| 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 | 42.6 | Very low | 42.6 | Very low | 249 Ų | 249 | 139.2 Ų | 139.2 | 100% | 1.227 | 83% | 0.829 | S | S | * | * | 0 | 173.8 | 0 | -66.7 | -168.2 | 82.6 | 0 | 0 | 109 | |||||
| 2 | A | 44.5 | Very low | 42.1 | Very low | 98 Ų | 98 | 147.7 Ų | 147.7 | 81% | 0.81 | 84% | 0.836 | S | S | * | * | trans | -69 | 164.7 | -158.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 3 | P | 61.5 | Low | 41.5 | Very low | 116 Ų | 116 | 148.1 Ų | 148.1 | 75% | 0.753 | 83% | 0.827 | S | S | * | * | trans | -115.9 | -156.7 | -171.8 | 37.4 | -19.5 | 0 | 0 | 0 | 113.5 | ||||
| 4 | V | 39.6 | Very low | 41.1 | Very low | 119 Ų | 119 | 143.7 Ų | 143.7 | 72% | 0.721 | 82% | 0.819 | S | S | * | * | trans | 92.5 | 105.7 | 167.5 | -168.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 5 | S | 39.3 | Very low | 40.6 | Very low | 120 Ų | 120 | 142.3 Ų | 142.3 | 84% | 0.839 | 82% | 0.821 | S | S | * | * | 60.4 | 147.4 | 87.2 | -39.4 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 6 | G | 34.4 | Very low | 40 | Very low | 60 Ų | 60 | 138.6 Ų | 138.6 | 62% | 0.619 | 82% | 0.823 | S | S | * | * | cis | 157 | 126.3 | 15.9 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 7 | S | 36.8 | Very low | 39.7 | Very low | 111 Ų | 111 | 137.9 Ų | 137.9 | 78% | 0.776 | 83% | 0.828 | S | S | * | * | 72 | 123.1 | 114.8 | 70.1 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 8 | R | 38.5 | Very low | 39.3 | Very low | 248 Ų | 248 | 134.8 Ų | 134.8 | 94% | 0.936 | 83% | 0.829 | S | S | * | * | trans | 70.1 | 150.4 | 144 | -67.3 | -178.8 | 172.1 | -161.5 | -3 | 120.4 | ||||
| 9 | T | 41.9 | Very low | 39 | Very low | 133 Ų | 133 | 131.6 Ų | 131.6 | 82% | 0.816 | 83% | 0.825 | S | S | * | * | trans | -69.1 | 168.8 | 173.9 | 48.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 10 | P | 54.9 | Low | 38.8 | Very low | 126 Ų | 126 | 137.1 Ų | 137.1 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | -145.7 | 165.5 | 116.1 | 37.5 | -22.6 | 0 | 0 | 0 | 117.7 | |||||
| 11 | D | 34.7 | Very low | 38.6 | Very low | 151 Ų | 151 | 140.1 Ų | 140.1 | 81% | 0.807 | 83% | 0.826 | S | S | * | * | trans | -34.9 | 159 | 168.7 | -92.2 | -64 | 0 | 0 | 0 | 121.1 | ||||
| 12 | R | 35.8 | Very low | 38.2 | Very low | 241 Ų | 241 | 138.4 Ų | 138.4 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | trans | -154.6 | 97.3 | 136.8 | -165.5 | 164.6 | 175.3 | -177.4 | -2.9 | 114.1 | ||||
| 13 | E | 35 | Very low | 37.7 | Very low | 153 Ų | 153 | 138.5 Ų | 138.5 | 72% | 0.715 | 80% | 0.8 | S | S | * | * | trans | -7.4 | 135 | 146.3 | -75.8 | -69.6 | 162.2 | 0 | 0 | 119.3 | ||||
| 14 | A | 35.3 | Very low | 36.3 | Very low | 87 Ų | 87 | 137.8 Ų | 137.8 | 72% | 0.719 | 80% | 0.798 | S | S | * | * | 179.1 | 115.9 | 112.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 15 | S | 34.6 | Very low | 36 | Very low | 122 Ų | 122 | 136.4 Ų | 136.4 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | trans | 51.4 | 116.3 | 131.9 | -54 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 16 | G | 30.8 | Very low | 35.8 | Very low | 83 Ų | 83 | 139.8 Ų | 139.8 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | trans | -174 | 91.8 | 165 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 17 | S | 35.1 | Very low | 36.1 | Very low | 128 Ų | 128 | 142 Ų | 142 | 90% | 0.895 | 80% | 0.8 | S | S | * | * | trans | -72.5 | 161.6 | -174.9 | 55.9 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 18 | G | 32.3 | Very low | 36.4 | Very low | 82 Ų | 82 | 143 Ų | 143 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | trans | 128.1 | 119 | 151.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 19 | G | 33.2 | Very low | 36.6 | Very low | 73 Ų | 73 | 140.7 Ų | 140.7 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | trans | -111.2 | -166.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 20 | R | 34.9 | Very low | 36.7 | Very low | 241 Ų | 241 | 140 Ų | 140 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | trans | 78.1 | 111.6 | 177.3 | -56.4 | 178.2 | 168.3 | -136.6 | -2.8 | 113.9 | ||||
