q | 98.4 | Very high | 98.4 | Very high | 101 Ų | 101 | 96.3 Ų | 96.3 | 47% | 0.472 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.2 | -50.3 | 178.3 | -175.9 | 56.5 | 50 | 0 | 0 | 111.1 | K330 D331 L336 V337 D338 | K330-Q334 WeakPolarHBondContact O-CB 3.5Å; K330-Q334 PolarHBondContact O-N 2.96Å; D331-Q334 PolarHBondContact O-N 3.33Å; Q334-L336 PolarHBondContact O-N 3.1Å; Q334-V337 WeakPolarHBondContact O-CA 3.24Å; Q334-V337 WeakPolarHBondContact O-CB 3.19Å; Q334-V337 PolarHBondContact O-N 3.03Å; Q334-D338 WeakPolarHBondContact CG-OD2 3.31Å; Q334-D338 PolarHBondContact NE2-OD1 2.93Å; Q334-D338 PolarHBondContact NE2-OD2 3.39Å; Q334-D338 PolarHBondContact O-N 3.43Å |
| 335 | Q | 98.5 | Very high | 98.3 | Very high | 118 Ų | 118 | 98 Ų | 98 | 55% | 0.551 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -55.2 | -37.8 | 175.7 | -71.2 | 168 | 31 | 0 | 0 | 112.6 | D331 D338 A339 | D331-Q335 WeakPolarHBondContact O-CB 3.4Å; D331-Q335 VanDerWaalsContact O-CG 3.25Å; D331-Q335 WeakPolarHBondContact O-CG 3.46Å; D331-Q335 PolarHBondContact O-N 2.72Å; Q335-D338 PolarHBondContact O-N 3.17Å; Q335-A339 VanDerWaalsContact O-CB 3.26Å; Q335-A339 WeakPolarHBondContact O-CB 3.3Å; Q335-A339 PolarHBondContact O-N 3.07Å |
| 336 | L | 98.5 | Very high | 98.3 | Very high | 95 Ų | 95 | 98.8 Ų | 98.8 | 50% | 0.497 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -71.1 | -28.8 | 176.3 | -179.8 | 146.5 | 0 | 0 | 0 | 113.2 | L332 Q333 Q334 K340 | L332-L336 WeakPolarHBondContact O-CB 3.41Å; L332-L336 PolarHBondContact O-N 3.46Å; L332-L336 VanDerWaalsContact O-N 3.11Å; Q333-L336 PolarHBondContact O-N 3.46Å; Q334-L336 PolarHBondContact O-N 3.1Å; L336-K340 HydrophobicContact CD2-CD 4.14Å; L336-K340 WeakPolarHBondContact O-CD 3.39Å; L336-K340 VanDerWaalsContact O-CG 3.26Å; L336-K340 WeakPolarHBondContact O-CG 3.23Å; L336-K340 PolarHBondContact O-N 2.68Å |
| 337 | V | 98.2 | Very high | 98.3 | Very high | 75 Ų | 75 | 100.6 Ų | 100.6 | 46% | 0.455 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -74.5 | -45.4 | 171.7 | 170.7 | 0 | 0 | 0 | 0 | 110.3 | Q333 Q334 K340 L341 | Q333-V337 WeakPolarHBondContact O-CG2 3.41Å; Q333-V337 PolarHBondContact O-N 3.05Å; Q334-V337 WeakPolarHBondContact O-CA 3.24Å; Q334-V337 WeakPolarHBondContact O-CB 3.19Å; Q334-V337 PolarHBondContact O-N 3.03Å; V337-K340 PolarHBondContact O-N 2.81Å; V337-L341 PolarHBondContact O-N 2.67Å |
| 338 | D | 98.4 | Very high | 98.2 | Very high | 63 Ų | 63 | 99.2 Ų | 99.2 | 34% | 0.337 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.3 | -42.8 | -179.5 | -64.5 | -34.3 | 0 | 0 | 0 | 111.9 | Q334 Q335 K340 L341 Q342 | Q334-D338 WeakPolarHBondContact CG-OD2 3.31Å; Q334-D338 PolarHBondContact NE2-OD1 2.93Å; Q334-D338 PolarHBondContact NE2-OD2 3.39Å; Q334-D338 PolarHBondContact O-N 3.43Å; Q335-D338 PolarHBondContact O-N 3.17Å; D338-K340 VanDerWaalsContact C-N 3.32Å; D338-K340 PolarHBondContact O-N 2.89Å; D338-L341 PolarHBondContact O-N 3.29Å; D338-Q342 WeakPolarHBondContact O-CB 3.45Å; D338-Q342 WeakPolarHBondContact O-CG 3.39Å; D338-Q342 PolarHBondContact O-N 3.1Å |
| 339 | A | 98.4 | Very high | 98.2 | Very high | 53 Ų | 53 | 99.5 Ų | 99.5 | 44% | 0.438 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.8 | -36.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q335 Q343 | Q335-A339 VanDerWaalsContact O-CB 3.26Å; Q335-A339 WeakPolarHBondContact O-CB 3.3Å; Q335-A339 PolarHBondContact O-N 3.07Å; A339-Q343 WeakPolarHBondContact O-CB 3.35Å; A339-Q343 PolarHBondContact O-N 3.48Å |
| 340 | K | 98.4 | Very high | 98.2 | Very high | 129 Ų | 129 | 98.2 Ų | 98.2 | 56% | 0.561 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -69.9 | -36.4 | 174 | -77.4 | 176.7 | 179.2 | -175.6 | 0 | 112.4 | L336 V337 D338 A344 | L336-K340 HydrophobicContact CD2-CD 4.14Å; L336-K340 WeakPolarHBondContact O-CD 3.39Å; L336-K340 VanDerWaalsContact O-CG 3.26Å; L336-K340 WeakPolarHBondContact O-CG 3.23Å; L336-K340 PolarHBondContact O-N 2.68Å; V337-K340 PolarHBondContact O-N 2.81Å; D338-K340 VanDerWaalsContact C-N 3.32Å; D338-K340 PolarHBondContact O-N 2.89Å; K340-A344 WeakPolarHBondContact O-CB 3.43Å; K340-A344 PolarHBondContact O-N 3.39Å |
| 341 | L | 98.4 | Very high | 98.1 | Very high | 91 Ų | 91 | 95.3 Ų | 95.3 | 48% | 0.476 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.9 | -45.6 | 175 | 178.9 | 60 | 0 | 0 | 0 | 110.9 | V337 D338 A344 Q345 | V337-L341 PolarHBondContact O-N 2.67Å; D338-L341 PolarHBondContact O-N 3.29Å; L341-A344 PolarHBondContact O-N 2.79Å; L341-Q345 HydrophobicContact CD1-CG 4.36Å; L341-Q345 WeakPolarHBondContact O-CB 3.25Å; L341-Q345 VanDerWaalsContact O-CG 3.27Å; L341-Q345 WeakPolarHBondContact O-CG 3.43Å; L341-Q345 PolarHBondContact O-N 3.42Å |
| 342 | Q | 98.1 | Very high | 98.1 | Very high | 116 Ų | 116 | 96.8 Ų | 96.8 | 54% | 0.542 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.7 | -50.1 | 173.9 | -72.7 | 170.4 | -3.3 | 0 | 0 | 111.1 | D338 A344 Q345 E346 | D338-Q342 WeakPolarHBondContact O-CB 3.45Å; D338-Q342 WeakPolarHBondContact O-CG 3.39Å; D338-Q342 PolarHBondContact O-N 3.1Å; Q342-A344 VanDerWaalsContact C-N 3.3Å; Q342-A344 PolarHBondContact O-N 2.98Å; Q342-Q345 PolarHBondContact O-N 3.48Å; Q342-Q345 VanDerWaalsContact O-N 3.12Å; Q342-E346 WeakPolarHBondContact O-CG 3.12Å; Q342-E346 PolarHBondContact O-N 3.34Å |
| 343 | Q | 98.2 | Very high | 98 | Very high | 116 Ų | 116 | 94.7 Ų | 94.7 | 54% | 0.542 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -57 | -41.2 | 176.7 | -171.3 | -176 | 20.9 | 0 | 0 | 112.5 | A339 M347 | A339-Q343 WeakPolarHBondContact O-CB 3.35Å; A339-Q343 PolarHBondContact O-N 3.48Å; Q343-M347 HydrophobicContact CG-CE 4.3Å; Q343-M347 WeakPolarHBondContact O-CG 3.48Å; Q343-M347 PolarHBondContact O-N 3.36Å |
| 344 | A | 97.9 | Very high | 98 | Very high | 49 Ų | 49 | 96.1 Ų | 96.1 | 41% | 0.405 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -68.3 | -39 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | K340 L341 Q342 L348 | K340-A344 WeakPolarHBondContact O-CB 3.43Å; K340-A344 PolarHBondContact O-N 3.39Å; L341-A344 PolarHBondContact O-N 2.79Å; Q342-A344 VanDerWaalsContact C-N 3.3Å; Q342-A344 PolarHBondContact O-N 2.98Å; A344-L348 WeakPolarHBondContact O-CB 3.31Å; A344-L348 PolarHBondContact O-N 3Å |
| 345 | Q | 97.9 | Very high | 98 | Very high | 111 Ų | 111 | 97.2 Ų | 97.2 | 52% | 0.519 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.4 | -40.5 | 175.2 | -73.3 | 170.3 | -12.3 | 0 | 0 | 111.9 | L341 Q342 L348 K349 | L341-Q345 HydrophobicContact CD1-CG 4.36Å; L341-Q345 WeakPolarHBondContact O-CB 3.25Å; L341-Q345 VanDerWaalsContact O-CG 3.27Å; L341-Q345 WeakPolarHBondContact O-CG 3.43Å; L341-Q345 PolarHBondContact O-N 3.42Å; Q342-Q345 PolarHBondContact O-N 3.48Å; Q342-Q345 VanDerWaalsContact O-N 3.12Å; Q345-L348 PolarHBondContact O-N 3.27Å; Q345-K349 WeakPolarHBondContact O-CB 3.44Å; Q345-K349 PolarHBondContact O-N 3.33Å |
| 346 | E | 97.8 | Very high | 98 | Very high | 132 Ų | 132 | 95.1 Ų | 95.1 | 62% | 0.617 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -65 | -48.4 | 175.3 | -72.5 | -179.1 | 155.7 | 0 | 0 | 111.4 | Q342 L348 K349 E350 | Q342-E346 WeakPolarHBondContact O-CG 3.12Å; Q342-E346 PolarHBondContact O-N 3.34Å; E346-L348 VanDerWaalsContact C-N 3.31Å; E346-L348 PolarHBondContact O-N 2.82Å; E346-K349 PolarHBondContact O-N 2.82Å; E346-E350 WeakPolarHBondContact O-CG 3.37Å; E346-E350 PolarHBondContact O-N 3.17Å |
| 347 | M | 97.9 | Very high | 97.9 | Very high | 104 Ų | 104 | 97.4 Ų | 97.4 | 51% | 0.512 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.6 | -39.5 | 175.9 | -73.1 | -172.3 | -59 | 0 | 0 | 112.7 | Q343 A351 | Q343-M347 HydrophobicContact CG-CE 4.3Å; Q343-M347 WeakPolarHBondContact O-CG 3.48Å; Q343-M347 PolarHBondContact O-N 3.36Å; M347-A351 WeakPolarHBondContact O-CB 3.45Å; M347-A351 PolarHBondContact O-N 3.24Å |
| 348 | L | 97.6 | Very high | 97.9 | Very high | 102 Ų | 102 | 99.3 Ų | 99.3 | 53% | 0.534 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.2 | -51.1 | 174.8 | 178.5 | 63.3 | 0 | 0 | 0 | 110.8 | A344 Q345 E346 E350 A351 E352 | A344-L348 WeakPolarHBondContact O-CB 3.31Å; A344-L348 PolarHBondContact O-N 3Å; Q345-L348 PolarHBondContact O-N 3.27Å; E346-L348 VanDerWaalsContact C-N 3.31Å; E346-L348 PolarHBondContact O-N 2.82Å; L348-E350 VanDerWaalsContact C-N 3.35Å; L348-E350 PolarHBondContact O-N 3.42Å; L348-A351 WeakPolarHBondContact O-CB 3.35Å; L348-A351 PolarHBondContact O-N 2.92Å; L348-E352 HydrophobicContact CD1-CG 4.42Å; L348-E352 WeakPolarHBondContact O-CG 3.46Å; L348-E352 PolarHBondContact O-N 3.41Å |
| 349 | K | 98 | Very high | 97.9 | Very high | 118 Ų | 118 | 101.3 Ų | 101.3 | 51% | 0.513 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.9 | -42.2 | 178.9 | -178.8 | 175.5 | -180 | -78.6 | 0 | 112.1 | Q345 E346 A351 E352 E353 | Q345-K349 WeakPolarHBondContact O-CB 3.44Å; Q345-K349 PolarHBondContact O-N 3.33Å; E346-K349 PolarHBondContact O-N 2.82Å; K349-A351 VanDerWaalsContact C-N 3.31Å; K349-A351 PolarHBondContact O-N 2.87Å; K349-E352 PolarHBondContact O-N 2.92Å; K349-E353 IonicContact NZ-OE1 3.2Å; K349-E353 PolarHBondContact NZ-OE1 2.86Å; K349-E353 WeakPolarHBondContact O-CB 3.49Å; K349-E353 VanDerWaalsContact O-CG 3.31Å; K349-E353 WeakPolarHBondContact O-CG 3.35Å; K349-E353 PolarHBondContact O-N 3.4Å |
| 350 | E | 97.8 | Very high | 97.8 | Very high | 95 Ų | 95 | 101.5 Ų | 101.5 | 44% | 0.444 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.9 | -38 | 174.3 | -69.7 | -169 | 155.4 | 0 | 0 | 112.2 | E346 L348 R354 | E346-E350 WeakPolarHBondContact O-CG 3.37Å; E346-E350 PolarHBondContact O-N 3.17Å; L348-E350 VanDerWaalsContact C-N 3.35Å; L348-E350 PolarHBondContact O-N 3.42Å; E350-R354 WeakPolarHBondContact O-CB 3.48Å; E350-R354 VanDerWaalsContact O-CG 3.24Å; E350-R354 WeakPolarHBondContact O-CG 3.28Å; E350-R354 PolarHBondContact O-N 3.42Å; E350-R354 IonicContact OE2-CZ 2.87Å; E350-R354 IonicContact OE2-NH1 2.61Å; E350-R354 PolarHBondContact OE2-NH1 3.36Å; E350-R354 VanDerWaalsContact OE2-NH1 3.14Å; E350-R354 IonicContact OE2-NH2 3.92Å; E350-R354 PolarHBondContact OE2-NH2 2.81Å |
| 351 | A | 97.6 | Very high | 97.8 | Very high | 48 Ų | 48 | 101.4 Ų | 101.4 | 40% | 0.397 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -68.4 | -41.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | M347 L348 K349 R354 H355 | M347-A351 WeakPolarHBondContact O-CB 3.45Å; M347-A351 PolarHBondContact O-N 3.24Å; L348-A351 WeakPolarHBondContact O-CB 3.35Å; L348-A351 PolarHBondContact O-N 2.92Å; K349-A351 VanDerWaalsContact C-N 3.31Å; K349-A351 PolarHBondContact O-N 2.87Å; A351-R354 PolarHBondContact O-N 3.41Å; A351-H355 WeakPolarHBondContact O-CB 3.43Å; A351-H355 PolarHBondContact O-N 2.83Å |
| 352 | E | 96.9 | Very high | 97.8 | Very high | 115 Ų | 115 | 102 Ų | 102 | 54% | 0.537 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.9 | -46.3 | 171.7 | -70.5 | 174.1 | 165.6 | 0 | 0 | 111.3 | L348 K349 H355 Q356 | L348-E352 HydrophobicContact CD1-CG 4.42Å; L348-E352 WeakPolarHBondContact O-CG 3.46Å; L348-E352 PolarHBondContact O-N 3.41Å; K349-E352 PolarHBondContact O-N 2.92Å; E352-H355 PolarHBondContact O-N 3.43Å; E352-Q356 VanDerWaalsContact O-CB 3.28Å; E352-Q356 WeakPolarHBondContact O-CB 3.49Å; E352-Q356 PolarHBondContact O-N 2.85Å |
| 353 | E | 97.8 | Very high | 97.8 | Very high | 68 Ų | 68 | 101.4 Ų | 101.4 | 32% | 0.318 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.5 | -33.6 | 176.5 | -69.5 | -179.4 | -165.1 | 0 | 0 | 113 | K349 R357 | K349-E353 IonicContact NZ-OE1 3.2Å; K349-E353 PolarHBondContact NZ-OE1 2.86Å; K349-E353 WeakPolarHBondContact O-CB 3.49Å; K349-E353 VanDerWaalsContact O-CG 3.31Å; K349-E353 WeakPolarHBondContact O-CG 3.35Å; K349-E353 PolarHBondContact O-N 3.4Å; E353-R357 VanDerWaalsContact C-NH1 3.31Å; E353-R357 WeakPolarHBondContact O-CB 3.47Å; E353-R357 WeakPolarHBondContact O-CD 3.18Å; E353-R357 WeakPolarHBondContact O-CG 3.21Å; E353-R357 PolarHBondContact O-N 2.96Å; E353-R357 PolarHBondContact O-NH1 3.38Å; E353-R357 IonicContact OE2-CZ 2.7Å; E353-R357 IonicContact OE2-NH1 2.72Å; E353-R357 IonicContact OE2-NH2 2.72Å; E353-R357 PolarHBondContact OE2-NH2 3.43Å |
| 354 | R | 97.6 | Very high | 97.8 | Very high | 119 Ų | 119 | 102 Ų | 102 | 45% | 0.449 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.8 | -53.7 | 172.1 | -77.3 | 172.6 | -167.4 | 106.6 | 4.8 | 110.5 | E350 A351 Q356 R357 E358 | E350-R354 WeakPolarHBondContact O-CB 3.48Å; E350-R354 VanDerWaalsContact O-CG 3.24Å; E350-R354 WeakPolarHBondContact O-CG 3.28Å; E350-R354 PolarHBondContact O-N 3.42Å; E350-R354 IonicContact OE2-CZ 2.87Å; E350-R354 IonicContact OE2-NH1 2.61Å; E350-R354 PolarHBondContact OE2-NH1 3.36Å; E350-R354 VanDerWaalsContact OE2-NH1 3.14Å; E350-R354 IonicContact OE2-NH2 3.92Å; E350-R354 PolarHBondContact OE2-NH2 2.81Å; A351-R354 PolarHBondContact O-N 3.41Å; R354-Q356 VanDerWaalsContact C-N 3.3Å; R354-Q356 PolarHBondContact O-N 2.91Å; R354-R357 WeakPolarHBondContact O-CB 3.45Å; R354-R357 PolarHBondContact O-N 2.84Å; R354-R357 VanDerWaalsContact O-N 3.09Å; R354-E358 WeakPolarHBondContact O-CG 3.4Å; R354-E358 PolarHBondContact O-N 2.83Å |