| 21 | R | 34.9 | Very low | 36.1 | Very low | 201 Ų | 201 | 140 Ų | 140 | 76% | 0.758 | 80% | 0.801 | S | S | * | * | 73.6 | 116.9 | 72.2 | -79.4 | -170.7 | 171.9 | -146.5 | -2.1 | 114.6 | |||||
| 22 | R | 35.1 | Very low | 36.3 | Very low | 213 Ų | 213 | 141.8 Ų | 141.8 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | 69.4 | 147.3 | 151.3 | -61.3 | 172.4 | 177.4 | -177.3 | -5.2 | 114.8 | ||||
| 23 | S | 33.9 | Very low | 36.2 | Very low | 100 Ų | 100 | 136 Ų | 136 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | cis | -175 | 166.2 | -4 | 40.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 24 | S | 31.3 | Very low | 36.2 | Very low | 102 Ų | 102 | 132.7 Ų | 132.7 | 71% | 0.713 | 80% | 0.797 | S | S | * | * | trans | 85.2 | 139.5 | 140 | 78 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 25 | S | 33.7 | Very low | 36.1 | Very low | 90 Ų | 90 | 140.4 Ų | 140.4 | 63% | 0.629 | 81% | 0.807 | S | S | * | * | trans | 75 | 147.5 | 154.2 | 81.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 26 | K | 35.8 | Very low | 36.1 | Very low | 190 Ų | 190 | 140 Ų | 140 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | cis | -130.2 | 149.9 | 8.4 | -87.1 | 92.7 | -178.2 | 172.3 | 0 | 112.9 | ||||
| 27 | S | 40.6 | Very low | 36.8 | Very low | 108 Ų | 108 | 141.9 Ų | 141.9 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | trans | -85.6 | 147.7 | 151.8 | -42.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 28 | P | 42.8 | Very low | 36.8 | Very low | 131 Ų | 131 | 147.7 Ų | 147.7 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | trans | -81.6 | 137.9 | 163.5 | 31.1 | -29.1 | 0 | 0 | 0 | 111 | ||||
| 29 | K | 41.7 | Very low | 36.6 | Very low | 200 Ų | 200 | 147.6 Ų | 147.6 | 87% | 0.87 | 80% | 0.803 | S | S | * | * | trans | -122 | 154 | 167.3 | -89.3 | -169 | 178.2 | -178.7 | 0 | 109.8 | ||||
| 30 | P | 43.5 | Very low | 36.7 | Very low | 118 Ų | 118 | 155.8 Ų | 155.8 | 77% | 0.766 | 81% | 0.811 | S | S | * | * | trans | -82.9 | 158.1 | -167.3 | 33.4 | -37.1 | 0 | 0 | 0 | 114.2 | ||||
| 31 | S | 43.8 | Very low | 36.5 | Very low | 126 Ų | 126 | 154.8 Ų | 154.8 | 88% | 0.881 | 81% | 0.807 | S | S | * | * | trans | -76.5 | 162.1 | 170.6 | 49.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 32 | K | 38.9 | Very low | 36.4 | Very low | 189 Ų | 189 | 150.9 Ų | 150.9 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | -120 | 139.9 | -168.6 | -66.9 | 176.9 | 175.9 | 177 | 0 | 113.3 | ||||
| 33 | S | 33.5 | Very low | 36.2 | Very low | 118 Ų | 118 | 150.6 Ų | 150.6 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | trans | 66 | 154 | 145.2 | 73.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 34 | A | 34.6 | Very low | 36 | Very low | 85 Ų | 85 | 151.1 Ų | 151.1 | 70% | 0.702 | 81% | 0.813 | S | S | * | * | cis | -157.1 | 172.3 | 16.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 35 | R | 32.6 | Very low | 36 | Very low | 249 Ų | 249 | 154.5 Ų | 154.5 | 94% | 0.94 | 82% | 0.818 | S | S | * | * | trans | 84.3 | 127.9 | 158.8 | -63.6 | -176.6 | 176.5 | -136.3 | -1.8 | 120.2 | ||||
| 36 | S | 35.1 | Very low | 35.8 | Very low | 114 Ų | 114 | 155.5 Ų | 155.5 | 80% | 0.797 | 83% | 0.825 | S | S | * | * | trans | -84.9 | 169.9 | 177.7 | -36.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 37 | P | 45.3 | Very low | 35.6 | Very low | 121 Ų | 121 | 152.8 Ų | 152.8 | 79% | 0.786 | 83% | 0.828 | S | S | * | * | -146.1 | 154.1 | 87.5 | 37.2 | -20.4 | 0 | 0 | 0 | 117.5 | |||||
| 38 | R | 34.6 | Very low | 35.1 | Very low | 250 Ų | 250 | 153.2 Ų | 153.2 | 94% | 0.943 | 83% | 0.831 | S | S | * | * | trans | 30 | 115.9 | 149.3 | -65 | -178.5 | 171 | -144.1 | -1.4 | 120.2 | ||||
| 39 | G | 29.6 | Very low | 34.7 | Very low | 80 Ų | 80 | 159.2 Ų | 159.2 | 83% | 0.825 | 84% | 0.836 | S | S | * | * | trans | -163.7 | 102.5 | 157.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 40 | R | 34.6 | Very low | 34.2 | Very low | 246 Ų | 246 | 155.3 Ų | 155.3 | 93% | 0.928 | 84% | 0.835 | S | S | * | * | trans | -79.6 | 131.7 | 175.6 | -70.3 | 175.2 | 172.9 | -103.7 | 5.2 | 110.7 | ||||
| 41 | R | 31.4 | Very low | 33.7 | Very low | 220 Ų | 220 | 152.7 Ų | 152.7 | 83% | 0.83 | 83% | 0.829 | S | S | * | * | trans | -177 | 116.5 | 130.6 | -107.1 | 166.8 | 176.5 | -115.9 | -0.2 | 113.7 | ||||
| 42 | S | 33 | Very low | 33.2 | Very low | 119 Ų | 119 | 154.1 Ų | 154.1 | 83% | 0.832 | 83% | 0.827 | S | S | * | * | trans | -71.2 | 141.1 | 160.5 | -39.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 43 | R | 30.1 | Very low | 32.9 | Very low | 206 Ų | 206 | 157 Ų | 157 | 78% | 0.777 | 83% | 0.833 | S | S | * | * | trans | -128.4 | 91.5 | 169.9 | -108.9 | -177.2 | 174.2 | 141 | -5.2 | 110.4 | ||||
| 44 | S | 30.5 | Very low | 32.9 | Very low | 111 Ų | 111 | 159.1 Ų | 159.1 | 78% | 0.776 | 83% | 0.834 | S | S | * | * | trans | -90.4 | 124.2 | 161.3 | 37.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 45 | H | 29.6 | Very low | 32.7 | Very low | 174 Ų | 174 | 158.3 Ų | 158.3 | 81% | 0.806 | 83% | 0.834 | S | S | * | * | trans | -91.9 | 102.7 | 175.7 | -84.1 | -74.4 | 0 | 0 | 0 | 110.6 | ||||
| 46 | S | 31.2 | Very low | 32.8 | Very low | 111 Ų | 111 | 155.5 Ų | 155.5 | 78% | 0.776 | 84% | 0.837 | S | S | * | * | trans | -98.3 | 146.7 | 161 | 49.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 47 | C | 30.1 | Very low | 32.8 | Very low | 132 Ų | 132 | 155 Ų | 155 | 89% | 0.892 | 83% | 0.833 | S | S | * | * | trans | -82.2 | 137.9 | -177.8 | 55.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 48 | S | 30.3 | Very low | 32.2 | Very low | 117 Ų | 117 | 158.4 Ų | 158.4 | 82% | 0.818 | 84% | 0.839 | S | S | * | * | trans | -142.1 | 123.7 | 158.9 | 45.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 49 | R | 34.3 | Very low | 32.2 | Very low | 257 Ų | 257 | 154.2 Ų | 154.2 | 97% | 0.97 | 83% | 0.83 | S | S | * | * | trans | -89.3 | 112.6 | 168.9 | -82.1 | 171.5 | 151.2 | -169.1 | -7.8 | 107.5 | ||||
| 50 | S | 32.4 | Very low | 32.3 | Very low | 119 Ų | 119 | 157.8 Ų | 157.8 | 83% | 0.832 | 83% | 0.829 | S | S | * | * | trans | -94.3 | 129.5 | 153.5 | 44.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 51 | G | 33.4 | Very low | 31.9 | Very low | 63 Ų | 63 | 150 Ų | 150 | 65% | 0.649 | 83% | 0.825 | S | S | * | * | trans | -89.9 | 148.6 | 159.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 52 | D | 32.3 | Very low | 31.7 | Very low | 156 Ų | 156 | 143.4 Ų | 143.4 | 83% | 0.834 | 83% | 0.825 | S | S | * | * | trans | -176.2 | 116.7 | 149.9 | -92.9 | -30.3 | 0 | 0 | 0 | 108.9 | ||||
| 53 | R | 32.5 | Very low | 31.6 | Very low | 250 Ų | 250 | 146.4 Ų | 146.4 | 94% | 0.943 | 83% | 0.831 | S | S | * | * | trans | -153.9 | 93 | 157.5 | -79.3 | -154 | 175.5 | -177.4 | -2.8 | 110.2 | ||||
| 54 | N | 34.4 | Very low | 31.6 | Very low | 161 Ų | 161 | 142.5 Ų | 142.5 | 86% | 0.861 | 84% | 0.835 | S | S | * | * | trans | -63.8 | 154.9 | 144.9 | -53.8 | -40 | 0 | 0 | 0 | 107.6 | ||||
| 55 | G | 30.4 | Very low | 31.8 | Very low | 68 Ų | 68 | 146.3 Ų | 146.3 | 70% | 0.701 | 84% | 0.841 | S | S | * | * | cis | 167.2 | 141.4 | -4 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 56 | L | 33.9 | Very low | 31.8 | Very low | 190 Ų | 190 | 141.8 Ų | 141.8 | 100% | 0.995 | 84% | 0.841 | S | S | * | * | trans | -141.8 | 134.7 | 172.6 | -78 | 176.9 | 0 | 0 | 0 | 109.6 | ||||