| 355 | H | 98 | Very high | 97.7 | Very high | 124 Ų | 124 | 104.6 Ų | 104.6 | 57% | 0.574 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -59.3 | -40.1 | 178.6 | 176.7 | -154.8 | 0 | 0 | 0 | 111.9 | A351 E352 E358 K359 | A351-H355 WeakPolarHBondContact O-CB 3.43Å; A351-H355 PolarHBondContact O-N 2.83Å; E352-H355 PolarHBondContact O-N 3.43Å; H355-E358 PolarHBondContact O-N 3.2Å; H355-K359 VanDerWaalsContact O-CB 3.23Å; H355-K359 WeakPolarHBondContact O-CB 3.39Å; H355-K359 PolarHBondContact O-N 3.47Å |
| 356 | Q | 97.8 | Very high | 97.7 | Very high | 74 Ų | 74 | 102 Ų | 102 | 35% | 0.346 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.3 | -38.6 | 175.8 | -178.7 | 54.8 | 38.5 | 0 | 0 | 112.1 | E352 R354 D360 | E352-Q356 VanDerWaalsContact O-CB 3.28Å; E352-Q356 WeakPolarHBondContact O-CB 3.49Å; E352-Q356 PolarHBondContact O-N 2.85Å; R354-Q356 VanDerWaalsContact C-N 3.3Å; R354-Q356 PolarHBondContact O-N 2.91Å; Q356-D360 PolarHBondContact NE2-OD1 3.45Å; Q356-D360 PolarHBondContact NE2-OD2 3.44Å; Q356-D360 WeakPolarHBondContact O-CB 3.25Å; Q356-D360 PolarHBondContact O-N 2.73Å |
| 357 | R | 97.8 | Very high | 97.7 | Very high | 143 Ų | 143 | 99.6 Ų | 99.6 | 54% | 0.54 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.8 | -42.7 | 172.2 | -71.3 | 165.7 | -169.3 | 116.1 | 3.5 | 112.3 | E353 R354 D360 F361 | E353-R357 VanDerWaalsContact C-NH1 3.31Å; E353-R357 WeakPolarHBondContact O-CB 3.47Å; E353-R357 WeakPolarHBondContact O-CD 3.18Å; E353-R357 WeakPolarHBondContact O-CG 3.21Å; E353-R357 PolarHBondContact O-N 2.96Å; E353-R357 PolarHBondContact O-NH1 3.38Å; E353-R357 IonicContact OE2-CZ 2.7Å; E353-R357 IonicContact OE2-NH1 2.72Å; E353-R357 IonicContact OE2-NH2 2.72Å; E353-R357 PolarHBondContact OE2-NH2 3.43Å; R354-R357 WeakPolarHBondContact O-CB 3.45Å; R354-R357 PolarHBondContact O-N 2.84Å; R354-R357 VanDerWaalsContact O-N 3.09Å; R357-D360 PolarHBondContact O-N 2.84Å; R357-F361 WeakPolarHBondContact O-CB 3.4Å; R357-F361 PolarHBondContact O-N 3.12Å |
| 358 | E | 97.2 | Very high | 97.7 | Very high | 116 Ų | 116 | 101.1 Ų | 101.1 | 54% | 0.542 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.6 | -46.1 | 177.8 | -72.4 | 165.9 | -163.8 | 0 | 0 | 111.5 | R354 H355 D360 F361 L362 | R354-E358 WeakPolarHBondContact O-CG 3.4Å; R354-E358 PolarHBondContact O-N 2.83Å; H355-E358 PolarHBondContact O-N 3.2Å; E358-D360 PolarHBondContact O-N 3.41Å; E358-F361 WeakPolarHBondContact O-CB 3.46Å; E358-F361 PolarHBondContact O-N 2.85Å; E358-L362 WeakPolarHBondContact O-CG 3.1Å; E358-L362 PolarHBondContact O-N 3.43Å |
| 359 | K | 98.1 | Very high | 97.6 | Very high | 105 Ų | 105 | 99.6 Ų | 99.6 | 46% | 0.457 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -57.5 | -46.7 | 172.6 | 169.9 | -175.2 | 151.4 | -157.6 | 0 | 112 | H355 F361 L362 L363 | H355-K359 VanDerWaalsContact O-CB 3.23Å; H355-K359 WeakPolarHBondContact O-CB 3.39Å; H355-K359 PolarHBondContact O-N 3.47Å; K359-F361 VanDerWaalsContact C-N 3.27Å; K359-F361 PolarHBondContact O-N 3.39Å; K359-L362 PolarHBondContact O-N 2.86Å; K359-L363 VanDerWaalsContact O-CB 3.26Å; K359-L363 WeakPolarHBondContact O-CB 3.44Å; K359-L363 PolarHBondContact O-N 3.43Å |
| 360 | D | 97.3 | Very high | 97.6 | Very high | 57 Ų | 57 | 99.3 Ų | 99.3 | 31% | 0.305 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -72.2 | -20 | 179.1 | -70.8 | -18.1 | 0 | 0 | 0 | 113.2 | Q356 R357 E358 K364 | Q356-D360 PolarHBondContact NE2-OD1 3.45Å; Q356-D360 PolarHBondContact NE2-OD2 3.44Å; Q356-D360 WeakPolarHBondContact O-CB 3.25Å; Q356-D360 PolarHBondContact O-N 2.73Å; R357-D360 PolarHBondContact O-N 2.84Å; E358-D360 PolarHBondContact O-N 3.41Å; D360-K364 WeakPolarHBondContact O-CD 3.33Å; D360-K364 VanDerWaalsContact O-CE 3.26Å; D360-K364 WeakPolarHBondContact O-CE 3.45Å; D360-K364 VanDerWaalsContact O-CG 3.25Å; D360-K364 WeakPolarHBondContact O-CG 3.23Å |
| 361 | F | 97.9 | Very high | 97.6 | Very high | 126 Ų | 126 | 103.8 Ų | 103.8 | 55% | 0.553 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -75.5 | -54.8 | 169.3 | 176.9 | -88.8 | 0 | 0 | 0 | 110.5 | R357 E358 K359 L363 K364 E365 | R357-F361 WeakPolarHBondContact O-CB 3.4Å; R357-F361 PolarHBondContact O-N 3.12Å; E358-F361 WeakPolarHBondContact O-CB 3.46Å; E358-F361 PolarHBondContact O-N 2.85Å; K359-F361 VanDerWaalsContact C-N 3.27Å; K359-F361 PolarHBondContact O-N 3.39Å; F361-L363 VanDerWaalsContact C-N 3.26Å; F361-L363 PolarHBondContact O-N 3.29Å; F361-K364 WeakPolarHBondContact O-CB 3.23Å; F361-K364 PolarHBondContact O-N 2.85Å; F361-E365 WeakPolarHBondContact CE1-OE2 3.47Å; F361-E365 PolarHBondContact O-N 3.13Å |
| 362 | L | 98.1 | Very high | 97.6 | Very high | 103 Ų | 103 | 106.5 Ų | 106.5 | 54% | 0.539 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.9 | -35.5 | 180 | -69.7 | 171.2 | 0 | 0 | 0 | 112.4 | E358 K359 E365 A366 | E358-L362 WeakPolarHBondContact O-CG 3.1Å; E358-L362 PolarHBondContact O-N 3.43Å; K359-L362 PolarHBondContact O-N 2.86Å; L362-E365 PolarHBondContact O-N 2.85Å; L362-A366 VanDerWaalsContact O-CB 3.27Å; L362-A366 WeakPolarHBondContact O-CB 3.43Å; L362-A366 PolarHBondContact O-N 3.3Å |
| 363 | L | 98.1 | Very high | 97.6 | Very high | 104 Ų | 104 | 104.9 Ų | 104.9 | 55% | 0.545 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.7 | -36.8 | 175.2 | -177.2 | 60.3 | 0 | 0 | 0 | 112.4 | K359 F361 V367 | K359-L363 VanDerWaalsContact O-CB 3.26Å; K359-L363 WeakPolarHBondContact O-CB 3.44Å; K359-L363 PolarHBondContact O-N 3.43Å; F361-L363 VanDerWaalsContact C-N 3.26Å; F361-L363 PolarHBondContact O-N 3.29Å; L363-V367 VanDerWaalsContact O-CG2 3.29Å; L363-V367 WeakPolarHBondContact O-CG2 3.35Å; L363-V367 PolarHBondContact O-N 3.03Å; L363-V367 VanDerWaalsContact O-N 3.15Å |
| 364 | K | 97.8 | Very high | 97.5 | Very high | 128 Ų | 128 | 106 Ų | 106 | 56% | 0.557 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -69.8 | -47.2 | 174.7 | -70 | 163.6 | -167.4 | 156.1 | 0 | 110.9 | D360 F361 A366 V367 E368 | D360-K364 WeakPolarHBondContact O-CD 3.33Å; D360-K364 VanDerWaalsContact O-CE 3.26Å; D360-K364 WeakPolarHBondContact O-CE 3.45Å; D360-K364 VanDerWaalsContact O-CG 3.25Å; D360-K364 WeakPolarHBondContact O-CG 3.23Å; F361-K364 WeakPolarHBondContact O-CB 3.23Å; F361-K364 PolarHBondContact O-N 2.85Å; K364-A366 VanDerWaalsContact C-N 3.3Å; K364-A366 PolarHBondContact O-N 3.44Å; K364-V367 PolarHBondContact O-N 2.9Å; K364-V367 VanDerWaalsContact O-N 3.13Å; K364-E368 WeakPolarHBondContact O-CB 3.37Å; K364-E368 WeakPolarHBondContact O-CG 3.24Å; K364-E368 PolarHBondContact O-N 3.05Å |
| 365 | E | 97.6 | Very high | 97.5 | Very high | 104 Ų | 104 | 104 Ų | 104 | 49% | 0.486 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.7 | -41.5 | 177.8 | -174.2 | 172.1 | -152 | 0 | 0 | 111.6 | F361 L362 E368 S369 | F361-E365 WeakPolarHBondContact CE1-OE2 3.47Å; F361-E365 PolarHBondContact O-N 3.13Å; L362-E365 PolarHBondContact O-N 2.85Å; E365-E368 PolarHBondContact O-N 2.99Å; E365-S369 WeakPolarHBondContact O-CB 3.4Å; E365-S369 PolarHBondContact O-N 3.24Å |
| 366 | A | 97.1 | Very high | 97.5 | Very high | 56 Ų | 56 | 102.7 Ų | 102.7 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L362 K364 Q370 | L362-A366 VanDerWaalsContact O-CB 3.27Å; L362-A366 WeakPolarHBondContact O-CB 3.43Å; L362-A366 PolarHBondContact O-N 3.3Å; K364-A366 VanDerWaalsContact C-N 3.3Å; K364-A366 PolarHBondContact O-N 3.44Å; A366-Q370 WeakPolarHBondContact O-CB 3.42Å; A366-Q370 PolarHBondContact O-N 3Å |
| 367 | V | 98 | Very high | 97.5 | Very high | 83 Ų | 83 | 105.8 Ų | 105.8 | 50% | 0.503 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69 | -39.4 | 177.9 | 167.9 | 0 | 0 | 0 | 0 | 112 | L363 K364 R371 | L363-V367 VanDerWaalsContact O-CG2 3.29Å; L363-V367 WeakPolarHBondContact O-CG2 3.35Å; L363-V367 PolarHBondContact O-N 3.03Å; L363-V367 VanDerWaalsContact O-N 3.15Å; K364-V367 PolarHBondContact O-N 2.9Å; K364-V367 VanDerWaalsContact O-N 3.13Å; V367-R371 WeakPolarHBondContact O-CB 3.17Å; V367-R371 PolarHBondContact O-N 3.47Å |
| 368 | E | 97.1 | Very high | 97.5 | Very high | 136 Ų | 136 | 104.9 Ų | 104.9 | 64% | 0.636 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.9 | -40.6 | 175.9 | -72.6 | 179.6 | -164.3 | 0 | 0 | 111.6 | K364 E365 R371 M372 | K364-E368 WeakPolarHBondContact O-CB 3.37Å; K364-E368 WeakPolarHBondContact O-CG 3.24Å; K364-E368 PolarHBondContact O-N 3.05Å; E365-E368 PolarHBondContact O-N 2.99Å; E368-R371 PolarHBondContact O-N 2.84Å; E368-M372 PolarHBondContact O-N 3.47Å |
| 369 | S | 96.6 | Very high | 97.5 | Very high | 70 Ų | 70 | 103.9 Ų | 103.9 | 49% | 0.49 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.6 | -47.6 | 172.7 | -174.9 | 0 | 0 | 0 | 0 | 111.9 | E365 R371 M372 C373 | E365-S369 WeakPolarHBondContact O-CB 3.4Å; E365-S369 PolarHBondContact O-N 3.24Å; S369-R371 VanDerWaalsContact C-N 3.34Å; S369-R371 PolarHBondContact O-N 3.17Å; S369-M372 WeakPolarHBondContact O-CB 3.28Å; S369-M372 PolarHBondContact O-N 2.95Å; S369-M372 VanDerWaalsContact O-N 3.13Å; S369-C373 PolarHBondContact O-N 2.82Å; S369-C373 PolarHBondContact O-SG 3.25Å |
| 370 | Q | 97.5 | Very high | 97.4 | Very high | 111 Ų | 111 | 103.3 Ų | 103.3 | 52% | 0.519 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -55.9 | -48.5 | 173.8 | 178.3 | -176.9 | -22 | 0 | 0 | 111.2 | A366 M372 C373 E374 | A366-Q370 WeakPolarHBondContact O-CB 3.42Å; A366-Q370 PolarHBondContact O-N 3Å; Q370-M372 VanDerWaalsContact C-N 3.27Å; Q370-M372 PolarHBondContact O-N 3.45Å; Q370-C373 WeakPolarHBondContact O-CB 3.44Å; Q370-C373 PolarHBondContact O-N 3.02Å; Q370-C373 VanDerWaalsContact O-N 3.13Å; Q370-E374 HydrophobicContact CG-CG 4.47Å; Q370-E374 WeakPolarHBondContact CG-OE1 3.44Å; Q370-E374 PolarHBondContact NE2-OE1 3.44Å; Q370-E374 WeakPolarHBondContact O-CG 3.45Å; Q370-E374 PolarHBondContact O-N 3.4Å |
| 371 | R | 97.9 | Very high | 97.4 | Very high | 190 Ų | 190 | 103.8 Ų | 103.8 | 72% | 0.717 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.1 | -36.4 | 178.3 | -176.1 | -178.6 | 178.2 | -167.6 | -0.3 | 112.2 | V367 E368 S369 L375 | V367-R371 WeakPolarHBondContact O-CB 3.17Å; V367-R371 PolarHBondContact O-N 3.47Å; E368-R371 PolarHBondContact O-N 2.84Å; S369-R371 VanDerWaalsContact C-N 3.34Å; S369-R371 PolarHBondContact O-N 3.17Å; R371-L375 WeakPolarHBondContact O-CB 3.38Å; R371-L375 PolarHBondContact O-N 2.97Å |
| 372 | M | 97.1 | Very high | 97.3 | Very high | 105 Ų | 105 | 103.3 Ų | 103.3 | 52% | 0.517 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.5 | -42.7 | 174.6 | -169.4 | 58.3 | 63.1 | 0 | 0 | 111.7 | E368 S369 Q370 E374 L375 M376 | E368-M372 PolarHBondContact O-N 3.47Å; S369-M372 WeakPolarHBondContact O-CB 3.28Å; S369-M372 PolarHBondContact O-N 2.95Å; S369-M372 VanDerWaalsContact O-N 3.13Å; Q370-M372 VanDerWaalsContact C-N 3.27Å; Q370-M372 PolarHBondContact O-N 3.45Å; M372-E374 VanDerWaalsContact C-N 3.35Å; M372-E374 PolarHBondContact O-N 2.98Å; M372-L375 PolarHBondContact O-N 3.25Å; M372-L375 HydrophobicContact SD-CD2 4.37Å; M372-M376 WeakPolarHBondContact O-CB 3.46Å; M372-M376 VanDerWaalsContact O-CG 3.3Å; M372-M376 WeakPolarHBondContact O-CG 3.4Å; M372-M376 PolarHBondContact O-N 2.97Å; M372-M376 HydrophobicContact SD-CE 4.02Å |
| 373 | C | 96.4 | Very high | 97.3 | Very high | 81 Ų | 81 | 103 Ų | 103 | 55% | 0.547 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.9 | -40 | 173.6 | -69 | 0 | 0 | 0 | 0 | 112.4 | S369 Q370 M376 K377 | S369-C373 PolarHBondContact O-N 2.82Å; S369-C373 PolarHBondContact O-SG 3.25Å; Q370-C373 WeakPolarHBondContact O-CB 3.44Å; Q370-C373 PolarHBondContact O-N 3.02Å; Q370-C373 VanDerWaalsContact O-N 3.13Å; C373-M376 PolarHBondContact O-N 3.12Å; C373-K377 VanDerWaalsContact O-CB 3.29Å; C373-K377 WeakPolarHBondContact O-CB 3.47Å; C373-K377 PolarHBondContact O-N 3.28Å |
| 374 | E | 97.1 | Very high | 97.2 | Very high | 92 Ų | 92 | 103.9 Ų | 103.9 | 43% | 0.43 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64 | -42.8 | 175.1 | -74 | 174.2 | -171.7 | 0 | 0 | 112 | Q370 M372 K377 Q378 | Q370-E374 HydrophobicContact CG-CG 4.47Å; Q370-E374 WeakPolarHBondContact CG-OE1 3.44Å; Q370-E374 PolarHBondContact NE2-OE1 3.44Å; Q370-E374 WeakPolarHBondContact O-CG 3.45Å; Q370-E374 PolarHBondContact O-N 3.4Å; M372-E374 VanDerWaalsContact C-N 3.35Å; M372-E374 PolarHBondContact O-N 2.98Å; E374-K377 PolarHBondContact O-N 2.84Å; E374-Q378 WeakPolarHBondContact O-CG 3.45Å; E374-Q378 PolarHBondContact O-N 2.78Å |
| 375 | L | 97.8 | Very high | 97.2 | Very high | 77 Ų | 77 | 103.8 Ų | 103.8 | 40% | 0.403 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.4 | -44.2 | 174.9 | -179.6 | 62.7 | 0 | 0 | 0 | 112 | R371 M372 K377 Q378 Q379 | R371-L375 WeakPolarHBondContact O-CB 3.38Å; R371-L375 PolarHBondContact O-N 2.97Å; M372-L375 PolarHBondContact O-N 3.25Å; M372-L375 HydrophobicContact SD-CD2 4.37Å; L375-K377 VanDerWaalsContact C-N 3.34Å; L375-K377 PolarHBondContact O-N 3.38Å; L375-Q378 WeakPolarHBondContact O-CB 3.41Å; L375-Q378 PolarHBondContact O-N 3.29Å; L375-Q379 WeakPolarHBondContact O-CG 3.44Å; L375-Q379 PolarHBondContact O-N 3.27Å |