| 57 | S | 34.2 | Very low | 31.8 | Very low | 104 Ų | 104 | 141.6 Ų | 141.6 | 73% | 0.727 | 84% | 0.84 | S | S | * | * | trans | -113.2 | 139.9 | -173.1 | 55.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 58 | H | 33.5 | Very low | 32 | Very low | 193 Ų | 193 | 146.7 Ų | 146.7 | 89% | 0.894 | 84% | 0.84 | S | S | * | * | trans | -148.5 | 118.8 | 149.4 | -96.4 | -79.7 | 0 | 0 | 0 | 111.8 | ||||
| 59 | Q | 34.5 | Very low | 32.1 | Very low | 162 Ų | 162 | 148.3 Ų | 148.3 | 76% | 0.757 | 84% | 0.84 | S | S | * | * | trans | -25.6 | 154.5 | 147.4 | -61.7 | -77.4 | 38 | 0 | 0 | 114.2 | ||||
| 60 | L | 30.8 | Very low | 32.1 | Very low | 155 Ų | 155 | 145.8 Ų | 145.8 | 81% | 0.812 | 84% | 0.839 | S | S | * | * | cis | -168.1 | 160.7 | 14.1 | -113.9 | 160.3 | 0 | 0 | 0 | 110.8 | ||||
| 61 | G | 27 | Very low | 32.1 | Very low | 81 Ų | 81 | 145.5 Ų | 145.5 | 84% | 0.835 | 84% | 0.837 | S | S | * | * | trans | 100.8 | 128.4 | 142.8 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 62 | G | 28.4 | Very low | 31.9 | Very low | 82 Ų | 82 | 153.2 Ų | 153.2 | 85% | 0.845 | 85% | 0.848 | S | S | * | * | trans | 140.6 | 113.5 | 160.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 63 | L | 30.1 | Very low | 31.9 | Very low | 183 Ų | 183 | 155.5 Ų | 155.5 | 96% | 0.958 | 85% | 0.845 | S | S | * | * | trans | -89.1 | 145.6 | -178.1 | -57.8 | 110.4 | 0 | 0 | 0 | 113.6 | ||||
| 64 | S | 28.9 | Very low | 31.9 | Very low | 123 Ų | 123 | 148.7 Ų | 148.7 | 86% | 0.86 | 84% | 0.836 | S | S | * | * | trans | -170.2 | 151 | 131.6 | -163.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 65 | Q | 36.3 | Very low | 31.7 | Very low | 192 Ų | 192 | 150.2 Ų | 150.2 | 90% | 0.897 | 83% | 0.83 | S | S | * | * | trans | -84.5 | 158 | -179 | -60.2 | -178.1 | -6.4 | 0 | 0 | 112.6 | ||||
| 66 | G | 28 | Very low | 31.7 | Very low | 78 Ų | 78 | 152.7 Ų | 152.7 | 80% | 0.804 | 84% | 0.836 | S | S | * | * | trans | 171.1 | 65.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 67 | S | 32.9 | Very low | 31.6 | Very low | 107 Ų | 107 | 154 Ų | 154 | 75% | 0.748 | 83% | 0.827 | S | S | * | * | trans | -33.8 | 128.8 | 171.7 | -179 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 68 | R | 34.6 | Very low | 31.5 | Very low | 240 Ų | 240 | 154.6 Ų | 154.6 | 91% | 0.906 | 83% | 0.832 | S | S | * | * | -171.1 | 136 | 110.2 | -105.3 | 173.7 | 173.9 | 171.7 | -1.1 | 115.1 | |||||
| 69 | N | 32.2 | Very low | 31.4 | Very low | 151 Ų | 151 | 156.7 Ų | 156.7 | 81% | 0.807 | 83% | 0.832 | S | S | * | * | trans | -66.9 | 147.5 | -177.4 | -59.3 | -39 | 0 | 0 | 0 | 114.6 | ||||
| 70 | Q | 33.8 | Very low | 31.1 | Very low | 203 Ų | 203 | 153.8 Ų | 153.8 | 95% | 0.949 | 83% | 0.829 | S | S | * | * | -157.6 | 127.1 | 122.3 | -116.4 | 169.6 | 84.2 | 0 | 0 | 112 | |||||
| 71 | S | 31.9 | Very low | 31.3 | Very low | 113 Ų | 113 | 158.4 Ų | 158.4 | 79% | 0.79 | 84% | 0.836 | S | S | * | * | trans | -97.9 | 151.6 | -170.9 | 46.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 72 | Y | 30.1 | Very low | 31.6 | Very low | 226 Ų | 226 | 163 Ų | 163 | 89% | 0.886 | 84% | 0.836 | S | S | * | * | trans | -57.9 | 139 | 166.3 | -92.9 | -109.3 | 0 | 0 | 0 | 111.1 | ||||
| 73 | R | 32.3 | Very low | 31.9 | Very low | 203 Ų | 203 | 170 Ų | 170 | 77% | 0.766 | 84% | 0.837 | S | S | * | * | trans | -146.3 | 100.2 | 160.9 | -134.9 | 177.7 | -158.9 | -92.9 | 5 | 112.5 | ||||
| 74 | S | 31.5 | Very low | 32.3 | Very low | 108 Ų | 108 | 167.3 Ų | 167.3 | 76% | 0.755 | 83% | 0.831 | S | S | * | * | trans | -61 | 140.2 | 166.5 | -48.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 75 | R | 29.7 | Very low | 32.5 | Very low | 193 Ų | 193 | 167 Ų | 167 | 73% | 0.728 | 83% | 0.829 | S | S | * | * | trans | -152.4 | 93.4 | 169.1 | -137.9 | 171.3 | -168.2 | 166.6 | 2.5 | 113.1 | ||||