| 376 | M | 97.1 | Very high | 97.2 | Very high | 96 Ų | 96 | 102.7 Ų | 102.7 | 47% | 0.473 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.9 | -39.5 | 176.6 | -70.9 | -67.2 | 157 | 0 | 0 | 111.7 | M372 C373 Q378 Q379 E380 | M372-M376 WeakPolarHBondContact O-CB 3.46Å; M372-M376 VanDerWaalsContact O-CG 3.3Å; M372-M376 WeakPolarHBondContact O-CG 3.4Å; M372-M376 PolarHBondContact O-N 2.97Å; M372-M376 HydrophobicContact SD-CE 4.02Å; C373-M376 PolarHBondContact O-N 3.12Å; M376-Q378 PolarHBondContact O-N 2.98Å; M376-Q379 PolarHBondContact O-N 3Å; M376-E380 WeakPolarHBondContact O-CB 3.21Å; M376-E380 PolarHBondContact O-N 2.97Å |
| 377 | K | 97.6 | Very high | 97.1 | Very high | 139 Ų | 139 | 105.5 Ų | 105.5 | 60% | 0.604 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.8 | -38.1 | 173.5 | -174 | 178.2 | -179.8 | -179.2 | 0 | 112.2 | C373 E374 L375 E380 T381 | C373-K377 VanDerWaalsContact O-CB 3.29Å; C373-K377 WeakPolarHBondContact O-CB 3.47Å; C373-K377 PolarHBondContact O-N 3.28Å; E374-K377 PolarHBondContact O-N 2.84Å; L375-K377 VanDerWaalsContact C-N 3.34Å; L375-K377 PolarHBondContact O-N 3.38Å; K377-E380 PolarHBondContact O-N 2.64Å; K377-T381 WeakPolarHBondContact O-CG2 3.41Å; K377-T381 PolarHBondContact O-N 3.36Å; K377-T381 PolarHBondContact O-OG1 2.82Å |
| 378 | Q | 97.5 | Very high | 97 | Very high | 123 Ų | 123 | 104.4 Ų | 104.4 | 58% | 0.575 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.7 | -47 | 172.6 | -72.4 | 172.1 | 18.7 | 0 | 0 | 111.2 | E374 L375 M376 E380 T381 H382 | E374-Q378 WeakPolarHBondContact O-CG 3.45Å; E374-Q378 PolarHBondContact O-N 2.78Å; L375-Q378 WeakPolarHBondContact O-CB 3.41Å; L375-Q378 PolarHBondContact O-N 3.29Å; M376-Q378 PolarHBondContact O-N 2.98Å; Q378-E380 PolarHBondContact O-N 2.8Å; Q378-T381 PolarHBondContact O-N 3.15Å; Q378-T381 PolarHBondContact O-OG1 2.96Å; Q378-H382 PolarHBondContact O-N 2.75Å |
| 379 | Q | 97.3 | Very high | 97 | Very high | 96 Ų | 96 | 102.2 Ų | 102.2 | 45% | 0.449 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.9 | -43 | 175.1 | -68.3 | -179.2 | 8.9 | 0 | 0 | 112.2 | L375 M376 T381 H382 L383 | L375-Q379 WeakPolarHBondContact O-CG 3.44Å; L375-Q379 PolarHBondContact O-N 3.27Å; M376-Q379 PolarHBondContact O-N 3Å; Q379-T381 PolarHBondContact O-N 2.98Å; Q379-H382 PolarHBondContact O-N 3.32Å; Q379-L383 WeakPolarHBondContact O-CG 3.47Å; Q379-L383 PolarHBondContact O-N 3.4Å |
| 380 | E | 96.3 | Very high | 97 | Very high | 93 Ų | 93 | 105.5 Ų | 105.5 | 44% | 0.435 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.5 | -46.5 | 174.8 | -168.8 | -153.6 | 153.4 | 0 | 0 | 111.6 | M376 K377 Q378 H382 L383 K384 | M376-E380 WeakPolarHBondContact O-CB 3.21Å; M376-E380 PolarHBondContact O-N 2.97Å; K377-E380 PolarHBondContact O-N 2.64Å; Q378-E380 PolarHBondContact O-N 2.8Å; E380-H382 VanDerWaalsContact C-N 3.34Å; E380-H382 PolarHBondContact O-N 3.45Å; E380-L383 PolarHBondContact O-N 2.96Å; E380-K384 HydrophobicContact CG-CD 4.39Å; E380-K384 WeakPolarHBondContact O-CB 3.32Å; E380-K384 WeakPolarHBondContact O-CG 3.32Å; E380-K384 PolarHBondContact O-N 2.85Å; E380-K384 VanDerWaalsContact OE1-CE 3.26Å; E380-K384 WeakPolarHBondContact OE1-CE 3.23Å; E380-K384 IonicContact OE1-NZ 2.61Å; E380-K384 PolarHBondContact OE1-NZ 3.01Å |
| 381 | T | 97.1 | Very high | 96.9 | Very high | 66 Ų | 66 | 103.9 Ų | 103.9 | 41% | 0.405 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65 | -36.5 | 176.9 | 55.3 | 0 | 0 | 0 | 0 | 112.8 | K377 Q378 Q379 K384 Q385 | K377-T381 WeakPolarHBondContact O-CG2 3.41Å; K377-T381 PolarHBondContact O-N 3.36Å; K377-T381 PolarHBondContact O-OG1 2.82Å; Q378-T381 PolarHBondContact O-N 3.15Å; Q378-T381 PolarHBondContact O-OG1 2.96Å; Q379-T381 PolarHBondContact O-N 2.98Å; T381-K384 PolarHBondContact O-N 3.34Å; T381-Q385 VanDerWaalsContact O-CG 3.29Å; T381-Q385 WeakPolarHBondContact O-CG 3.39Å; T381-Q385 PolarHBondContact O-N 3.06Å |
| 382 | H | 97.4 | Very high | 96.8 | Very high | 116 Ų | 116 | 100 Ų | 100 | 54% | 0.537 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.4 | -43.3 | 176.7 | -174.3 | 55.4 | 0 | 0 | 0 | 112.1 | Q378 Q379 E380 K384 Q385 Q386 | Q378-H382 PolarHBondContact O-N 2.75Å; Q379-H382 PolarHBondContact O-N 3.32Å; E380-H382 VanDerWaalsContact C-N 3.34Å; E380-H382 PolarHBondContact O-N 3.45Å; H382-K384 VanDerWaalsContact C-N 3.33Å; H382-K384 PolarHBondContact O-N 3.05Å; H382-Q385 WeakPolarHBondContact O-CB 3.42Å; H382-Q385 PolarHBondContact O-N 3.28Å; H382-Q386 PolarHBondContact O-N 3.42Å |
| 383 | L | 97.3 | Very high | 96.7 | Very high | 98 Ų | 98 | 98.5 Ų | 98.5 | 51% | 0.513 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.6 | -37.9 | 174 | -70.8 | 170.3 | 0 | 0 | 0 | 111.7 | Q379 E380 Q386 L387 | Q379-L383 WeakPolarHBondContact O-CG 3.47Å; Q379-L383 PolarHBondContact O-N 3.4Å; E380-L383 PolarHBondContact O-N 2.96Å; L383-Q386 PolarHBondContact O-N 3.03Å; L383-L387 WeakPolarHBondContact O-CB 3.49Å; L383-L387 VanDerWaalsContact O-CG 3.32Å; L383-L387 WeakPolarHBondContact O-CG 3.32Å; L383-L387 PolarHBondContact O-N 2.88Å |
| 384 | K | 96.8 | Very high | 96.6 | Very high | 122 Ų | 122 | 101 Ų | 101 | 53% | 0.53 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 172.6 | -79.1 | 174.5 | 168 | 176.2 | 0 | 112.7 | E380 T381 H382 A388 | E380-K384 HydrophobicContact CG-CD 4.39Å; E380-K384 WeakPolarHBondContact O-CB 3.32Å; E380-K384 WeakPolarHBondContact O-CG 3.32Å; E380-K384 PolarHBondContact O-N 2.85Å; E380-K384 VanDerWaalsContact OE1-CE 3.26Å; E380-K384 WeakPolarHBondContact OE1-CE 3.23Å; E380-K384 IonicContact OE1-NZ 2.61Å; E380-K384 PolarHBondContact OE1-NZ 3.01Å; T381-K384 PolarHBondContact O-N 3.34Å; H382-K384 VanDerWaalsContact C-N 3.33Å; H382-K384 PolarHBondContact O-N 3.05Å; K384-A388 WeakPolarHBondContact O-CB 3.21Å; K384-A388 PolarHBondContact O-N 2.96Å |
| 385 | Q | 97.1 | Very high | 96.5 | Very high | 126 Ų | 126 | 101.7 Ų | 101.7 | 59% | 0.589 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.6 | -43.3 | 172.8 | -73 | 165.9 | -7 | 0 | 0 | 111.7 | T381 H382 A388 L389 | T381-Q385 VanDerWaalsContact O-CG 3.29Å; T381-Q385 WeakPolarHBondContact O-CG 3.39Å; T381-Q385 PolarHBondContact O-N 3.06Å; H382-Q385 WeakPolarHBondContact O-CB 3.42Å; H382-Q385 PolarHBondContact O-N 3.28Å; Q385-A388 PolarHBondContact O-N 2.86Å; Q385-L389 WeakPolarHBondContact O-CB 3.34Å; Q385-L389 PolarHBondContact O-N 3.41Å |
| 386 | Q | 96.3 | Very high | 96.2 | Very high | 80 Ų | 80 | 102.3 Ų | 102.3 | 37% | 0.374 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65 | -41.3 | 177.8 | -169.9 | -177.9 | 11.9 | 0 | 0 | 111.9 | H382 L383 L389 Y390 | H382-Q386 PolarHBondContact O-N 3.42Å; L383-Q386 PolarHBondContact O-N 3.03Å; Q386-L389 PolarHBondContact O-N 3.08Å; Q386-Y390 HydrophobicContact CG-CD2 3.98Å; Q386-Y390 HydrophobicContact CG-CE2 3.57Å; Q386-Y390 PolarHBondContact NE2-OH 2.89Å; Q386-Y390 VanDerWaalsContact O-CD2 3.27Å; Q386-Y390 WeakPolarHBondContact O-CD2 3.44Å; Q386-Y390 PolarHBondContact O-N 3.26Å |
| 387 | L | 95.7 | Very high | 96.1 | Very high | 115 Ų | 115 | 104.8 Ų | 104.8 | 60% | 0.602 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61 | -48 | 173 | -76.1 | 168.7 | 0 | 0 | 0 | 111.4 | L383 L389 Y390 T391 | L383-L387 WeakPolarHBondContact O-CB 3.49Å; L383-L387 VanDerWaalsContact O-CG 3.32Å; L383-L387 WeakPolarHBondContact O-CG 3.32Å; L383-L387 PolarHBondContact O-N 2.88Å; L387-L389 VanDerWaalsContact C-N 3.32Å; L387-L389 PolarHBondContact O-N 3.21Å; L387-Y390 PolarHBondContact O-N 3.29Å; L387-Y390 VanDerWaalsContact O-N 3.15Å; L387-T391 PolarHBondContact O-N 3.05Å; L387-T391 PolarHBondContact O-OG1 3.13Å |
| 388 | A | 95.9 | Very high | 95.9 | Very high | 60 Ų | 60 | 103.3 Ų | 103.3 | 50% | 0.496 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.6 | -41.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | K384 Q385 T391 E392 | K384-A388 WeakPolarHBondContact O-CB 3.21Å; K384-A388 PolarHBondContact O-N 2.96Å; Q385-A388 PolarHBondContact O-N 2.86Å; A388-T391 WeakPolarHBondContact O-CB 3.49Å; A388-T391 PolarHBondContact O-N 2.76Å; A388-E392 PolarHBondContact O-N 3.36Å |
| 389 | L | 96.8 | Very high | 95.6 | Very high | 90 Ų | 90 | 101.7 Ų | 101.7 | 47% | 0.471 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.8 | -38.5 | 175.2 | -176.7 | 151 | 0 | 0 | 0 | 112.1 | Q385 Q386 L387 K393 | Q385-L389 WeakPolarHBondContact O-CB 3.34Å; Q385-L389 PolarHBondContact O-N 3.41Å; Q386-L389 PolarHBondContact O-N 3.08Å; L387-L389 VanDerWaalsContact C-N 3.32Å; L387-L389 PolarHBondContact O-N 3.21Å; L389-K393 HydrophobicContact CD2-CG 4.24Å; L389-K393 WeakPolarHBondContact O-CB 3.22Å; L389-K393 WeakPolarHBondContact O-CG 3.45Å; L389-K393 PolarHBondContact O-N 2.72Å |
| 390 | Y | 96.4 | Very high | 95.4 | Very high | 140 Ų | 140 | 101.3 Ų | 101.3 | 55% | 0.549 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -70.3 | -33.1 | 173.1 | -73.1 | -47.2 | 0 | 0 | 0 | 112.9 | Q386 L387 F394 | Q386-Y390 HydrophobicContact CG-CD2 3.98Å; Q386-Y390 HydrophobicContact CG-CE2 3.57Å; Q386-Y390 PolarHBondContact NE2-OH 2.89Å; Q386-Y390 VanDerWaalsContact O-CD2 3.27Å; Q386-Y390 WeakPolarHBondContact O-CD2 3.44Å; Q386-Y390 PolarHBondContact O-N 3.26Å; L387-Y390 PolarHBondContact O-N 3.29Å; L387-Y390 VanDerWaalsContact O-N 3.15Å; Y390-F394 WeakPolarHBondContact O-CB 3.33Å; Y390-F394 PolarHBondContact O-N 3.17Å |
| 391 | T | 96.3 | Very high | 95.3 | Very high | 76 Ų | 76 | 102.6 Ų | 102.6 | 47% | 0.466 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.8 | -50.3 | 171.1 | -62.8 | 0 | 0 | 0 | 0 | 110.9 | L387 A388 K393 F394 E395 | L387-T391 PolarHBondContact O-N 3.05Å; L387-T391 PolarHBondContact O-OG1 3.13Å; A388-T391 WeakPolarHBondContact O-CB 3.49Å; A388-T391 PolarHBondContact O-N 2.76Å; T391-K393 VanDerWaalsContact C-N 3.32Å; T391-K393 PolarHBondContact O-N 3.29Å; T391-F394 WeakPolarHBondContact O-CB 3.5Å; T391-F394 PolarHBondContact O-N 2.9Å; T391-F394 VanDerWaalsContact O-N 3.07Å; T391-E395 WeakPolarHBondContact O-CG 3.46Å; T391-E395 PolarHBondContact O-N 2.58Å |
| 392 | E | 95.1 | Very high | 95 | Very high | 108 Ų | 108 | 102.8 Ų | 102.8 | 51% | 0.505 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -56.4 | -44.9 | 175.2 | -179 | -174.4 | -135.8 | 0 | 0 | 111.4 | A388 F394 E395 E396 | A388-E392 PolarHBondContact O-N 3.36Å; E392-F394 PolarHBondContact O-N 2.7Å; E392-E395 PolarHBondContact O-N 3.13Å; E392-E396 WeakPolarHBondContact O-CG 3.25Å; E392-E396 PolarHBondContact O-N 2.85Å |
| 393 | K | 95.1 | Very high | 94.8 | Very high | 74 Ų | 74 | 103.5 Ų | 103.5 | 32% | 0.322 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.1 | -35.9 | 175.9 | -71.2 | -78.9 | 156.6 | -74.6 | 0 | 112.6 | L389 T391 E396 F397 | L389-K393 HydrophobicContact CD2-CG 4.24Å; L389-K393 WeakPolarHBondContact O-CB 3.22Å; L389-K393 WeakPolarHBondContact O-CG 3.45Å; L389-K393 PolarHBondContact O-N 2.72Å; T391-K393 VanDerWaalsContact C-N 3.32Å; T391-K393 PolarHBondContact O-N 3.29Å; K393-E396 WeakPolarHBondContact CD-OE2 3.49Å; K393-E396 WeakPolarHBondContact CE-OE2 3.35Å; K393-E396 IonicContact NZ-OE1 2.64Å; K393-E396 PolarHBondContact NZ-OE1 3.36Å; K393-E396 IonicContact NZ-OE2 3.16Å; K393-E396 PolarHBondContact NZ-OE2 2.89Å; K393-E396 PolarHBondContact O-N 3.47Å; K393-F397 WeakPolarHBondContact O-CD2 3.46Å; K393-F397 PolarHBondContact O-N 3.45Å |
| 394 | F | 94.7 | Very high | 94.5 | Very high | 135 Ų | 135 | 101.1 Ų | 101.1 | 59% | 0.592 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.2 | -40.2 | 173.8 | -171.4 | -90.8 | 0 | 0 | 0 | 111.5 | Y390 T391 E392 F397 Q398 | Y390-F394 WeakPolarHBondContact O-CB 3.33Å; Y390-F394 PolarHBondContact O-N 3.17Å; T391-F394 WeakPolarHBondContact O-CB 3.5Å; T391-F394 PolarHBondContact O-N 2.9Å; T391-F394 VanDerWaalsContact O-N 3.07Å; E392-F394 PolarHBondContact O-N 2.7Å; F394-F397 PolarHBondContact O-N 3.06Å; F394-Q398 WeakPolarHBondContact O-CB 3.31Å; F394-Q398 PolarHBondContact O-N 3.42Å |
| 395 | E | 94.2 | Very high | 94.2 | Very high | 106 Ų | 106 | 98.6 Ų | 98.6 | 50% | 0.495 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.9 | -39.2 | 173.4 | -71.8 | 178.3 | -164.1 | 0 | 0 | 111.8 | T391 E392 Q398 N399 | T391-E395 WeakPolarHBondContact O-CG 3.46Å; T391-E395 PolarHBondContact O-N 2.58Å; E392-E395 PolarHBondContact O-N 3.13Å; E395-Q398 PolarHBondContact O-N 2.86Å; E395-N399 VanDerWaalsContact O-CB 3.23Å; E395-N399 WeakPolarHBondContact O-CB 3.24Å; E395-N399 PolarHBondContact O-N 3.04Å; E395-N399 PolarHBondContact O-ND2 3.29Å |
| 396 | E | 92.9 | Very high | 93.9 | Very high | 89 Ų | 89 | 98.7 Ų | 98.7 | 42% | 0.416 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.8 | -47.9 | 170.1 | -79.8 | 175.3 | -167.9 | 0 | 0 | 111.8 | E392 K393 T400 | E392-E396 WeakPolarHBondContact O-CG 3.25Å; E392-E396 PolarHBondContact O-N 2.85Å; K393-E396 WeakPolarHBondContact CD-OE2 3.49Å; K393-E396 WeakPolarHBondContact CE-OE2 3.35Å; K393-E396 IonicContact NZ-OE1 2.64Å; K393-E396 PolarHBondContact NZ-OE1 3.36Å; K393-E396 IonicContact NZ-OE2 3.16Å; K393-E396 PolarHBondContact NZ-OE2 2.89Å; K393-E396 PolarHBondContact O-N 3.47Å; E396-T400 VanDerWaalsContact O-CB 3.25Å; E396-T400 WeakPolarHBondContact O-CB 3.48Å; E396-T400 PolarHBondContact O-N 3.04Å; E396-T400 PolarHBondContact O-OG1 3.12Å |