| 76 | S | 31.2 | Very low | 32.5 | Very low | 119 Ų | 119 | 162.4 Ų | 162.4 | 83% | 0.832 | 82% | 0.823 | S | S | * | * | trans | -62.7 | 136.2 | 161.9 | -45.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 77 | R | 31.6 | Very low | 33.3 | Very low | 217 Ų | 217 | 164.9 Ų | 164.9 | 82% | 0.819 | 83% | 0.825 | S | S | * | * | trans | -160 | 114.1 | 157.3 | -120.7 | 169.8 | -176.2 | 171.2 | 0.2 | 112.1 | ||||
| 78 | S | 31.6 | Very low | 33.5 | Very low | 118 Ų | 118 | 172.1 Ų | 172.1 | 83% | 0.825 | 84% | 0.836 | S | S | * | * | trans | -57.1 | 146.7 | 166.7 | -38.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 79 | R | 31.7 | Very low | 33.4 | Very low | 237 Ų | 237 | 164.2 Ų | 164.2 | 89% | 0.894 | 83% | 0.829 | S | S | * | * | trans | -150.8 | 112.4 | 159.8 | -111.7 | 166.1 | -173.5 | 178 | -1.4 | 110.7 | ||||
| 80 | S | 29.4 | Very low | 33.5 | Very low | 100 Ų | 100 | 164.8 Ų | 164.8 | 70% | 0.699 | 83% | 0.83 | S | S | * | * | trans | -54.4 | 152.8 | 163.7 | 37.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 81 | R | 35.1 | Very low | 34.1 | Very low | 253 Ų | 253 | 161 Ų | 161 | 96% | 0.955 | 82% | 0.824 | S | S | * | * | trans | -105.8 | 92 | 162.9 | -81 | -174.6 | 168.8 | -166 | -4.9 | 108.2 | ||||
| 82 | E | 31.5 | Very low | 34.2 | Very low | 178 Ų | 178 | 165.6 Ų | 165.6 | 83% | 0.832 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 151.4 | 165.6 | -67.2 | -174.4 | 141.3 | 0 | 0 | 110.4 | ||
| 83 | R | 35.6 | Very low | 34.3 | Very low | 227 Ų | 227 | 158.4 Ų | 158.4 | 86% | 0.857 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 128.4 | -178.4 | -179.1 | -177.4 | -177 | -176.1 | 0.8 | 107.9 | ||
| 84 | P | 38.5 | Very low | 34.6 | Very low | 128 Ų | 128 | 154.8 Ų | 154.8 | 83% | 0.831 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 146.8 | 179 | 29.9 | -33.9 | 0 | 0 | 0 | 111.3 | ||
| 85 | S | 33.5 | Very low | 34.8 | Very low | 117 Ų | 117 | 154.1 Ų | 154.1 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | -124.6 | 128.6 | -175.4 | -58.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 86 | A | 35 | Very low | 35.5 | Very low | 95 Ų | 95 | 151.1 Ų | 151.1 | 79% | 0.785 | 83% | 0.832 | S | S | * | * | trans | 177.2 | 159.1 | 158.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 87 | P | 44.9 | Very low | 35.8 | Very low | 130 Ų | 130 | 150.9 Ų | 150.9 | 84% | 0.844 | 83% | 0.831 | S | S | * | * | cis | -121.2 | -168.2 | -34.2 | 34.4 | -16.9 | 0 | 0 | 0 | 111.7 | ||||
| 88 | R | 38.6 | Very low | 36.2 | Very low | 259 Ų | 259 | 145.5 Ų | 145.5 | 98% | 0.977 | 83% | 0.826 | S | S | * | * | trans | -101.2 | 157.9 | -172.8 | -64.3 | -177.4 | 179 | -166.9 | 1 | 114.6 | ||||
| 89 | G | 31.5 | Very low | 36.6 | Very low | 73 Ų | 73 | 146.1 Ų | 146.1 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | trans | 132.9 | 133.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 90 | I | 35.4 | Very low | 36.9 | Very low | 164 Ų | 164 | 144.9 Ų | 144.9 | 84% | 0.841 | 82% | 0.821 | S | S | * | * | cis | -140.1 | 152.9 | 6.3 | -76 | 176.6 | 0 | 0 | 0 | 106.8 | ||||
| 91 | P | 46.3 | Very low | 37.2 | Very low | 124 Ų | 124 | 151 Ų | 151 | 81% | 0.805 | 83% | 0.831 | S | S | * | * | trans | -80.8 | 145.6 | -170.4 | 32.3 | -36.1 | 0 | 0 | 0 | 114.1 | ||||
| 92 | F | 32.2 | Very low | 37.2 | Very low | 209 Ų | 209 | 141.7 Ų | 141.7 | 92% | 0.917 | 81% | 0.813 | S | S | * | * | trans | -132.3 | 158.8 | 160.3 | -164.6 | -104.2 | 0 | 0 | 0 | 110.8 | ||||
| 93 | A | 33.9 | Very low | 37.6 | Very low | 74 Ų | 74 | 137.9 Ų | 137.9 | 61% | 0.612 | 81% | 0.806 | S | S | * | * | trans | -63 | 153.2 | -154.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | A95 | A93-A95 PolarHBondContact O-N 3.11Š| ||