| 397 | F | 93.9 | Very high | 93.7 | Very high | 148 Ų | 148 | 98.5 Ų | 98.5 | 65% | 0.649 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.3 | -42.6 | 176.7 | -81.2 | -59.1 | 0 | 0 | 0 | 111.9 | K393 F394 T400 L401 | K393-F397 WeakPolarHBondContact O-CD2 3.46Å; K393-F397 PolarHBondContact O-N 3.45Å; F394-F397 PolarHBondContact O-N 3.06Å; F397-T400 PolarHBondContact O-N 3.45Å; F397-L401 VanDerWaalsContact O-CB 3.25Å; F397-L401 WeakPolarHBondContact O-CB 3.41Å; F397-L401 PolarHBondContact O-N 2.98Å |
| 398 | Q | 93.3 | Very high | 93.5 | Very high | 108 Ų | 108 | 100.2 Ų | 100.2 | 51% | 0.505 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.1 | -43 | 179.9 | -167.9 | 169.8 | 17.4 | 0 | 0 | 111.3 | F394 E395 T400 L401 S402 | F394-Q398 WeakPolarHBondContact O-CB 3.31Å; F394-Q398 PolarHBondContact O-N 3.42Å; E395-Q398 PolarHBondContact O-N 2.86Å; Q398-T400 VanDerWaalsContact C-N 3.33Å; Q398-T400 PolarHBondContact O-N 2.9Å; Q398-L401 PolarHBondContact O-N 2.72Å; Q398-S402 WeakPolarHBondContact O-CB 3.16Å; Q398-S402 PolarHBondContact O-N 3.15Å; Q398-S402 PolarHBondContact O-OG 2.81Å; Q398-S402 VanDerWaalsContact O-OG 3.05Å |
| 399 | N | 92.8 | Very high | 93.2 | Very high | 89 Ų | 89 | 100.7 Ų | 100.7 | 48% | 0.476 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.3 | -41.9 | 171.6 | -84.1 | -70.2 | 0 | 0 | 0 | 112 | E395 S402 K403 | E395-N399 VanDerWaalsContact O-CB 3.23Å; E395-N399 WeakPolarHBondContact O-CB 3.24Å; E395-N399 PolarHBondContact O-N 3.04Å; E395-N399 PolarHBondContact O-ND2 3.29Å; N399-S402 PolarHBondContact O-N 2.81Å; N399-K403 WeakPolarHBondContact O-CB 3.47Å; N399-K403 VanDerWaalsContact O-CG 3.27Å; N399-K403 WeakPolarHBondContact O-CG 3.37Å; N399-K403 PolarHBondContact O-N 2.71Å |
| 400 | T | 93.1 | Very high | 92.9 | Very high | 88 Ų | 88 | 99.6 Ų | 99.6 | 54% | 0.54 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68 | -39.6 | 178.2 | -58.4 | 0 | 0 | 0 | 0 | 111.4 | E396 F397 Q398 S404 | E396-T400 VanDerWaalsContact O-CB 3.25Å; E396-T400 WeakPolarHBondContact O-CB 3.48Å; E396-T400 PolarHBondContact O-N 3.04Å; E396-T400 PolarHBondContact O-OG1 3.12Å; F397-T400 PolarHBondContact O-N 3.45Å; Q398-T400 VanDerWaalsContact C-N 3.33Å; Q398-T400 PolarHBondContact O-N 2.9Å; T400-S404 WeakPolarHBondContact O-CB 3.31Å; T400-S404 PolarHBondContact O-N 2.66Å |
| 401 | L | 92.9 | Very high | 92.6 | Very high | 120 Ų | 120 | 99.4 Ų | 99.4 | 63% | 0.628 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.4 | -39.4 | 174.6 | -177.5 | 62.5 | 0 | 0 | 0 | 111.8 | F397 Q398 S404 S405 | F397-L401 VanDerWaalsContact O-CB 3.25Å; F397-L401 WeakPolarHBondContact O-CB 3.41Å; F397-L401 PolarHBondContact O-N 2.98Å; Q398-L401 PolarHBondContact O-N 2.72Å; L401-S404 WeakPolarHBondContact O-CB 3.43Å; L401-S404 PolarHBondContact O-N 3.38Å; L401-S405 WeakPolarHBondContact O-CB 3.39Å; L401-S405 PolarHBondContact O-N 2.8Å |
| 402 | S | 92 | Very high | 92.4 | Very high | 71 Ų | 71 | 102.3 Ų | 102.3 | 50% | 0.497 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.2 | -48.6 | 174.4 | -66.7 | 0 | 0 | 0 | 0 | 111.7 | Q398 N399 S404 S405 E406 | Q398-S402 WeakPolarHBondContact O-CB 3.16Å; Q398-S402 PolarHBondContact O-N 3.15Å; Q398-S402 PolarHBondContact O-OG 2.81Å; Q398-S402 VanDerWaalsContact O-OG 3.05Å; N399-S402 PolarHBondContact O-N 2.81Å; S402-S404 VanDerWaalsContact C-N 3.31Å; S402-S404 PolarHBondContact O-N 3.03Å; S402-S405 WeakPolarHBondContact O-CB 3.4Å; S402-S405 PolarHBondContact O-N 3.34Å; S402-E406 PolarHBondContact O-N 3.13Å |
| 403 | K | 92.3 | Very high | 92.2 | Very high | 130 Ų | 130 | 101.9 Ų | 101.9 | 57% | 0.565 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.2 | -39.9 | 174 | -70.2 | 166.9 | -175.3 | 174.8 | 0 | 111.9 | N399 E406 V407 | N399-K403 WeakPolarHBondContact O-CB 3.47Å; N399-K403 VanDerWaalsContact O-CG 3.27Å; N399-K403 WeakPolarHBondContact O-CG 3.37Å; N399-K403 PolarHBondContact O-N 2.71Å; K403-E406 PolarHBondContact O-N 2.82Å; K403-V407 WeakPolarHBondContact O-CB 3.43Å; K403-V407 WeakPolarHBondContact O-CG2 3.38Å; K403-V407 PolarHBondContact O-N 3.01Å |
| 404 | S | 90.4 | Very high | 91.9 | Very high | 49 Ų | 49 | 103.9 Ų | 103.9 | 34% | 0.343 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.8 | -47 | 173.7 | 178.1 | 0 | 0 | 0 | 0 | 111.5 | T400 L401 S402 E406 V407 F408 | T400-S404 WeakPolarHBondContact O-CB 3.31Å; T400-S404 PolarHBondContact O-N 2.66Å; L401-S404 WeakPolarHBondContact O-CB 3.43Å; L401-S404 PolarHBondContact O-N 3.38Å; S402-S404 VanDerWaalsContact C-N 3.31Å; S402-S404 PolarHBondContact O-N 3.03Å; S404-E406 VanDerWaalsContact C-N 3.33Å; S404-E406 PolarHBondContact O-N 3.48Å; S404-V407 PolarHBondContact O-N 3.43Å; S404-F408 VanDerWaalsContact O-CD2 3.29Å; S404-F408 WeakPolarHBondContact O-CD2 3.37Å; S404-F408 PolarHBondContact O-N 3Å |
| 405 | S | 90.8 | Very high | 91.6 | Very high | 68 Ų | 68 | 103.4 Ų | 103.4 | 48% | 0.476 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.2 | -38.6 | 177 | -169.6 | 0 | 0 | 0 | 0 | 112.6 | L401 S402 T409 | L401-S405 WeakPolarHBondContact O-CB 3.39Å; L401-S405 PolarHBondContact O-N 2.8Å; S402-S405 WeakPolarHBondContact O-CB 3.4Å; S402-S405 PolarHBondContact O-N 3.34Å; S405-T409 WeakPolarHBondContact O-CB 3.47Å; S405-T409 PolarHBondContact O-N 3.27Å; S405-T409 PolarHBondContact O-OG1 3.11Å |
| 406 | E | 91.9 | Very high | 91.5 | Very high | 129 Ų | 129 | 102 Ų | 102 | 60% | 0.603 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.4 | -48.6 | 172.1 | -175 | 175.9 | -160.1 | 0 | 0 | 111.3 | S402 K403 S404 F408 T409 T410 | S402-E406 PolarHBondContact O-N 3.13Å; K403-E406 PolarHBondContact O-N 2.82Å; S404-E406 VanDerWaalsContact C-N 3.33Å; S404-E406 PolarHBondContact O-N 3.48Å; E406-F408 PolarHBondContact O-N 3.38Å; E406-T409 CarbonylContact O-C 3.55Å; E406-T409 WeakPolarHBondContact O-CA 3.27Å; E406-T409 WeakPolarHBondContact O-CB 3.32Å; E406-T409 PolarHBondContact O-N 2.83Å; E406-T410 PolarHBondContact O-N 2.85Å; E406-T410 PolarHBondContact O-OG1 2.68Å |
| 407 | V | 92.1 | Very high | 91.4 | Very high | 76 Ų | 76 | 103.8 Ų | 103.8 | 46% | 0.461 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.4 | -40.4 | 176.4 | 168.9 | 0 | 0 | 0 | 0 | 112.3 | K403 S404 T409 T410 F411 | K403-V407 WeakPolarHBondContact O-CB 3.43Å; K403-V407 WeakPolarHBondContact O-CG2 3.38Å; K403-V407 PolarHBondContact O-N 3.01Å; S404-V407 PolarHBondContact O-N 3.43Å; V407-T409 VanDerWaalsContact C-N 3.28Å; V407-T409 PolarHBondContact O-N 2.92Å; V407-T410 WeakPolarHBondContact CA-OG1 3.48Å; V407-T410 PolarHBondContact O-N 3.34Å; V407-T410 PolarHBondContact O-OG1 2.88Å; V407-F411 HydrophobicContact CG1-CD2 3.74Å; V407-F411 HydrophobicContact CG1-CE2 3.95Å; V407-F411 WeakPolarHBondContact O-CB 3.47Å; V407-F411 WeakPolarHBondContact O-CD2 3.35Å; V407-F411 PolarHBondContact O-N 3.18Å |
| 408 | F | 89.8 | Confident | 91.3 | Very high | 151 Ų | 151 | 102.5 Ų | 102.5 | 66% | 0.662 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.1 | -36.3 | 171.5 | -88.7 | -70.6 | 0 | 0 | 0 | 112 | S404 E406 K412 | S404-F408 VanDerWaalsContact O-CD2 3.29Å; S404-F408 WeakPolarHBondContact O-CD2 3.37Å; S404-F408 PolarHBondContact O-N 3Å; E406-F408 PolarHBondContact O-N 3.38Å; F408-K412 VanDerWaalsContact O-CB 3.31Å; F408-K412 WeakPolarHBondContact O-CB 3.33Å; F408-K412 PolarHBondContact O-N 3.39Å |
| 409 | T | 91.1 | Very high | 91.1 | Very high | 70 Ų | 70 | 99.9 Ų | 99.9 | 43% | 0.429 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70.6 | -42.4 | 178.4 | -61.1 | 0 | 0 | 0 | 0 | 111.6 | S405 E406 V407 K412 Q413 | S405-T409 WeakPolarHBondContact O-CB 3.47Å; S405-T409 PolarHBondContact O-N 3.27Å; S405-T409 PolarHBondContact O-OG1 3.11Å; E406-T409 CarbonylContact O-C 3.55Å; E406-T409 WeakPolarHBondContact O-CA 3.27Å; E406-T409 WeakPolarHBondContact O-CB 3.32Å; E406-T409 PolarHBondContact O-N 2.83Å; V407-T409 VanDerWaalsContact C-N 3.28Å; V407-T409 PolarHBondContact O-N 2.92Å; T409-K412 PolarHBondContact O-N 3.34Å; T409-Q413 WeakPolarHBondContact O-CG 3.11Å; T409-Q413 PolarHBondContact O-N 3.3Å |
| 410 | T | 89.1 | Confident | 91.1 | Very high | 67 Ų | 67 | 101.7 Ų | 101.7 | 41% | 0.411 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67 | -46.5 | 174.7 | 57 | 0 | 0 | 0 | 0 | 111.2 | E406 V407 K412 Q413 E414 | E406-T410 PolarHBondContact O-N 2.85Å; E406-T410 PolarHBondContact O-OG1 2.68Å; V407-T410 WeakPolarHBondContact CA-OG1 3.48Å; V407-T410 PolarHBondContact O-N 3.34Å; V407-T410 PolarHBondContact O-OG1 2.88Å; T410-K412 VanDerWaalsContact C-N 3.3Å; T410-K412 PolarHBondContact O-N 3.14Å; T410-Q413 WeakPolarHBondContact O-CB 3.45Å; T410-Q413 PolarHBondContact O-N 3.11Å; T410-Q413 VanDerWaalsContact O-N 3.08Å; T410-E414 WeakPolarHBondContact O-CG 3.44Å; T410-E414 PolarHBondContact O-N 2.8Å |
| 411 | F | 90.5 | Very high | 91 | Very high | 136 Ų | 136 | 104.3 Ų | 104.3 | 60% | 0.596 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -56.8 | -41.5 | 173.7 | -95.8 | -65.4 | 0 | 0 | 0 | 112.6 | V407 E414 M415 | V407-F411 HydrophobicContact CG1-CD2 3.74Å; V407-F411 HydrophobicContact CG1-CE2 3.95Å; V407-F411 WeakPolarHBondContact O-CB 3.47Å; V407-F411 WeakPolarHBondContact O-CD2 3.35Å; V407-F411 PolarHBondContact O-N 3.18Å; F411-E414 PolarHBondContact O-N 2.87Å; F411-M415 WeakPolarHBondContact O-CB 3.27Å; F411-M415 PolarHBondContact O-N 2.98Å |
| 412 | K | 91.8 | Very high | 90.7 | Very high | 137 Ų | 137 | 102.5 Ų | 102.5 | 60% | 0.596 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.3 | -46.6 | 174.6 | -178.4 | -177.6 | 173.5 | -174.7 | 0 | 111.4 | F408 T409 T410 E414 M415 E416 | F408-K412 VanDerWaalsContact O-CB 3.31Å; F408-K412 WeakPolarHBondContact O-CB 3.33Å; F408-K412 PolarHBondContact O-N 3.39Å; T409-K412 PolarHBondContact O-N 3.34Å; T410-K412 VanDerWaalsContact C-N 3.3Å; T410-K412 PolarHBondContact O-N 3.14Å; K412-E414 VanDerWaalsContact C-N 3.32Å; K412-E414 PolarHBondContact O-N 2.85Å; K412-M415 PolarHBondContact O-N 3.16Å; K412-E416 WeakPolarHBondContact O-CB 3.36Å; K412-E416 WeakPolarHBondContact O-CG 3.42Å; K412-E416 PolarHBondContact O-N 2.95Å |
| 413 | Q | 91.5 | Very high | 90.6 | Very high | 99 Ų | 99 | 105 Ų | 105 | 46% | 0.463 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.1 | -38.4 | 176.6 | -70.5 | 178.1 | 28.7 | 0 | 0 | 112.2 | T409 T410 K417 | T409-Q413 WeakPolarHBondContact O-CG 3.11Å; T409-Q413 PolarHBondContact O-N 3.3Å; T410-Q413 WeakPolarHBondContact O-CB 3.45Å; T410-Q413 PolarHBondContact O-N 3.11Å; T410-Q413 VanDerWaalsContact O-N 3.08Å; Q413-K417 WeakPolarHBondContact O-CB 3.4Å; Q413-K417 WeakPolarHBondContact O-CG 3.33Å; Q413-K417 PolarHBondContact O-N 2.98Å |
| 414 | E | 88.1 | Confident | 90.4 | Very high | 115 Ų | 115 | 104.8 Ų | 104.8 | 54% | 0.537 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.4 | -42.3 | 175.6 | -68.7 | -157.2 | 149.2 | 0 | 0 | 112.6 | T410 F411 K412 E416 K417 M418 | T410-E414 WeakPolarHBondContact O-CG 3.44Å; T410-E414 PolarHBondContact O-N 2.8Å; F411-E414 PolarHBondContact O-N 2.87Å; K412-E414 VanDerWaalsContact C-N 3.32Å; K412-E414 PolarHBondContact O-N 2.85Å; E414-E416 VanDerWaalsContact C-N 3.29Å; E414-E416 PolarHBondContact O-N 3.23Å; E414-K417 PolarHBondContact O-N 3.4Å; E414-M418 VanDerWaalsContact O-CB 3.32Å; E414-M418 WeakPolarHBondContact O-CB 3.46Å; E414-M418 PolarHBondContact O-N 3.43Å |
| 415 | M | 89.5 | Confident | 90.2 | Very high | 125 Ų | 125 | 106.7 Ų | 106.7 | 62% | 0.616 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.4 | -36.7 | 174.6 | -158 | -163.5 | 87.2 | 0 | 0 | 111.2 | F411 K412 T419 | F411-M415 WeakPolarHBondContact O-CB 3.27Å; F411-M415 PolarHBondContact O-N 2.98Å; K412-M415 PolarHBondContact O-N 3.16Å; M415-T419 VanDerWaalsContact O-CB 3.28Å; M415-T419 WeakPolarHBondContact O-CB 3.23Å; M415-T419 PolarHBondContact O-N 3.16Å; M415-T419 PolarHBondContact O-OG1 3.08Å |
| 416 | E | 91.3 | Very high | 90 | Very high | 77 Ų | 77 | 108.6 Ų | 108.6 | 36% | 0.36 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.4 | -45.5 | 170.8 | -81.7 | -170.1 | -142 | 0 | 0 | 112.6 | K412 E414 M418 T419 K420 | K412-E416 WeakPolarHBondContact O-CB 3.36Å; K412-E416 WeakPolarHBondContact O-CG 3.42Å; K412-E416 PolarHBondContact O-N 2.95Å; E414-E416 VanDerWaalsContact C-N 3.29Å; E414-E416 PolarHBondContact O-N 3.23Å; E416-M418 VanDerWaalsContact C-N 3.31Å; E416-M418 PolarHBondContact O-N 3.43Å; E416-T419 PolarHBondContact O-N 3.03Å; E416-K420 WeakPolarHBondContact O-CB 3.38Å; E416-K420 VanDerWaalsContact O-CD 3.31Å; E416-K420 WeakPolarHBondContact O-CD 3.27Å; E416-K420 WeakPolarHBondContact O-CG 3.42Å; E416-K420 PolarHBondContact O-N 3.21Å; E416-K420 IonicContact OE2-NZ 2.57Å; E416-K420 PolarHBondContact OE2-NZ 3.34Å |
| 417 | K | 91.4 | Very high | 89.9 | Confident | 126 Ų | 126 | 110 Ų | 110 | 55% | 0.548 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.5 | -43.3 | 174.6 | -73 | 163.4 | -171.1 | 168.6 | 0 | 110.7 | Q413 E414 K420 K421 | Q413-K417 WeakPolarHBondContact O-CB 3.4Å; Q413-K417 WeakPolarHBondContact O-CG 3.33Å; Q413-K417 PolarHBondContact O-N 2.98Å; E414-K417 PolarHBondContact O-N 3.4Å; K417-K420 PolarHBondContact O-N 3.11Å; K417-K421 WeakPolarHBondContact O-CB 3.46Å; K417-K421 PolarHBondContact O-N 3.12Å |
| 418 | M | 90.7 | Very high | 89.6 | Confident | 122 Ų | 122 | 109.2 Ų | 109.2 | 60% | 0.601 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.6 | -44.4 | 177.2 | -169.1 | -178.5 | -65.6 | 0 | 0 | 111.2 | E414 E416 K420 K421 I422 | E414-M418 VanDerWaalsContact O-CB 3.32Å; E414-M418 WeakPolarHBondContact O-CB 3.46Å; E414-M418 PolarHBondContact O-N 3.43Å; E416-M418 VanDerWaalsContact C-N 3.31Å; E416-M418 PolarHBondContact O-N 3.43Å; M418-K420 VanDerWaalsContact C-N 3.33Å; M418-K420 PolarHBondContact O-N 3Å; M418-K421 CarbonylContact O-C 3.56Å; M418-K421 WeakPolarHBondContact O-CA 3.38Å; M418-K421 WeakPolarHBondContact O-CB 3.31Å; M418-K421 PolarHBondContact O-N 2.84Å; M418-K421 VanDerWaalsContact O-N 3.09Å; M418-I422 HydrophobicContact CG-CD1 4.17Å; M418-I422 WeakPolarHBondContact O-CG1 3.36Å; M418-I422 PolarHBondContact O-N 3.21Å |
| 419 | T | 90.2 | Very high | 89.5 | Confident | 53 Ų | 53 | 105.7 Ų | 105.7 | 33% | 0.325 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.1 | -41.1 | 174.6 | -59.2 | 0 | 0 | 0 | 0 | 111.5 | M415 E416 K421 I422 K423 | M415-T419 VanDerWaalsContact O-CB 3.28Å; M415-T419 WeakPolarHBondContact O-CB 3.23Å; M415-T419 PolarHBondContact O-N 3.16Å; M415-T419 PolarHBondContact O-OG1 3.08Å; E416-T419 PolarHBondContact O-N 3.03Å; T419-K421 VanDerWaalsContact C-N 3.34Å; T419-I422 PolarHBondContact O-N 2.84Å; T419-K423 HydrophobicContact CG2-CD 4.41Å; T419-K423 WeakPolarHBondContact O-CB 3.37Å; T419-K423 WeakPolarHBondContact O-CG 3.46Å; T419-K423 PolarHBondContact O-N 3.15Å |
| 420 | K | 92.4 | Very high | 89.1 | Confident | 127 Ų | 127 | 105.8 Ų | 105.8 | 55% | 0.552 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.2 | -37.5 | 174 | -69.6 | 158.3 | -167.2 | 163.5 | 0 | 111.2 | E416 K417 M418 K424 | E416-K420 WeakPolarHBondContact O-CB 3.38Å; E416-K420 VanDerWaalsContact O-CD 3.31Å; E416-K420 WeakPolarHBondContact O-CD 3.27Å; E416-K420 WeakPolarHBondContact O-CG 3.42Å; E416-K420 PolarHBondContact O-N 3.21Å; E416-K420 IonicContact OE2-NZ 2.57Å; E416-K420 PolarHBondContact OE2-NZ 3.34Å; K417-K420 PolarHBondContact O-N 3.11Å; M418-K420 VanDerWaalsContact C-N 3.33Å; M418-K420 PolarHBondContact O-N 3Å; K420-K424 PolarHBondContact O-N 2.92Å; K420-K424 VanDerWaalsContact O-N 3.11Å |
| 421 | K | 90.1 | Very high | 89.2 | Confident | 143 Ų | 143 | 106.5 Ų | 106.5 | 62% | 0.622 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -70.1 | -41.5 | 175.2 | -168.7 | 174.8 | -179.3 | -179.8 | 0 | 112.8 | K417 M418 T419 K424 L425 | K417-K421 WeakPolarHBondContact O-CB 3.46Å; K417-K421 PolarHBondContact O-N 3.12Å; M418-K421 CarbonylContact O-C 3.56Å; M418-K421 WeakPolarHBondContact O-CA 3.38Å; M418-K421 WeakPolarHBondContact O-CB 3.31Å; M418-K421 PolarHBondContact O-N 2.84Å; M418-K421 VanDerWaalsContact O-N 3.09Å; T419-K421 VanDerWaalsContact C-N 3.34Å; K421-K424 WeakPolarHBondContact O-CB 3.22Å; K421-K424 PolarHBondContact O-N 3.06Å; K421-L425 HydrophobicContact CG-CD1 4.38Å; K421-L425 WeakPolarHBondContact O-CG 3.43Å; K421-L425 PolarHBondContact O-N 3.34Å |
| 422 | I | 86.9 | Confident | 89 | Confident | 81 Ų | 81 | 107.1 Ų | 107.1 | 42% | 0.415 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.4 | -52.3 | 172.5 | -69.9 | 164.9 | 0 | 0 | 0 | 109.4 | M418 T419 K424 L425 E426 | M418-I422 HydrophobicContact CG-CD1 4.17Å; M418-I422 WeakPolarHBondContact O-CG1 3.36Å; M418-I422 PolarHBondContact O-N 3.21Å; T419-I422 PolarHBondContact O-N 2.84Å; I422-K424 PolarHBondContact O-N 3.14Å; I422-K424 VanDerWaalsContact O-N 3.12Å; I422-L425 CarbonylContact O-C 3.56Å; I422-L425 PolarHBondContact O-N 2.91Å; I422-E426 HydrophobicContact CG2-CG 4.2Å; I422-E426 WeakPolarHBondContact O-CG 3.47Å; I422-E426 PolarHBondContact O-N 3.49Å |
| 423 | K | 90.1 | Very high | 88.8 | Confident | 125 Ų | 125 | 106.6 Ų | 106.6 | 54% | 0.543 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.6 | -23.8 | 176.9 | -71.8 | 179.7 | 178.3 | -176.4 | 0 | 114.6 | T419 E426 K427 | T419-K423 HydrophobicContact CG2-CD 4.41Å; T419-K423 WeakPolarHBondContact O-CB 3.37Å; T419-K423 WeakPolarHBondContact O-CG 3.46Å; T419-K423 PolarHBondContact O-N 3.15Å; K423-E426 WeakPolarHBondContact CA-OE2 3.43Å; K423-K427 WeakPolarHBondContact O-CG 3.4Å; K423-K427 PolarHBondContact O-N 3.31Å |
| 424 | K | 89 | Confident | 88.4 | Confident | 124 Ų | 124 | 105.1 Ų | 105.1 | 54% | 0.539 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -75.3 | -47.9 | 170.6 | -173.1 | 174.5 | -175.8 | -74 | 0 | 111.1 | K420 K421 I422 E426 K427 E428 | K420-K424 PolarHBondContact O-N 2.92Å; K420-K424 VanDerWaalsContact O-N 3.11Å; K421-K424 WeakPolarHBondContact O-CB 3.22Å; K421-K424 PolarHBondContact O-N 3.06Å; I422-K424 PolarHBondContact O-N 3.14Å; I422-K424 VanDerWaalsContact O-N 3.12Å; K424-E426 VanDerWaalsContact C-N 3.34Å; K424-E426 PolarHBondContact O-N 3.38Å; K424-K427 PolarHBondContact O-N 3.49Å; K424-E428 WeakPolarHBondContact CE-OE1 3.41Å; K424-E428 IonicContact NZ-OE1 2.56Å; K424-E428 PolarHBondContact NZ-OE1 2.94Å; K424-E428 IonicContact NZ-OE2 3.67Å; K424-E428 WeakPolarHBondContact O-CG 3.32Å; K424-E428 PolarHBondContact O-N 3.47Å |
| 425 | L | 85.9 | Confident | 88.3 | Confident | 89 Ų | 89 | 107.7 Ų | 107.7 | 47% | 0.466 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.9 | -35.1 | 177.2 | -68.7 | 168.4 | 0 | 0 | 0 | 112.6 | K421 I422 E428 T429 | K421-L425 HydrophobicContact CG-CD1 4.38Å; K421-L425 WeakPolarHBondContact O-CG 3.43Å; K421-L425 PolarHBondContact O-N 3.34Å; I422-L425 CarbonylContact O-C 3.56Å; I422-L425 PolarHBondContact O-N 2.91Å; L425-E428 PolarHBondContact O-N 3.29Å; L425-T429 VanDerWaalsContact O-CB 3.26Å; L425-T429 WeakPolarHBondContact O-CB 3.31Å; L425-T429 PolarHBondContact O-N 2.86Å; L425-T429 PolarHBondContact O-OG1 3.35Å |
| 426 | E | 86.2 | Confident | 88.2 | Confident | 109 Ų | 109 | 109.4 Ų | 109.4 | 51% | 0.509 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 173.6 | -71.9 | 171.4 | 152.9 | 0 | 0 | 112.1 | I422 K423 K424 T429 T430 | I422-E426 HydrophobicContact CG2-CG 4.2Å; I422-E426 WeakPolarHBondContact O-CG 3.47Å; I422-E426 PolarHBondContact O-N 3.49Å; K423-E426 WeakPolarHBondContact CA-OE2 3.43Å; K424-E426 VanDerWaalsContact C-N 3.34Å; K424-E426 PolarHBondContact O-N 3.38Å; E426-T429 PolarHBondContact O-N 2.95Å; E426-T430 PolarHBondContact O-N 2.87Å; E426-T430 PolarHBondContact O-OG1 3.2Å |
| 427 | K | 89.2 | Confident | 88 | Confident | 158 Ų | 158 | 110.4 Ų | 110.4 | 69% | 0.687 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67 | -41.7 | 174.5 | -75.6 | 179.9 | 177.3 | -170.4 | 0 | 112.2 | K423 K424 T430 M431 | K423-K427 WeakPolarHBondContact O-CG 3.4Å; K423-K427 PolarHBondContact O-N 3.31Å; K424-K427 PolarHBondContact O-N 3.49Å; K427-T430 WeakPolarHBondContact CA-OG1 3.26Å; K427-T430 PolarHBondContact O-N 2.92Å; K427-T430 PolarHBondContact O-OG1 3.38Å; K427-T430 VanDerWaalsContact O-OG1 3.11Å; K427-M431 VanDerWaalsContact O-CB 3.31Å; K427-M431 WeakPolarHBondContact O-CB 3.39Å; K427-M431 PolarHBondContact O-N 3.32Å |
| 428 | E | 86.4 | Confident | 87.7 | Confident | 60 Ų | 60 | 108.2 Ų | 108.2 | 28% | 0.28 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64 | -43.3 | 174.6 | -74 | 165.6 | 179.4 | 0 | 0 | 110.6 | K424 L425 T430 M431 Y432 | K424-E428 WeakPolarHBondContact CE-OE1 3.41Å; K424-E428 IonicContact NZ-OE1 2.56Å; K424-E428 PolarHBondContact NZ-OE1 2.94Å; K424-E428 IonicContact NZ-OE2 3.67Å; K424-E428 WeakPolarHBondContact O-CG 3.32Å; K424-E428 PolarHBondContact O-N 3.47Å; L425-E428 PolarHBondContact O-N 3.29Å; E428-T430 PolarHBondContact O-N 3.3Å; E428-M431 PolarHBondContact O-N 2.99Å; E428-Y432 HydrophobicContact CB-CE2 4.42Å; E428-Y432 WeakPolarHBondContact O-CD2 3.46Å; E428-Y432 PolarHBondContact O-N 3.05Å |
| 429 | T | 87.1 | Confident | 87.3 | Confident | 77 Ų | 77 | 106.1 Ų | 106.1 | 47% | 0.472 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.3 | -43.1 | 176.7 | -58.1 | 0 | 0 | 0 | 0 | 112.2 | L425 E426 R433 | L425-T429 VanDerWaalsContact O-CB 3.26Å; L425-T429 WeakPolarHBondContact O-CB 3.31Å; L425-T429 PolarHBondContact O-N 2.86Å; L425-T429 PolarHBondContact O-OG1 3.35Å; E426-T429 PolarHBondContact O-N 2.95Å; T429-R433 WeakPolarHBondContact O-CB 3.36Å; T429-R433 PolarHBondContact O-N 3.13Å |
| 430 | T | 84.4 | Confident | 87 | Confident | 71 Ų | 71 | 106.8 Ų | 106.8 | 44% | 0.436 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.8 | -37.7 | 175.4 | 33.7 | 0 | 0 | 0 | 0 | 112.3 | E426 K427 E428 R433 S434 | E426-T430 PolarHBondContact O-N 2.87Å; E426-T430 PolarHBondContact O-OG1 3.2Å; K427-T430 WeakPolarHBondContact CA-OG1 3.26Å; K427-T430 PolarHBondContact O-N 2.92Å; K427-T430 PolarHBondContact O-OG1 3.38Å; K427-T430 VanDerWaalsContact O-OG1 3.11Å; E428-T430 PolarHBondContact O-N 3.3Å; T430-R433 PolarHBondContact O-N 3.29Å; T430-S434 WeakPolarHBondContact O-CB 3.48Å; T430-S434 PolarHBondContact O-N 2.96Å |
| 431 | M | 89.8 | Confident | 86.9 | Confident | 83 Ų | 83 | 106.4 Ų | 106.4 | 41% | 0.409 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.1 | -42.3 | 174.1 | 179.6 | -99.4 | -68.7 | 0 | 0 | 112.6 | K427 E428 R435 | K427-M431 VanDerWaalsContact O-CB 3.31Å; K427-M431 WeakPolarHBondContact O-CB 3.39Å; K427-M431 PolarHBondContact O-N 3.32Å; E428-M431 PolarHBondContact O-N 2.99Å; M431-R435 WeakPolarHBondContact O-CB 3.49Å; M431-R435 PolarHBondContact O-N 2.99Å |
| 432 | Y | 87.4 | Confident | 86.5 | Confident | 148 Ų | 148 | 101.9 Ų | 101.9 | 58% | 0.58 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.4 | -40.2 | 173.1 | -77.2 | -61.7 | 0 | 0 | 0 | 112.3 | E428 R435 W436 | E428-Y432 HydrophobicContact CB-CE2 4.42Å; E428-Y432 WeakPolarHBondContact O-CD2 3.46Å; E428-Y432 PolarHBondContact O-N 3.05Å; Y432-R435 PolarHBondContact O-N 3.38Å; Y432-W436 WeakPolarHBondContact O-CB 3.44Å; Y432-W436 PolarHBondContact O-N 2.87Å |
| 433 | R | 86.9 | Confident | 86.4 | Confident | 126 Ų | 126 | 103.3 Ų | 103.3 | 48% | 0.475 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.8 | -46.8 | 177 | -157.7 | -169.1 | -57.1 | 132.5 | 3 | 111.7 | T429 T430 R435 W436 E437 | T429-R433 WeakPolarHBondContact O-CB 3.36Å; T429-R433 PolarHBondContact O-N 3.13Å; T430-R433 PolarHBondContact O-N 3.29Å; R433-R435 PolarHBondContact O-N 2.83Å; R433-W436 WeakPolarHBondContact O-CB 3.48Å; R433-W436 PolarHBondContact O-N 2.99Å; R433-W436 VanDerWaalsContact O-N 3.15Å; R433-E437 WeakPolarHBondContact CD-OE1 3.4Å; R433-E437 WeakPolarHBondContact CG-OE1 3.48Å; R433-E437 WeakPolarHBondContact O-CB 3.26Å; R433-E437 VanDerWaalsContact O-CG 3.31Å; R433-E437 WeakPolarHBondContact O-CG 3.47Å; R433-E437 PolarHBondContact O-N 3.11Å |
| 434 | S | 84.1 | Confident | 86 | Confident | 68 Ų | 68 | 102.1 Ų | 102.1 | 48% | 0.476 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.1 | -37.1 | 176.3 | -178.8 | 0 | 0 | 0 | 0 | 112.9 | T430 S438 | T430-S434 WeakPolarHBondContact O-CB 3.48Å; T430-S434 PolarHBondContact O-N 2.96Å; S434-S438 VanDerWaalsContact O-CB 3.32Å; S434-S438 WeakPolarHBondContact O-CB 3.43Å; S434-S438 PolarHBondContact O-N 3.33Å |
| 435 | R | 85.4 | Confident | 85.7 | Confident | 169 Ų | 169 | 100.5 Ų | 100.5 | 64% | 0.638 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.7 | -42.2 | 170.6 | -86.7 | -180 | 158.3 | 177.6 | -7.7 | 112.6 | M431 Y432 R433 S439 | M431-R435 WeakPolarHBondContact O-CB 3.49Å; M431-R435 PolarHBondContact O-N 2.99Å; Y432-R435 PolarHBondContact O-N 3.38Å; R433-R435 PolarHBondContact O-N 2.83Å; R435-S439 WeakPolarHBondContact O-CB 3.49Å; R435-S439 PolarHBondContact O-N 3.19Å |
| 436 | W | 87.8 | Confident | 85.3 | Confident | 162 Ų | 162 | 102.8 Ų | 102.8 | 61% | 0.614 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.1 | -46.1 | 176.7 | 174.5 | 82.6 | 0 | 0 | 0 | 111.5 | Y432 R433 S438 S439 N440 | Y432-W436 WeakPolarHBondContact O-CB 3.44Å; Y432-W436 PolarHBondContact O-N 2.87Å; R433-W436 WeakPolarHBondContact O-CB 3.48Å; R433-W436 PolarHBondContact O-N 2.99Å; R433-W436 VanDerWaalsContact O-N 3.15Å; W436-S438 VanDerWaalsContact C-N 3.35Å; W436-S438 PolarHBondContact O-N 2.95Å; W436-S439 PolarHBondContact O-N 3.38Å; W436-N440 VanDerWaalsContact O-CB 3.29Å; W436-N440 WeakPolarHBondContact O-CB 3.21Å; W436-N440 PolarHBondContact O-N 2.79Å |
| 437 | E | 87.3 | Confident | 84.9 | Confident | 98 Ų | 98 | 99.9 Ų | 99.9 | 46% | 0.458 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -55.7 | -46.8 | 174.2 | -72.9 | 158.4 | -169 | 0 | 0 | 111.6 | R433 N440 K441 | R433-E437 WeakPolarHBondContact CD-OE1 3.4Å; R433-E437 WeakPolarHBondContact CG-OE1 3.48Å; R433-E437 WeakPolarHBondContact O-CB 3.26Å; R433-E437 VanDerWaalsContact O-CG 3.31Å; R433-E437 WeakPolarHBondContact O-CG 3.47Å; R433-E437 PolarHBondContact O-N 3.11Å; E437-N440 PolarHBondContact O-N 3.32Å; E437-K441 WeakPolarHBondContact O-CB 3.43Å; E437-K441 PolarHBondContact O-N 3.42Å |