| 94 | S | 37.4 | Very low | 38 | Very low | 127 Ų | 127 | 138.4 Ų | 138.4 | 89% | 0.888 | 81% | 0.81 | S | S | * | * | trans | -54.4 | 127.4 | 166.2 | -64 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 95 | A | 36.1 | Very low | 38.3 | Very low | 95 Ų | 95 | 136.7 Ų | 136.7 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | trans | -121.1 | 114.5 | 153.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | A93 S97 | A93-A95 PolarHBondContact O-N 3.11Å; A95-S97 PolarHBondContact O-N 2.95Å | ||
| 96 | S | 45.5 | Very low | 38.9 | Very low | 130 Ų | 130 | 141.9 Ų | 141.9 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | trans | -61.5 | 115.4 | 177.9 | -65.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 97 | S | 36.4 | Very low | 39.6 | Very low | 114 Ų | 114 | 143.1 Ų | 143.1 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | trans | -117.9 | 112.1 | 166.2 | -173.7 | 0 | 0 | 0 | 0 | 109.3 | A95 | A95-S97 PolarHBondContact O-N 2.95Š| ||
| 98 | S | 39.4 | Very low | 39.7 | Very low | 104 Ų | 104 | 147.8 Ų | 147.8 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | -50.1 | 136.5 | -175.9 | -177.9 | 0 | 0 | 0 | 0 | 113.3 | Y100 | S98-Y100 PolarHBondContact O-N 3.15Š| ||
| 99 | V | 40.3 | Very low | 40.4 | Very low | 130 Ų | 130 | 139.1 Ų | 139.1 | 79% | 0.788 | 80% | 0.796 | S | S | * | * | trans | -73.1 | 109.1 | 174.6 | -178.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 100 | Y | 38 | Very low | 41 | Very low | 212 Ų | 212 | 140 Ų | 140 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | trans | -132.3 | 53.5 | 169.8 | -132.7 | -91.9 | 0 | 0 | 0 | 113.1 | S98 G102 | S98-Y100 PolarHBondContact O-N 3.15Å; Y100-G102 VanDerWaalsContact C-N 3.29Å; Y100-G102 PolarHBondContact O-N 3.3Å | ||
| 101 | Y | 36.1 | Very low | 42 | Very low | 228 Ų | 228 | 140 Ų | 140 | 89% | 0.894 | 79% | 0.793 | S | S | * | * | trans | -68.9 | 91.6 | 159.5 | -99.3 | -86.5 | 0 | 0 | 0 | 109 | S103 | Y101-S103 VanDerWaalsContact C-N 3.29Å; Y101-S103 PolarHBondContact O-N 3.45Å | ||
| 102 | G | 36.1 | Very low | 42.7 | Very low | 57 Ų | 57 | 142.8 Ų | 142.8 | 59% | 0.588 | 79% | 0.792 | S | S | * | * | trans | -63.6 | 83.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | Y100 Y104 | Y100-G102 VanDerWaalsContact C-N 3.29Å; Y100-G102 PolarHBondContact O-N 3.3Å; G102-Y104 PolarHBondContact O-N 3.22Å | ||
| 103 | S | 39.5 | Very low | 44.1 | Very low | 98 Ų | 98 | 138.5 Ų | 138.5 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | trans | -66.3 | 121.8 | 174.8 | -167.8 | 0 | 0 | 0 | 0 | 109.8 | Y101 S105 | Y101-S103 VanDerWaalsContact C-N 3.29Å; Y101-S103 PolarHBondContact O-N 3.45Å; S103-S105 PolarHBondContact O-N 2.9Å | ||
| 104 | Y | 42.6 | Very low | 45.1 | Very low | 239 Ų | 239 | 146.3 Ų | 146.3 | 94% | 0.937 | 80% | 0.799 | S | S | * | * | trans | -73.2 | 59.8 | 173.5 | -91.1 | -88.9 | 0 | 0 | 0 | 111.6 | G102 R106 | G102-Y104 PolarHBondContact O-N 3.22Å; Y104-R106 PolarHBondContact O-N 3.03Å; Y104-R106 VanDerWaalsContact O-N 3.1Å | ||
| 105 | S | 45.9 | Very low | 46.1 | Very low | 92 Ų | 92 | 144.3 Ų | 144.3 | 64% | 0.643 | 78% | 0.783 | S | S | * | * | trans | -72.2 | 97.2 | 167.2 | -68.6 | 0 | 0 | 0 | 0 | 109 | S103 P107 | S103-S105 PolarHBondContact O-N 2.9Å; S105-P107 WeakPolarHBondContact O-CD 3.38Å | ||
| 106 | R | 46.1 | Very low | 47.6 | Very low | 225 Ų | 225 | 142.6 Ų | 142.6 | 85% | 0.849 | 77% | 0.766 | S | S | * | * | trans | -58.1 | 117.1 | 164.6 | -92.1 | 175.5 | 154.6 | -126.8 | -1 | 109 | Y104 Y108 | Y104-R106 PolarHBondContact O-N 3.03Å; Y104-R106 VanDerWaalsContact O-N 3.1Å; R106-Y108 PolarHBondContact O-N 2.96Å | ||
| 107 | P | 49.4 | Very low | 48.3 | Very low | 122 Ų | 122 | 142.7 Ų | 142.7 | 79% | 0.792 | 76% | 0.755 | S | S | * | * | trans | -70.5 | 113.9 | 171 | -14.2 | 30.9 | 0 | 0 | 0 | 108.6 | S105 | S105-P107 WeakPolarHBondContact O-CD 3.38Š| ||
| 108 | Y | 47.9 | Very low | 49.6 | Very low | 228 Ų | 228 | 142.9 Ų | 142.9 | 89% | 0.894 | 75% | 0.747 | S | S | * | * | trans | -82.7 | 128 | 164.5 | -131.4 | -95 | 0 | 0 | 0 | 107 | R106 | R106-Y108 PolarHBondContact O-N 2.96Š| ||