| 438 | S | 83.6 | Confident | 84.5 | Confident | 79 Ų | 79 | 98.7 Ų | 98.7 | 55% | 0.552 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.8 | -43 | 178.1 | -173.9 | 0 | 0 | 0 | 0 | 112.9 | S434 W436 K441 A442 | S434-S438 VanDerWaalsContact O-CB 3.32Å; S434-S438 WeakPolarHBondContact O-CB 3.43Å; S434-S438 PolarHBondContact O-N 3.33Å; W436-S438 VanDerWaalsContact C-N 3.35Å; W436-S438 PolarHBondContact O-N 2.95Å; S438-K441 PolarHBondContact O-N 2.81Å; S438-A442 PolarHBondContact O-N 3.22Å |
| 439 | S | 82.6 | Confident | 84.2 | Confident | 78 Ų | 78 | 102.5 Ų | 102.5 | 55% | 0.545 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64 | -42.3 | 175.6 | -168.2 | 0 | 0 | 0 | 0 | 111.8 | R435 W436 K441 A442 L443 | R435-S439 WeakPolarHBondContact O-CB 3.49Å; R435-S439 PolarHBondContact O-N 3.19Å; W436-S439 PolarHBondContact O-N 3.38Å; S439-K441 VanDerWaalsContact C-N 3.34Å; S439-K441 PolarHBondContact O-N 2.93Å; S439-A442 PolarHBondContact O-N 3.27Å; S439-L443 WeakPolarHBondContact O-CB 3.32Å; S439-L443 PolarHBondContact O-N 3.43Å |
| 440 | N | 85.4 | Confident | 84 | Confident | 67 Ų | 67 | 104.7 Ų | 104.7 | 36% | 0.358 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.4 | -34.2 | 178.3 | -161.4 | 47.9 | 0 | 0 | 0 | 111.9 | W436 E437 L443 L444 | W436-N440 VanDerWaalsContact O-CB 3.29Å; W436-N440 WeakPolarHBondContact O-CB 3.21Å; W436-N440 PolarHBondContact O-N 2.79Å; E437-N440 PolarHBondContact O-N 3.32Å; N440-L443 PolarHBondContact O-N 2.89Å; N440-L444 WeakPolarHBondContact O-CG 3.28Å; N440-L444 PolarHBondContact O-N 2.91Å |
| 441 | K | 88.4 | Confident | 83.7 | Confident | 120 Ų | 120 | 104.5 Ų | 104.5 | 52% | 0.522 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.7 | -47.7 | 172.1 | -176.2 | 174.6 | -177.4 | -70.7 | 0 | 112.1 | E437 S438 S439 L443 L444 E445 | E437-K441 WeakPolarHBondContact O-CB 3.43Å; E437-K441 PolarHBondContact O-N 3.42Å; S438-K441 PolarHBondContact O-N 2.81Å; S439-K441 VanDerWaalsContact C-N 3.34Å; S439-K441 PolarHBondContact O-N 2.93Å; K441-L443 VanDerWaalsContact C-N 3.25Å; K441-L443 PolarHBondContact O-N 3.47Å; K441-L444 WeakPolarHBondContact O-CB 3.42Å; K441-L444 PolarHBondContact O-N 2.87Å; K441-L444 VanDerWaalsContact O-N 3.17Å; K441-E445 IonicContact NZ-OE1 2.6Å; K441-E445 PolarHBondContact NZ-OE1 3.37Å; K441-E445 IonicContact NZ-OE2 2.66Å; K441-E445 WeakPolarHBondContact O-CG 3.47Å; K441-E445 PolarHBondContact O-N 3.41Å |
| 442 | A | 83 | Confident | 83.3 | Confident | 47 Ų | 47 | 104.3 Ų | 104.3 | 39% | 0.388 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62 | -34.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S438 S439 E445 M446 | S438-A442 PolarHBondContact O-N 3.22Å; S439-A442 PolarHBondContact O-N 3.27Å; A442-E445 PolarHBondContact O-N 2.9Å; A442-M446 WeakPolarHBondContact O-CG 3.49Å; A442-M446 PolarHBondContact O-N 3.4Å |
| 443 | L | 83.8 | Confident | 82.8 | Confident | 111 Ų | 111 | 105.3 Ų | 105.3 | 58% | 0.581 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -69.8 | -33.2 | 176.2 | -167.5 | 146 | 0 | 0 | 0 | 112.6 | S439 N440 K441 A447 | S439-L443 WeakPolarHBondContact O-CB 3.32Å; S439-L443 PolarHBondContact O-N 3.43Å; N440-L443 PolarHBondContact O-N 2.89Å; K441-L443 VanDerWaalsContact C-N 3.25Å; K441-L443 PolarHBondContact O-N 3.47Å; L443-A447 PolarHBondContact O-N 2.98Å; L443-A447 VanDerWaalsContact O-N 3.15Å |
| 444 | L | 82.9 | Confident | 82.4 | Confident | 100 Ų | 100 | 102.4 Ų | 102.4 | 52% | 0.524 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68 | -44.4 | 169.6 | -75.3 | 166 | 0 | 0 | 0 | 111.8 | N440 K441 M446 A447 E448 | N440-L444 WeakPolarHBondContact O-CG 3.28Å; N440-L444 PolarHBondContact O-N 2.91Å; K441-L444 WeakPolarHBondContact O-CB 3.42Å; K441-L444 PolarHBondContact O-N 2.87Å; K441-L444 VanDerWaalsContact O-N 3.17Å; L444-M446 VanDerWaalsContact C-N 3.35Å; L444-M446 PolarHBondContact O-N 3.37Å; L444-A447 WeakPolarHBondContact O-CA 3.44Å; L444-A447 WeakPolarHBondContact O-CB 3.45Å; L444-A447 PolarHBondContact O-N 3.34Å; L444-E448 PolarHBondContact O-N 2.84Å |
| 445 | E | 82.7 | Confident | 82.1 | Confident | 90 Ų | 90 | 105.6 Ų | 105.6 | 42% | 0.421 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.8 | -43.6 | 177.2 | -71.5 | 168 | 164.7 | 0 | 0 | 111.4 | K441 A442 A447 E448 E449 | K441-E445 IonicContact NZ-OE1 2.6Å; K441-E445 PolarHBondContact NZ-OE1 3.37Å; K441-E445 IonicContact NZ-OE2 2.66Å; K441-E445 WeakPolarHBondContact O-CG 3.47Å; K441-E445 PolarHBondContact O-N 3.41Å; A442-E445 PolarHBondContact O-N 2.9Å; E445-A447 VanDerWaalsContact C-N 3.31Å; E445-A447 PolarHBondContact O-N 3.3Å; E445-E448 PolarHBondContact O-N 2.86Å; E445-E449 PolarHBondContact O-N 2.84Å |
| 446 | M | 77.8 | Confident | 81.7 | Confident | 138 Ų | 138 | 102.8 Ų | 102.8 | 68% | 0.68 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.8 | -33.4 | 172.1 | -74.5 | -172.5 | 69.7 | 0 | 0 | 113.6 | A442 L444 K450 | A442-M446 WeakPolarHBondContact O-CG 3.49Å; A442-M446 PolarHBondContact O-N 3.4Å; L444-M446 VanDerWaalsContact C-N 3.35Å; L444-M446 PolarHBondContact O-N 3.37Å; M446-K450 PolarHBondContact O-N 3.03Å; M446-K450 VanDerWaalsContact O-N 3.15Å |
| 447 | A | 77.4 | Confident | 81.1 | Confident | 48 Ų | 48 | 100.1 Ų | 100.1 | 40% | 0.397 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.9 | -40.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L443 L444 E445 K450 T451 | L443-A447 PolarHBondContact O-N 2.98Å; L443-A447 VanDerWaalsContact O-N 3.15Å; L444-A447 WeakPolarHBondContact O-CA 3.44Å; L444-A447 WeakPolarHBondContact O-CB 3.45Å; L444-A447 PolarHBondContact O-N 3.34Å; E445-A447 VanDerWaalsContact C-N 3.31Å; E445-A447 PolarHBondContact O-N 3.3Å; A447-K450 WeakPolarHBondContact O-CB 3.37Å; A447-K450 PolarHBondContact O-N 3.31Å; A447-T451 WeakPolarHBondContact O-CG2 3.29Å; A447-T451 PolarHBondContact O-N 2.85Å; A447-T451 VanDerWaalsContact O-N 3.13Å |
| 448 | E | 81 | Confident | 80.7 | Confident | 132 Ų | 132 | 101.7 Ų | 101.7 | 62% | 0.617 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62 | -49.5 | 174.8 | -70.7 | -178.3 | 174.7 | 0 | 0 | 111.2 | L444 E445 K450 T451 V452 | L444-E448 PolarHBondContact O-N 2.84Å; E445-E448 PolarHBondContact O-N 2.86Å; E448-K450 VanDerWaalsContact C-N 3.27Å; E448-K450 PolarHBondContact O-N 3.43Å; E448-T451 PolarHBondContact O-N 3.47Å; E448-T451 PolarHBondContact O-OG1 3.44Å; E448-V452 PolarHBondContact O-N 3.35Å; E448-V452 VanDerWaalsContact O-N 3.13Å |
| 449 | E | 80 | Confident | 80.3 | Confident | 141 Ų | 141 | 99.6 Ų | 99.6 | 66% | 0.659 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -53.7 | -41.9 | 174.6 | -75.5 | -167.9 | 164.5 | 0 | 0 | 112.6 | E445 V452 R453 | E445-E449 PolarHBondContact O-N 2.84Å; E449-V452 PolarHBondContact O-N 3.29Å; E449-R453 PolarHBondContact O-N 2.79Å; E449-R453 VanDerWaalsContact O-N 3.08Å |
| 450 | K | 82.1 | Confident | 79.9 | Confident | 123 Ų | 123 | 100.3 Ų | 100.3 | 54% | 0.535 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.5 | -46.2 | 175.7 | -168.5 | -160.1 | 175.7 | -56.2 | 0 | 111.4 | M446 A447 E448 V452 R453 D454 | M446-K450 PolarHBondContact O-N 3.03Å; M446-K450 VanDerWaalsContact O-N 3.15Å; A447-K450 WeakPolarHBondContact O-CB 3.37Å; A447-K450 PolarHBondContact O-N 3.31Å; E448-K450 VanDerWaalsContact C-N 3.27Å; E448-K450 PolarHBondContact O-N 3.43Å; K450-V452 PolarHBondContact O-N 2.78Å; K450-R453 PolarHBondContact O-N 2.89Å; K450-D454 IonicContact NZ-OD1 3.98Å; K450-D454 PolarHBondContact NZ-OD1 3.38Å; K450-D454 IonicContact NZ-OD2 3.84Å; K450-D454 PolarHBondContact NZ-OD2 2.95Å; K450-D454 VanDerWaalsContact O-CG 3.25Å; K450-D454 PolarHBondContact O-N 2.93Å |
| 451 | T | 79 | Confident | 79.3 | Confident | 67 Ų | 67 | 103 Ų | 103 | 41% | 0.411 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.1 | -21.2 | 179.9 | 69 | 0 | 0 | 0 | 0 | 113.9 | A447 E448 K455 | A447-T451 WeakPolarHBondContact O-CG2 3.29Å; A447-T451 PolarHBondContact O-N 2.85Å; A447-T451 VanDerWaalsContact O-N 3.13Å; E448-T451 PolarHBondContact O-N 3.47Å; E448-T451 PolarHBondContact O-OG1 3.44Å; T451-K455 VanDerWaalsContact O-CD 3.28Å; T451-K455 WeakPolarHBondContact O-CD 3.43Å; T451-K455 WeakPolarHBondContact O-CE 3.49Å; T451-K455 VanDerWaalsContact O-CG 3.32Å; T451-K455 WeakPolarHBondContact O-CG 3.17Å |
| 452 | V | 80.8 | Confident | 78.7 | Confident | 78 Ų | 78 | 101.5 Ų | 101.5 | 47% | 0.473 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -73.7 | -50.6 | 170.1 | 176.8 | 0 | 0 | 0 | 0 | 109.8 | E448 E449 K450 D454 K455 E456 | E448-V452 PolarHBondContact O-N 3.35Å; E448-V452 VanDerWaalsContact O-N 3.13Å; E449-V452 PolarHBondContact O-N 3.29Å; K450-V452 PolarHBondContact O-N 2.78Å; V452-D454 VanDerWaalsContact C-N 3.33Å; V452-D454 PolarHBondContact O-N 3.44Å; V452-K455 PolarHBondContact O-N 2.87Å; V452-K455 VanDerWaalsContact O-N 3.13Å; V452-E456 PolarHBondContact O-N 3.34Å; V452-E456 VanDerWaalsContact O-N 3.09Å |
| 453 | R | 76 | Confident | 78.3 | Confident | 169 Ų | 169 | 105.7 Ų | 105.7 | 64% | 0.638 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -56.8 | -41.3 | 177.8 | -77.2 | -74.7 | -171.8 | 72.2 | 6.1 | 113.6 | E449 K450 K455 E456 L457 | E449-R453 PolarHBondContact O-N 2.79Å; E449-R453 VanDerWaalsContact O-N 3.08Å; K450-R453 PolarHBondContact O-N 2.89Å; R453-K455 VanDerWaalsContact C-N 3.32Å; R453-K455 PolarHBondContact O-N 3.44Å; R453-E456 PolarHBondContact O-N 3.21Å; R453-L457 PolarHBondContact O-N 3.47Å; R453-L457 VanDerWaalsContact O-N 3.09Å |
| 454 | D | 79.4 | Confident | 77.8 | Confident | 66 Ų | 66 | 105 Ų | 105 | 35% | 0.353 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.5 | -40.4 | 178.7 | -64.3 | -30.8 | 0 | 0 | 0 | 111.2 | K450 V452 L457 E458 | K450-D454 IonicContact NZ-OD1 3.98Å; K450-D454 PolarHBondContact NZ-OD1 3.38Å; K450-D454 IonicContact NZ-OD2 3.84Å; K450-D454 PolarHBondContact NZ-OD2 2.95Å; K450-D454 VanDerWaalsContact O-CG 3.25Å; K450-D454 PolarHBondContact O-N 2.93Å; V452-D454 VanDerWaalsContact C-N 3.33Å; V452-D454 PolarHBondContact O-N 3.44Å; D454-L457 PolarHBondContact O-N 3.49Å; D454-E458 PolarHBondContact O-N 2.99Å; D454-E458 VanDerWaalsContact O-N 3.13Å |
| 455 | K | 78 | Confident | 77.3 | Confident | 134 Ų | 134 | 105.9 Ų | 105.9 | 58% | 0.583 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -69.9 | -36.3 | 177.4 | -67.8 | 166 | -172.6 | 161.3 | 0 | 112.8 | T451 V452 R453 L457 E458 G459 | T451-K455 VanDerWaalsContact O-CD 3.28Å; T451-K455 WeakPolarHBondContact O-CD 3.43Å; T451-K455 WeakPolarHBondContact O-CE 3.49Å; T451-K455 VanDerWaalsContact O-CG 3.32Å; T451-K455 WeakPolarHBondContact O-CG 3.17Å; V452-K455 PolarHBondContact O-N 2.87Å; V452-K455 VanDerWaalsContact O-N 3.13Å; R453-K455 VanDerWaalsContact C-N 3.32Å; R453-K455 PolarHBondContact O-N 3.44Å; K455-L457 VanDerWaalsContact C-N 3.32Å; K455-E458 PolarHBondContact O-N 3.33Å; K455-G459 PolarHBondContact O-N 3.17Å; K455-G459 VanDerWaalsContact O-N 3.07Å |
| 456 | E | 77 | Confident | 76.8 | Confident | 110 Ų | 110 | 111.2 Ų | 111.2 | 51% | 0.514 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.2 | -40 | 174.2 | -68.4 | -178.2 | 140.7 | 0 | 0 | 111.3 | V452 R453 G459 L460 | V452-E456 PolarHBondContact O-N 3.34Å; V452-E456 VanDerWaalsContact O-N 3.09Å; R453-E456 PolarHBondContact O-N 3.21Å; E456-G459 PolarHBondContact O-N 2.69Å; E456-L460 WeakPolarHBondContact O-CG 3.1Å; E456-L460 PolarHBondContact O-N 3.46Å; E456-L460 VanDerWaalsContact O-N 3.1Å |
| 457 | L | 75 | Confident | 76.4 | Confident | 107 Ų | 107 | 109.9 Ų | 109.9 | 56% | 0.56 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.1 | -44.8 | 175.9 | -76.1 | 168.1 | 0 | 0 | 0 | 112.5 | R453 D454 K455 G459 L460 Q461 | R453-L457 PolarHBondContact O-N 3.47Å; R453-L457 VanDerWaalsContact O-N 3.09Å; D454-L457 PolarHBondContact O-N 3.49Å; K455-L457 VanDerWaalsContact C-N 3.32Å; L457-G459 VanDerWaalsContact C-N 3.31Å; L457-G459 PolarHBondContact O-N 2.86Å; L457-L460 PolarHBondContact O-N 3.27Å; L457-L460 VanDerWaalsContact O-N 3.13Å; L457-Q461 PolarHBondContact O-N 2.92Å |
| 458 | E | 78.4 | Confident | 75.9 | Confident | 130 Ų | 130 | 112.2 Ų | 112.2 | 61% | 0.607 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -56.1 | -45.6 | 172.1 | -82.6 | -172.1 | 138 | 0 | 0 | 111.5 | D454 K455 L460 Q461 V462 | D454-E458 PolarHBondContact O-N 2.99Å; D454-E458 VanDerWaalsContact O-N 3.13Å; K455-E458 PolarHBondContact O-N 3.33Å; E458-L460 PolarHBondContact O-N 3.21Å; E458-Q461 PolarHBondContact O-N 2.93Å; E458-Q461 VanDerWaalsContact O-N 3.16Å; E458-V462 WeakPolarHBondContact O-CG2 3.25Å; E458-V462 PolarHBondContact O-N 3.1Å |
| 459 | G | 74.9 | Confident | 75.5 | Confident | 36 Ų | 36 | 113.3 Ų | 113.3 | 37% | 0.371 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.4 | -25.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | K455 E456 L457 K463 | K455-G459 PolarHBondContact O-N 3.17Å; K455-G459 VanDerWaalsContact O-N 3.07Å; E456-G459 PolarHBondContact O-N 2.69Å; L457-G459 VanDerWaalsContact C-N 3.31Å; L457-G459 PolarHBondContact O-N 2.86Å; G459-K463 WeakPolarHBondContact O-CG 3.48Å |
| 460 | L | 75.4 | Confident | 74.7 | Confident | 93 Ų | 93 | 111.7 Ų | 111.7 | 49% | 0.487 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -82.4 | -41.4 | 171.6 | -69.9 | 169.4 | 0 | 0 | 0 | 111.9 | E456 L457 E458 V462 K463 I464 | E456-L460 WeakPolarHBondContact O-CG 3.1Å; E456-L460 PolarHBondContact O-N 3.46Å; E456-L460 VanDerWaalsContact O-N 3.1Å; L457-L460 PolarHBondContact O-N 3.27Å; L457-L460 VanDerWaalsContact O-N 3.13Å; E458-L460 PolarHBondContact O-N 3.21Å; L460-V462 VanDerWaalsContact C-N 3.32Å; L460-V462 PolarHBondContact O-N 3.2Å; L460-K463 WeakPolarHBondContact O-CB 3.41Å; L460-K463 PolarHBondContact O-N 2.97Å; L460-I464 WeakPolarHBondContact O-CG1 3.45Å; L460-I464 PolarHBondContact O-N 3.27Å; L460-I464 VanDerWaalsContact O-N 3.08Å |
| 461 | Q | 73.2 | Confident | 73.9 | Confident | 123 Ų | 123 | 109.2 Ų | 109.2 | 58% | 0.575 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -58 | -42 | 177.2 | -109.2 | 176.5 | -8.9 | 0 | 0 | 112.4 | L457 E458 K463 I464 Q465 | L457-Q461 PolarHBondContact O-N 2.92Å; E458-Q461 PolarHBondContact O-N 2.93Å; E458-Q461 VanDerWaalsContact O-N 3.16Å; Q461-K463 VanDerWaalsContact C-N 3.29Å; Q461-K463 PolarHBondContact O-N 3.26Å; Q461-I464 PolarHBondContact O-N 2.96Å; Q461-Q465 PolarHBondContact O-N 3.07Å; Q461-Q465 VanDerWaalsContact O-N 3.07Å |
| 462 | V | 74.8 | Confident | 73.3 | Confident | 88 Ų | 88 | 113.3 Ų | 113.3 | 53% | 0.533 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.7 | -34.4 | 176 | 173.5 | 0 | 0 | 0 | 0 | 112.2 | E458 L460 R466 | E458-V462 WeakPolarHBondContact O-CG2 3.25Å; E458-V462 PolarHBondContact O-N 3.1Å; L460-V462 VanDerWaalsContact C-N 3.32Å; L460-V462 PolarHBondContact O-N 3.2Å; V462-R466 PolarHBondContact O-N 3.27Å |
| 463 | K | 73.9 | Confident | 72.3 | Confident | 135 Ų | 135 | 112.2 Ų | 112.2 | 59% | 0.587 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -69.5 | -41.8 | 175.9 | -68.4 | 170.2 | -175.7 | 171.8 | 0 | 111.5 | G459 L460 Q461 R466 L467 | G459-K463 WeakPolarHBondContact O-CG 3.48Å; L460-K463 WeakPolarHBondContact O-CB 3.41Å; L460-K463 PolarHBondContact O-N 2.97Å; Q461-K463 VanDerWaalsContact C-N 3.29Å; Q461-K463 PolarHBondContact O-N 3.26Å; K463-R466 WeakPolarHBondContact O-CB 3.42Å; K463-R466 PolarHBondContact O-N 3.48Å; K463-L467 PolarHBondContact O-N 2.96Å; K463-L467 VanDerWaalsContact O-N 3.14Å |
| 464 | I | 73.3 | Confident | 71.6 | Confident | 96 Ų | 96 | 109 Ų | 109 | 49% | 0.492 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.7 | -49.2 | 177.4 | -65.7 | 166.9 | 0 | 0 | 0 | 110.6 | L460 Q461 R466 L467 E468 | L460-I464 WeakPolarHBondContact O-CG1 3.45Å; L460-I464 PolarHBondContact O-N 3.27Å; L460-I464 VanDerWaalsContact O-N 3.08Å; Q461-I464 PolarHBondContact O-N 2.96Å; I464-R466 PolarHBondContact O-N 3.37Å; I464-L467 PolarHBondContact O-N 3.43Å; I464-L467 VanDerWaalsContact O-N 3.07Å; I464-E468 PolarHBondContact O-N 3.37Å |
| 465 | Q | 73.1 | Confident | 70.7 | Confident | 119 Ų | 119 | 111.8 Ų | 111.8 | 56% | 0.556 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -59.6 | -29.4 | 177.5 | -68.9 | -175.6 | 17.2 | 0 | 0 | 113.5 | Q461 K469 | Q461-Q465 PolarHBondContact O-N 3.07Å; Q461-Q465 VanDerWaalsContact O-N 3.07Å; Q465-K469 WeakPolarHBondContact O-CG 3.49Å; Q465-K469 PolarHBondContact O-N 3.42Å |
| 466 | R | 72.9 | Confident | 70 | Confident | 202 Ų | 202 | 109.5 Ų | 109.5 | 76% | 0.762 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -71.9 | -40.8 | 175.4 | -119.9 | 174.6 | 177.6 | 161 | -0.7 | 112 | V462 K463 I464 L470 | V462-R466 PolarHBondContact O-N 3.27Å; K463-R466 WeakPolarHBondContact O-CB 3.42Å; K463-R466 PolarHBondContact O-N 3.48Å; I464-R466 PolarHBondContact O-N 3.37Å; R466-L470 PolarHBondContact O-N 2.85Å |
| 467 | L | 68.5 | Low | 69.1 | Low | 110 Ų | 110 | 110.3 Ų | 110.3 | 58% | 0.576 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -68.9 | -42.8 | 177.1 | -71.1 | 165.7 | 0 | 0 | 0 | 111.9 | K463 I464 K469 L470 C471 | K463-L467 PolarHBondContact O-N 2.96Å; K463-L467 VanDerWaalsContact O-N 3.14Å; I464-L467 PolarHBondContact O-N 3.43Å; I464-L467 VanDerWaalsContact O-N 3.07Å; L467-K469 VanDerWaalsContact C-N 3.29Å; L467-K469 PolarHBondContact O-N 3.44Å; L467-L470 WeakPolarHBondContact O-CB 3.39Å; L467-L470 PolarHBondContact O-N 3.37Å; L467-L470 VanDerWaalsContact O-N 3.09Å; L467-C471 PolarHBondContact O-N 2.91Å; L467-C471 VanDerWaalsContact O-N 3.08Å |
| 468 | E | 67.8 | Low | 68.4 | Low | 97 Ų | 97 | 113.5 Ų | 113.5 | 45% | 0.453 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -57.2 | -41 | 177.2 | -75 | -160.3 | 177.4 | 0 | 0 | 113.2 | I464 L470 C471 R472 | I464-E468 PolarHBondContact O-N 3.37Å; E468-L470 VanDerWaalsContact C-N 3.29Å; E468-L470 PolarHBondContact O-N 2.92Å; E468-C471 PolarHBondContact O-N 3.32Å; E468-R472 WeakPolarHBondContact O-CG 3.41Å; E468-R472 PolarHBondContact O-N 2.69Å; E468-R472 IonicContact OE2-CZ 3.53Å; E468-R472 IonicContact OE2-NH2 2.82Å; E468-R472 PolarHBondContact OE2-NH2 3.13Å |
| 469 | K | 71.1 | Confident | 67.6 | Low | 156 Ų | 156 | 112 Ų | 112 | 68% | 0.678 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -64.8 | -35.2 | 178.6 | -74.6 | 178.5 | 178.7 | 178.8 | 0 | 111.9 | Q465 L467 A473 | Q465-K469 WeakPolarHBondContact O-CG 3.49Å; Q465-K469 PolarHBondContact O-N 3.42Å; L467-K469 VanDerWaalsContact C-N 3.29Å; L467-K469 PolarHBondContact O-N 3.44Å; K469-A473 PolarHBondContact O-N 3.41Å |
| 470 | L | 64.7 | Low | 66.8 | Low | 107 Ų | 107 | 115.6 Ų | 115.6 | 56% | 0.56 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -70.1 | -42.2 | 177.6 | -166.4 | 67.9 | 0 | 0 | 0 | 111.8 | R466 L467 E468 R472 A473 L474 | R466-L470 PolarHBondContact O-N 2.85Å; L467-L470 WeakPolarHBondContact O-CB 3.39Å; L467-L470 PolarHBondContact O-N 3.37Å; L467-L470 VanDerWaalsContact O-N 3.09Å; E468-L470 VanDerWaalsContact C-N 3.29Å; E468-L470 PolarHBondContact O-N 2.92Å; L470-R472 PolarHBondContact O-N 3.44Å; L470-A473 PolarHBondContact O-N 2.99Å; L470-L474 HydrophobicContact CG-CD1 4.39Å; L470-L474 PolarHBondContact O-N 3.27Å |
| 471 | C | 64.1 | Low | 66 | Low | 70 Ų | 70 | 117.1 Ų | 117.1 | 47% | 0.473 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.7 | -42 | 176.8 | -67.1 | 0 | 0 | 0 | 0 | 112.7 | L467 E468 A473 L474 Q475 | L467-C471 PolarHBondContact O-N 2.91Å; L467-C471 VanDerWaalsContact O-N 3.08Å; E468-C471 PolarHBondContact O-N 3.32Å; C471-A473 VanDerWaalsContact C-N 3.33Å; C471-A473 PolarHBondContact O-N 2.8Å; C471-L474 PolarHBondContact O-N 2.77Å; C471-Q475 WeakPolarHBondContact O-CB 3.43Å; C471-Q475 WeakPolarHBondContact O-CG 3.47Å; C471-Q475 PolarHBondContact O-N 2.73Å |
| 472 | R | 67.1 | Low | 65 | Low | 153 Ų | 153 | 115.3 Ų | 115.3 | 58% | 0.577 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.4 | -34.8 | 178.9 | -65.6 | 172.7 | -156.9 | -111.3 | 7.6 | 112.4 | E468 L470 T476 | E468-R472 WeakPolarHBondContact O-CG 3.41Å; E468-R472 PolarHBondContact O-N 2.69Å; E468-R472 IonicContact OE2-CZ 3.53Å; E468-R472 IonicContact OE2-NH2 2.82Å; E468-R472 PolarHBondContact OE2-NH2 3.13Å; L470-R472 PolarHBondContact O-N 3.44Å; R472-T476 PolarHBondContact O-N 3.03Å; R472-T476 PolarHBondContact O-OG1 3.5Å |
| 473 | A | 59.1 | Low | 64.1 | Low | 55 Ų | 55 | 119.2 Ų | 119.2 | 46% | 0.455 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.3 | -53 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | K469 L470 C471 Q475 T476 E477 | K469-A473 PolarHBondContact O-N 3.41Å; L470-A473 PolarHBondContact O-N 2.99Å; C471-A473 VanDerWaalsContact C-N 3.33Å; C471-A473 PolarHBondContact O-N 2.8Å; A473-Q475 VanDerWaalsContact C-N 3.29Å; A473-Q475 PolarHBondContact O-N 3.31Å; A473-T476 WeakPolarHBondContact O-CB 3.14Å; A473-T476 PolarHBondContact O-N 3.31Å; A473-E477 PolarHBondContact O-N 3.37Å |
| 474 | L | 61.4 | Low | 63.2 | Low | 102 Ų | 102 | 123.2 Ų | 123.2 | 53% | 0.534 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62.2 | -33.6 | -179.4 | -68.8 | 166.8 | 0 | 0 | 0 | 113.2 | L470 C471 T476 R478 | L470-L474 HydrophobicContact CG-CD1 4.39Å; L470-L474 PolarHBondContact O-N 3.27Å; C471-L474 PolarHBondContact O-N 2.77Å; L474-T476 VanDerWaalsContact C-N 3.25Å; L474-T476 PolarHBondContact O-N 3.47Å; L474-R478 WeakPolarHBondContact O-CB 3.42Å; L474-R478 PolarHBondContact O-N 3.46Å |
| 475 | Q | 60.6 | Low | 62.2 | Low | 125 Ų | 125 | 123.7 Ų | 123.7 | 58% | 0.584 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -70.1 | -20.5 | 174.2 | -75.8 | 175.5 | -32.5 | 0 | 0 | 113.4 | C471 A473 N479 | C471-Q475 WeakPolarHBondContact O-CB 3.43Å; C471-Q475 WeakPolarHBondContact O-CG 3.47Å; C471-Q475 PolarHBondContact O-N 2.73Å; A473-Q475 VanDerWaalsContact C-N 3.29Å; A473-Q475 PolarHBondContact O-N 3.31Å; Q475-N479 PolarHBondContact O-ND2 2.77Å |
| 476 | T | 62.7 | Low | 60.9 | Low | 86 Ų | 86 | 125.3 Ų | 125.3 | 53% | 0.528 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -77.2 | -52.1 | 177.9 | -52.9 | 0 | 0 | 0 | 0 | 110.5 | R472 A473 L474 R478 N479 D480 | R472-T476 PolarHBondContact O-N 3.03Å; R472-T476 PolarHBondContact O-OG1 3.5Å; A473-T476 WeakPolarHBondContact O-CB 3.14Å; A473-T476 PolarHBondContact O-N 3.31Å; L474-T476 VanDerWaalsContact C-N 3.25Å; L474-T476 PolarHBondContact O-N 3.47Å; T476-R478 PolarHBondContact O-N 3.24Å; T476-N479 PolarHBondContact O-N 2.96Å; T476-D480 PolarHBondContact O-N 3.17Å |
| 477 | E | 59 | Low | 59.5 | Low | 126 Ų | 126 | 122.7 Ų | 122.7 | 59% | 0.589 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -55.1 | -39.9 | 174.6 | -72.6 | -175.3 | 119.9 | 0 | 0 | 112.4 | A473 N479 D480 L481 | A473-E477 PolarHBondContact O-N 3.37Å; E477-N479 PolarHBondContact O-N 3.35Å; E477-D480 PolarHBondContact O-N 2.88Å; E477-D480 VanDerWaalsContact O-N 3.16Å; E477-L481 WeakPolarHBondContact O-CD1 3.43Å; E477-L481 PolarHBondContact O-N 3.46Å |
| 478 | R | 60.5 | Low | 58 | Low | 174 Ų | 174 | 125.3 Ų | 125.3 | 66% | 0.657 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -61.3 | -27.7 | 179.8 | -168.1 | -91.6 | -167.9 | 147.5 | 5.5 | 112.9 | L474 T476 | L474-R478 WeakPolarHBondContact O-CB 3.42Å; L474-R478 PolarHBondContact O-N 3.46Å; T476-R478 PolarHBondContact O-N 3.24Å |
| 479 | N | 60.8 | Low | 56.4 | Low | 98 Ų | 98 | 126.5 Ų | 126.5 | 52% | 0.524 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -82.3 | -34.8 | 176.8 | -68.4 | -21.6 | 0 | 0 | 0 | 112.2 | Q475 T476 E477 N482 K483 | Q475-N479 PolarHBondContact O-ND2 2.77Å; T476-N479 PolarHBondContact O-N 2.96Å; E477-N479 PolarHBondContact O-N 3.35Å; N479-N482 PolarHBondContact O-N 3.45Å; N479-K483 PolarHBondContact O-N 2.95Å |
| 480 | D | 59.3 | Low | 54.4 | Low | 113 Ų | 113 | 123.6 Ų | 123.6 | 60% | 0.604 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -66.3 | -35.4 | 177 | -77.6 | -29.6 | 0 | 0 | 0 | 112.9 | T476 E477 | T476-D480 PolarHBondContact O-N 3.17Å; E477-D480 PolarHBondContact O-N 2.88Å; E477-D480 VanDerWaalsContact O-N 3.16Å |
| 481 | L | 57.4 | Low | 52.5 | Low | 125 Ų | 125 | 122.6 Ų | 122.6 | 65% | 0.654 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -67.6 | -47.6 | 171.5 | -87.9 | 81.9 | 0 | 0 | 0 | 111.8 | E477 K483 R484 | E477-L481 WeakPolarHBondContact O-CD1 3.43Å; E477-L481 PolarHBondContact O-N 3.46Å; L481-K483 PolarHBondContact O-N 3.49Å; L481-R484 PolarHBondContact O-N 3.46Å; L481-R484 VanDerWaalsContact O-N 3.08Å |
| 482 | N | 53.6 | Low | 50.7 | Low | 84 Ų | 84 | 123.2 Ų | 123.2 | 45% | 0.449 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -65.1 | -29.6 | -169.9 | -146.6 | 30.3 | 0 | 0 | 0 | 112.4 | N479 R484 V485 | N479-N482 PolarHBondContact O-N 3.45Å; N482-R484 VanDerWaalsContact C-N 3.25Å; N482-R484 PolarHBondContact O-N 3.3Å; N482-V485 PolarHBondContact O-N 3.24Å |
| 483 | K | 55.5 | Low | 48.7 | Very low | 170 Ų | 170 | 125.7 Ų | 125.7 | 74% | 0.739 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -13 | 178.1 | -152.6 | 174.6 | -175.3 | -178.5 | 0 | 114.2 | N479 L481 | N479-K483 PolarHBondContact O-N 2.95Å; L481-K483 PolarHBondContact O-N 3.49Å |
| 484 | R | 54.2 | Low | 47.1 | Very low | 220 Ų | 220 | 126.3 Ų | 126.3 | 83% | 0.83 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -0.2 | 174 | -68.4 | -175 | 173.4 | -167.2 | -1.6 | 114.2 | L481 N482 | L481-R484 PolarHBondContact O-N 3.46Å; L481-R484 VanDerWaalsContact O-N 3.08Å; N482-R484 VanDerWaalsContact C-N 3.25Å; N482-R484 PolarHBondContact O-N 3.3Å |
| 485 | V | 52.4 | Low | 45.4 | Very low | 105 Ų | 105 | 127 Ų | 127 | 64% | 0.636 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.8 | -15.3 | -172.1 | -179.4 | 0 | 0 | 0 | 0 | 112.8 | N482 | N482-V485 PolarHBondContact O-N 3.24Š|
| 486 | Q | 46.8 | Very low | 44 | Very low | 154 Ų | 154 | 128.1 Ų | 128.1 | 72% | 0.72 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -89.8 | -5.7 | -173.4 | -69.4 | -169.5 | -35.2 | 0 | 0 | 115.7 | L488 | Q486-L488 PolarHBondContact O-N 2.94Å; Q486-L488 VanDerWaalsContact O-N 3.15Å |
| 487 | D | 43.8 | Very low | 42.3 | Very low | 147 Ų | 147 | 130.4 Ų | 130.4 | 79% | 0.786 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | 11.1 | -178.5 | -67 | -33.1 | 0 | 0 | 0 | 114.7 | ||