| 109 | G | 52.6 | Low | 51 | Low | 76 Ų | 76 | 142 Ų | 142 | 78% | 0.784 | 73% | 0.734 | S | S | * | * | trans | 83.7 | 78.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 110 | S | 44.3 | Very low | 52.7 | Low | 93 Ų | 93 | 141.5 Ų | 141.5 | 65% | 0.65 | 72% | 0.721 | S | S | * | * | trans | -145.9 | 118.5 | 154.7 | -178.8 | 0 | 0 | 0 | 0 | 107.7 | K112 | S110-K112 PolarHBondContact O-N 3.19Š| ||
| 111 | D | 57.1 | Low | 54.5 | Low | 162 Ų | 162 | 136.8 Ų | 136.8 | 87% | 0.866 | 71% | 0.707 | S | S | * | * | trans | -67.3 | 94.2 | -179.7 | -62.9 | -66.6 | 0 | 0 | 0 | 109.8 | P113 | D111-P113 WeakPolarHBondContact O-CD 3.29Š| ||
| 112 | K | 60.5 | Low | 56.5 | Low | 183 Ų | 183 | 134.3 Ų | 134.3 | 80% | 0.796 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 121.7 | 169.9 | -68 | 166.5 | -176 | 176.2 | 0 | 106.8 | S110 W114 | S110-K112 PolarHBondContact O-N 3.19Å; K112-W114 PolarHBondContact O-N 3.19Å |
| 113 | P | 61.7 | Low | 58.4 | Low | 120 Ų | 120 | 137.6 Ų | 137.6 | 78% | 0.779 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 140.5 | 171.5 | 24.5 | -32.8 | 0 | 0 | 0 | 108.4 | D111 | D111-P113 WeakPolarHBondContact O-CD 3.29Š|
| 114 | W | 54.2 | Low | 60.3 | Low | 238 Ų | 238 | 137.8 Ų | 137.8 | 90% | 0.902 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 138.9 | 177.1 | -72 | 86.3 | 0 | 0 | 0 | 109.4 | K112 S116 | K112-W114 PolarHBondContact O-N 3.19Å; W114-S116 PolarHBondContact O-N 3.17Å |
| 115 | P | 59.4 | Low | 62.4 | Low | 84 Ų | 84 | 129.4 Ų | 129.4 | 55% | 0.545 | 66% | 0.662 | S | S | . | * | P | Polyproline II helix | trans | -49.3 | 129.4 | 178.7 | -27.7 | 34.4 | 0 | 0 | 0 | 110.3 | D119 | P115-D119 HydrophobicContact CB-CB 4.39Š|
| 116 | S | 66.8 | Low | 64.4 | Low | 60 Ų | 60 | 129.8 Ų | 129.8 | 42% | 0.42 | 66% | 0.656 | S | S | . | * | P | Polyproline II helix | trans | -57.9 | 153.1 | -179.1 | -175.4 | 0 | 0 | 0 | 0 | 109.5 | W114 L118 D119 K120 | W114-S116 PolarHBondContact O-N 3.17Å; S116-L118 PolarHBondContact O-N 3.22Å; S116-D119 VanDerWaalsContact CB-OD2 3.22Å; S116-D119 WeakPolarHBondContact CB-OD2 3.5Å; S116-D119 PolarHBondContact N-OD2 3.35Å; S116-D119 WeakPolarHBondContact O-CA 3.42Å; S116-D119 WeakPolarHBondContact O-CB 3.38Å; S116-D119 PolarHBondContact O-N 3.13Å; S116-K120 PolarHBondContact O-N 2.97Å |
| 117 | L | 60.1 | Low | 66.2 | Low | 132 Ų | 132 | 126.6 Ų | 126.6 | 69% | 0.691 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -55.4 | -36.3 | 176.5 | -169.5 | 149.6 | 0 | 0 | 0 | 110.8 | K120 E121 | L117-K120 WeakPolarHBondContact O-CB 3.46Å; L117-K120 PolarHBondContact O-N 3.49Å; L117-E121 WeakPolarHBondContact O-CB 3.31Å; L117-E121 PolarHBondContact O-N 2.89Å |
| 118 | L | 63 | Low | 68 | Low | 118 Ų | 118 | 126.7 Ų | 126.7 | 62% | 0.618 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -66.4 | -34.3 | 173 | -82.6 | 72.6 | 0 | 0 | 0 | 113.8 | S116 R122 | S116-L118 PolarHBondContact O-N 3.22Å; L118-R122 VanDerWaalsContact O-CB 3.31Å; L118-R122 WeakPolarHBondContact O-CB 3.48Å; L118-R122 PolarHBondContact O-N 2.73Å |
| 119 | D | 70.7 | Confident | 69.9 | Low | 85 Ų | 85 | 123.2 Ų | 123.2 | 46% | 0.455 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -71 | -37.6 | 176.7 | -65.3 | -47.7 | 0 | 0 | 0 | 110.8 | P115 S116 R122 E123 | P115-D119 HydrophobicContact CB-CB 4.39Å; S116-D119 VanDerWaalsContact CB-OD2 3.22Å; S116-D119 WeakPolarHBondContact CB-OD2 3.5Å; S116-D119 PolarHBondContact N-OD2 3.35Å; S116-D119 WeakPolarHBondContact O-CA 3.42Å; S116-D119 WeakPolarHBondContact O-CB 3.38Å; S116-D119 PolarHBondContact O-N 3.13Å; D119-R122 PolarHBondContact O-N 2.97Å; D119-E123 WeakPolarHBondContact O-CB 3.43Å; D119-E123 PolarHBondContact O-N 3.2Å |