| 488 | L | 36.7 | Very low | 40.9 | Very low | 165 Ų | 165 | 131.1 Ų | 131.1 | 86% | 0.864 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138 | 12.2 | -166.1 | -90.8 | 175 | 0 | 0 | 0 | 117.9 | Q486 | Q486-L488 PolarHBondContact O-N 2.94Å; Q486-L488 VanDerWaalsContact O-N 3.15Å |
| 489 | S | 33.9 | Very low | 39.6 | Very low | 121 Ų | 121 | 127.7 Ų | 127.7 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | trans | -149.2 | 147.3 | 173 | -160.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 490 | A | 28.8 | Very low | 38.3 | Very low | 95 Ų | 95 | 126.4 Ų | 126.4 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | -131.7 | 140.2 | -167.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 491 | G | 25.3 | Very low | 38 | Very low | 87 Ų | 87 | 127.7 Ų | 127.7 | 90% | 0.897 | 77% | 0.774 | S | S | * | * | trans | 77.3 | 147.5 | 153.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 492 | G | 24.9 | Very low | 36.9 | Very low | 83 Ų | 83 | 128.3 Ų | 128.3 | 86% | 0.856 | 77% | 0.773 | S | S | * | * | trans | 130.9 | 108.9 | 161.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 493 | Q | 26.5 | Very low | 36 | Very low | 204 Ų | 204 | 133.2 Ų | 133.2 | 95% | 0.953 | 79% | 0.785 | S | S | * | * | trans | -63.9 | 165.4 | 176.7 | -59 | 159.7 | -48.4 | 0 | 0 | 115.2 | ||||
| 494 | G | 24.9 | Very low | 35.1 | Very low | 69 Ų | 69 | 133.3 Ų | 133.3 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | trans | 153.1 | 117 | 133.7 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 495 | S | 24.8 | Very low | 35.4 | Very low | 117 Ų | 117 | 128.5 Ų | 128.5 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | 63.4 | 162.9 | 153 | -72.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 496 | L | 32.5 | Very low | 34.6 | Very low | 148 Ų | 148 | 130.1 Ų | 130.1 | 78% | 0.775 | 78% | 0.779 | S | S | * | * | cis | -177.4 | 173.3 | -46.9 | -110.6 | 169 | 0 | 0 | 0 | 109 | ||||
| 497 | T | 27 | Very low | 34.2 | Very low | 134 Ų | 134 | 126.3 Ų | 126.3 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | trans | 69.2 | 156.2 | 169.7 | 65.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 498 | D | 28.3 | Very low | 34.8 | Very low | 141 Ų | 141 | 125.6 Ų | 125.6 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | cis | -169.6 | 162.6 | -30.2 | -177.3 | 44 | 0 | 0 | 0 | 111.6 | ||||
| 499 | S | 34 | Very low | 34.4 | Very low | 102 Ų | 102 | 121.2 Ų | 121.2 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | trans | 68.7 | 151.6 | 154.2 | -82.5 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 500 | G | 33.6 | Very low | 34.3 | Very low | 70 Ų | 70 | 120.2 Ų | 120.2 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | trans | -104 | -140.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 501 | P | 52.8 | Low | 34.2 | Very low | 141 Ų | 141 | 125 Ų | 125 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | cis | -128.9 | -113.2 | 32.3 | 38.8 | -19.4 | 0 | 0 | 0 | 115.8 | ||||
| 502 | E | 34.8 | Very low | 34.7 | Very low | 137 Ų | 137 | 125.1 Ų | 125.1 | 64% | 0.64 | 78% | 0.776 | S | S | * | * | trans | -156.8 | 159 | -147.5 | -152.4 | -152.3 | 160 | 0 | 0 | 116.4 | ||||
| 503 | R | 33.9 | Very low | 35.8 | Very low | 187 Ų | 187 | 126.5 Ų | 126.5 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | trans | 89.3 | 123.8 | 137.3 | -124.4 | -166.3 | -81.4 | -153.4 | -13.3 | 124.4 | ||||
| 504 | R | 37.7 | Very low | 36 | Very low | 173 Ų | 173 | 121.7 Ų | 121.7 | 65% | 0.653 | 76% | 0.759 | S | S | * | * | trans | 56 | -179.1 | 131.3 | -91 | -172.2 | 158.7 | -118.1 | -9.7 | 121.4 | E506 | R504-E506 IonicContact CZ-OE1 2.69Å; R504-E506 IonicContact CZ-OE2 2.62Å; R504-E506 IonicContact NH1-OE1 2.67Å; R504-E506 IonicContact NH1-OE2 3.78Å; R504-E506 PolarHBondContact NH1-OE2 2.95Å; R504-E506 IonicContact NH2-OE1 2.81Å; R504-E506 PolarHBondContact NH2-OE1 2.9Å; R504-E506 IonicContact NH2-OE2 3.6Å; R504-E506 PolarHBondContact NH2-OE2 2.72Å; R504-E506 VanDerWaalsContact NH2-OE2 3.13Å | ||
| 505 | P | 59.4 | Low | 36.5 | Very low | 118 Ų | 118 | 123.8 Ų | 123.8 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | cis | -127.4 | -165.9 | -2.6 | 19.5 | 7.3 | 0 | 0 | 0 | 116.8 | ||||
| 506 | E | 36.5 | Very low | 37.9 | Very low | 140 Ų | 140 | 123.5 Ų | 123.5 | 65% | 0.654 | 76% | 0.758 | S | S | * | * | trans | -100.5 | 151.7 | -174.2 | -47.4 | 120.1 | 140 | 0 | 0 | 116.1 | R504 | R504-E506 IonicContact CZ-OE1 2.69Å; R504-E506 IonicContact CZ-OE2 2.62Å; R504-E506 IonicContact NH1-OE1 2.67Å; R504-E506 IonicContact NH1-OE2 3.78Å; R504-E506 PolarHBondContact NH1-OE2 2.95Å; R504-E506 IonicContact NH2-OE1 2.81Å; R504-E506 PolarHBondContact NH2-OE1 2.9Å; R504-E506 IonicContact NH2-OE2 3.6Å; R504-E506 PolarHBondContact NH2-OE2 2.72Å; R504-E506 VanDerWaalsContact NH2-OE2 3.13Å | ||
| 507 | G | 37.5 | Very low | 38.1 | Very low | 74 Ų | 74 | 126.9 Ų | 126.9 | 76% | 0.763 | 76% | 0.761 | S | S | * | * | trans | 62.2 | -172 | 150 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 508 | P | 57.3 | Low | 38.7 | Very low | 132 Ų | 132 | 125.7 Ų | 125.7 | 86% | 0.857 | 75% | 0.753 | S | S | * | * | cis | -135.7 | 177.8 | -21.2 | 41.9 | -26.7 | 0 | 0 | 0 | 114.3 | ||||
| 509 | G | 29 | Very low | 39.1 | Very low | 73 Ų | 73 | 123.8 Ų | 123.8 | 75% | 0.753 | 75% | 0.747 | S | S | * | * | trans | 88.1 | 105.9 | 136.8 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 510 | A | 30 | Very low | 39 | Very low | 99 Ų | 99 | 126.3 Ų | 126.3 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | 69.9 | 156.6 | 130.4 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 511 | Q | 27 | Very low | 39.1 | Very low | 196 Ų | 196 | 126.4 Ų | 126.4 | 92% | 0.916 | 74% | 0.742 | S | S | * | * | trans | 83.2 | 147.7 | 166.6 | -53.6 | -162.2 | 24.4 | 0 | 0 | 119.9 | ||||
| 512 | A | 37.5 | Very low | 39.2 | Very low | 89 Ų | 89 | 125.2 Ų | 125.2 | 74% | 0.736 | 73% | 0.734 | S | S | * | * | trans | -103.1 | 173.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 513 | P | 46.9 | Very low | 39.1 | Very low | 113 Ų | 113 | 124.1 Ų | 124.1 | 73% | 0.734 | 74% | 0.74 | S | S | * | * | -150.6 | -176 | 102.2 | 37.2 | -19.3 | 0 | 0 | 0 | 114.8 | |||||
| 514 | S | 30.2 | Very low | 39.1 | Very low | 102 Ų | 102 | 120.2 Ų | 120.2 | 71% | 0.713 | 74% | 0.74 | S | S | * | * | trans | 54.6 | 111.5 | 156.4 | 47.3 | 0 | 0 | 0 | 0 | 118 | ||||
| 515 | S | 36 | Very low | 40.5 | Very low | 113 Ų | 113 | 118.1 Ų | 118.1 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | cis | 59 | 139.7 | 35.9 | -149.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 516 | P | 54 | Low | 39.2 | Very low | 112 Ų | 112 | 116.2 Ų | 116.2 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | cis | -132.2 | -157.7 | 22.6 | 41 | -19 | 0 | 0 | 0 | 112.5 | ||||
| 517 | R | 37.1 | Very low | 39.3 | Very low | 218 Ų | 218 | 114.1 Ų | 114.1 | 82% | 0.823 | 76% | 0.757 | S | S | * | * | cis | -163.4 | 149.7 | 15.9 | -146.3 | -162.7 | 174.6 | 177.8 | -5.1 | 111.7 | ||||
| 518 | V | 38.6 | Very low | 40.5 | Very low | 110 Ų | 110 | 115.8 Ų | 115.8 | 67% | 0.667 | 76% | 0.755 | S | S | * | * | trans | 61.7 | 136.5 | 141.1 | 151.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 519 | T | 37.1 | Very low | 39.5 | Very low | 101 Ų | 101 | 114.2 Ų | 114.2 | 62% | 0.62 | 75% | 0.747 | S | S | * | * | cis | -164.1 | -174.1 | -25.8 | 38.5 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 520 | E | 33.2 | Very low | 39.9 | Very low | 154 Ų | 154 | 116.4 Ų | 116.4 | 72% | 0.72 | 75% | 0.746 | S | S | * | * | cis | -123.4 | 167 | 8.6 | -123.8 | 42.7 | -95.1 | 0 | 0 | 108.5 | ||||
| 521 | A | 35.1 | Very low | 40.2 | Very low | 73 Ų | 73 | 120.2 Ų | 120.2 | 60% | 0.603 | 75% | 0.747 | S | S | * | * | cis | 85.6 | 147 | 25.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 522 | P | 55.3 | Low | 40.6 | Very low | 116 Ų | 116 | 115.2 Ų | 115.2 | 75% | 0.753 | 74% | 0.739 | S | S | * | * | -144.3 | -169.2 | -103.9 | 39.8 | -19.5 | 0 | 0 | 0 | 116.3 | |||||
| 523 | C | 32.1 | Very low | 40.6 | Very low | 114 Ų | 114 | 117.2 Ų | 117.2 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | trans | 69 | 169.6 | 153.9 | -112.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 524 | C | 33.5 | Very low | 40.1 | Very low | 104 Ų | 104 | 115 Ų | 115 | 70% | 0.703 | 75% | 0.745 | S | S | * | * | cis | -159.2 | -177.1 | -17.4 | -107.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 525 | P | 67.9 | Low | 40.5 | Very low | 130 Ų | 130 | 119 Ų | 119 | 84% | 0.844 | 75% | 0.752 | S | S | * | * | trans | -104.3 | -176.8 | -154.2 | 41.9 | -37.9 | 0 | 0 | 0 | 114.9 | ||||
| 526 | G | 30.8 | Very low | 40.5 | Very low | 78 Ų | 78 | 119.8 Ų | 119.8 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | 176.7 | 133.9 | 164.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 527 | A | 38.8 | Very low | 39.8 | Very low | 96 Ų | 96 | 118 Ų | 118 | 79% | 0.793 | 75% | 0.754 | S | S | * | * | trans | -124.5 | -173.6 | 146.5 | 0 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 528 | P | 62.7 | Low | 40.8 | Very low | 109 Ų | 109 | 113.6 Ų | 113.6 | 71% | 0.708 | 75% | 0.754 | S | S | * | * | cis | -140.3 | -166.9 | -2.3 | 43.4 | -23.9 | 0 | 0 | 0 | 114.3 | ||||
| 529 | S | 37.5 | Very low | 40.7 | Very low | 98 Ų | 98 | 117.8 Ų | 117.8 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | trans | 66.7 | 152.5 | 139.2 | -62.5 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 530 | T | 37.2 | Very low | 41 | Very low | 120 Ų | 120 | 121.3 Ų | 121.3 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | trans | 89 | 135.5 | 136.6 | 28.6 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 531 | E | 35.8 | Very low | 42.2 | Very low | 178 Ų | 178 | 119 Ų | 119 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | trans | 66.1 | 132.1 | 150.8 | -66.3 | 169.5 | 172.5 | 0 | 0 | 119.2 | ||||
| 532 | A | 34.9 | Very low | 42.6 | Very low | 91 Ų | 91 | 121.7 Ų | 121.7 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | cis | 97.2 | 98.9 | 20.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 533 | S | 37.7 | Very low | 42.3 | Very low | 132 Ų | 132 | 121.9 Ų | 121.9 | 92% | 0.923 | 79% | 0.787 | S | S | * | * | trans | -175.7 | 152.9 | 153.8 | -80.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 534 | G | 35.8 | Very low | 43.1 | Very low | 66 Ų | 66 | 120.9 Ų | 120.9 | 68% | 0.68 | 79% | 0.788 | S | S | * | * | cis | 151.7 | 150.1 | -2.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 535 | Q | 39.4 | Very low | 43.8 | Very low | 185 Ų | 185 | 127.4 Ų | 127.4 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | trans | 66.6 | 113.1 | 171.5 | -65.7 | 175.6 | -3.6 | 0 | 0 | 115.8 | ||||
| 536 | T | 36.4 | Very low | 43 | Very low | 131 Ų | 131 | 129.5 Ų | 129.5 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | 65.4 | 116.2 | 71.9 | 65.4 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 537 | G | 39.3 | Very low | 43.6 | Very low | 73 Ų | 73 | 132.1 Ų | 132.1 | 75% | 0.753 | 83% | 0.827 | S | S | * | * | trans | -83.1 | -138 | 163.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 538 | P | 57.6 | Low | 43.8 | Very low | 127 Ų | 127 | 133.9 Ų | 133.9 | 83% | 0.825 | 83% | 0.828 | S | S | * | * | cis | -124.1 | 179.4 | -5.8 | 42.1 | -28.9 | 0 | 0 | 0 | 112.9 | ||||
| 539 | Q | 37.1 | Very low | 42.8 | Very low | 197 Ų | 197 | 135.3 Ų | 135.3 | 92% | 0.921 | 84% | 0.835 | S | S | * | * | trans | -158.2 | 130.5 | 153.2 | -119.4 | 164.6 | 24.9 | 0 | 0 | 113.6 | ||||
| 540 | E | 43.3 | Very low | 43.1 | Very low | 175 Ų | 175 | 137.5 Ų | 137.5 | 82% | 0.818 | 84% | 0.844 | S | S | * | * | trans | -84.5 | 166.4 | 157.1 | -151.3 | -174.4 | -157.1 | 0 | 0 | 108.1 | ||||
| 541 | P | 58 | Low | 43.4 | Very low | 105 Ų | 105 | 138.6 Ų | 138.6 | 68% | 0.682 | 85% | 0.851 | S | S | * | * | -156.2 | 169.3 | 94.5 | 39.7 | -21 | 0 | 0 | 0 | 117.9 | |||||
| 542 | T | 42.4 | Very low | 44 | Very low | 131 Ų | 131 | 136 Ų | 136 | 80% | 0.804 | 85% | 0.852 | S | S | * | * | trans | 74 | 124.8 | 148.1 | 40.9 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 543 | S | 49.9 | Very low | 44.6 | Very low | 119 Ų | 119 | 139.2 Ų | 139.2 | 83% | 0.832 | 86% | 0.859 | S | S | * | * | trans | -86.5 | 151.1 | 166.5 | 171.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 544 | A | 48.2 | Very low | 45.1 | Very low | 94 Ų | 94 | 139.8 Ų | 139.8 | 78% | 0.777 | 85% | 0.854 | S | S | * | * | trans | -149 | 109.2 | 163.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 545 | R | 49.3 | Very low | 45.9 | Very low | 240 Ų | 240 | 145.9 Ų | 145.9 | 91% | 0.906 | 87% | 0.868 | S | S | * | * | trans | 50.4 | 108.6 | 134.8 | -172.7 | -169.6 | -175.2 | -174.5 | 2.9 | 119.6 | ||||
| 546 | A | 49.8 | Very low | 46.5 | Very low | 174 Ų | 174 | 142.4 Ų | 142.4 | 100% | 1.438 | 87% | 0.869 | S | S | * | * | -148.6 | 0 | 123.7 | 0 | 0 | 0 | 0 | 0 | 109.1 |
Retrieved 546 of 546 residues in 1756.3 ms
(Link to these results)