| 120 | K | 74.3 | Confident | 71.6 | Confident | 119 Ų | 119 | 125.2 Ų | 125.2 | 52% | 0.517 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -61.6 | -49 | 171.1 | -109.3 | 176.5 | 176.5 | 176 | 0 | 111.6 | S116 L117 R122 E123 E124 | S116-K120 PolarHBondContact O-N 2.97Å; L117-K120 WeakPolarHBondContact O-CB 3.46Å; L117-K120 PolarHBondContact O-N 3.49Å; K120-R122 VanDerWaalsContact C-N 3.31Å; K120-R122 PolarHBondContact O-N 3.37Å; K120-E123 PolarHBondContact O-N 2.95Å; K120-E123 VanDerWaalsContact O-N 3.15Å; K120-E124 WeakPolarHBondContact O-CB 3.4Å; K120-E124 WeakPolarHBondContact O-CG 3.43Å; K120-E124 PolarHBondContact O-N 3.24Å |
| 121 | E | 76.3 | Confident | 73.7 | Confident | 114 Ų | 114 | 124.9 Ų | 124.9 | 53% | 0.533 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -62.2 | -38.1 | 178.2 | -172.9 | 172.8 | -148 | 0 | 0 | 112 | L117 E124 S125 | L117-E121 WeakPolarHBondContact O-CB 3.31Å; L117-E121 PolarHBondContact O-N 2.89Å; E121-E124 PolarHBondContact O-N 3.42Å; E121-S125 WeakPolarHBondContact O-CB 3.28Å; E121-S125 PolarHBondContact O-N 3.34Å; E121-S125 PolarHBondContact O-OG 2.9Å |
| 122 | R | 77.6 | Confident | 75.1 | Confident | 175 Ų | 175 | 120.3 Ų | 120.3 | 66% | 0.66 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.2 | -43.6 | 171.4 | -174.4 | -177.6 | -69.8 | -167.9 | -1.5 | 112.2 | L118 D119 K120 S125 L126 | L118-R122 VanDerWaalsContact O-CB 3.31Å; L118-R122 WeakPolarHBondContact O-CB 3.48Å; L118-R122 PolarHBondContact O-N 2.73Å; D119-R122 PolarHBondContact O-N 2.97Å; K120-R122 VanDerWaalsContact C-N 3.31Å; K120-R122 PolarHBondContact O-N 3.37Å; R122-S125 PolarHBondContact O-N 3.31Å; R122-L126 HydrophobicContact CG-CD1 4.49Å; R122-L126 WeakPolarHBondContact O-CG 3.37Å; R122-L126 PolarHBondContact O-N 3.23Å |
| 123 | E | 76.6 | Confident | 76.1 | Confident | 127 Ų | 127 | 116.4 Ų | 116.4 | 59% | 0.593 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.2 | -38.2 | 176.4 | -177 | 168.5 | -149 | 0 | 0 | 112 | D119 K120 L126 R127 | D119-E123 WeakPolarHBondContact O-CB 3.43Å; D119-E123 PolarHBondContact O-N 3.2Å; K120-E123 PolarHBondContact O-N 2.95Å; K120-E123 VanDerWaalsContact O-N 3.15Å; E123-L126 CarbonylContact O-C 3.6Å; E123-L126 PolarHBondContact O-N 3.44Å; E123-R127 WeakPolarHBondContact O-CB 3.47Å; E123-R127 PolarHBondContact O-N 2.89Å |
| 124 | E | 80.3 | Confident | 77.1 | Confident | 102 Ų | 102 | 118.1 Ų | 118.1 | 48% | 0.477 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.3 | -41.1 | 174.9 | -75.1 | 179.2 | -174.6 | 0 | 0 | 111.6 | K120 E121 L126 R127 Q128 | K120-E124 WeakPolarHBondContact O-CB 3.4Å; K120-E124 WeakPolarHBondContact O-CG 3.43Å; K120-E124 PolarHBondContact O-N 3.24Å; E121-E124 PolarHBondContact O-N 3.42Å; E124-L126 PolarHBondContact O-N 2.94Å; E124-R127 CarbonylContact O-C 3.54Å; E124-R127 WeakPolarHBondContact O-CA 3.23Å; E124-R127 WeakPolarHBondContact O-CB 3.5Å; E124-R127 PolarHBondContact O-N 3.42Å; E124-Q128 WeakPolarHBondContact O-CG 3.37Å; E124-Q128 PolarHBondContact O-N 3.29Å |
| 125 | S | 85.1 | Confident | 78.6 | Confident | 62 Ų | 62 | 112.5 Ų | 112.5 | 43% | 0.434 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.3 | -44.3 | 171.6 | -61.8 | 0 | 0 | 0 | 0 | 112 | E121 R122 R127 Q128 K129 | E121-S125 WeakPolarHBondContact O-CB 3.28Å; E121-S125 PolarHBondContact O-N 3.34Å; E121-S125 PolarHBondContact O-OG 2.9Å; R122-S125 PolarHBondContact O-N 3.31Å; S125-R127 VanDerWaalsContact C-N 3.29Å; S125-R127 PolarHBondContact O-N 2.91Å; S125-Q128 PolarHBondContact O-N 3.41Å; S125-K129 WeakPolarHBondContact O-CB 3.48Å; S125-K129 PolarHBondContact O-N 3.46Å |
| 126 | L | 87.9 | Confident | 79.8 | Confident | 100 Ų | 100 | 114.5 Ų | 114.5 | 52% | 0.524 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.3 | -27 | 174.2 | -70.3 | 170.4 | 0 | 0 | 0 | 112.7 | R122 E123 E124 R130 | R122-L126 HydrophobicContact CG-CD1 4.49Å; R122-L126 WeakPolarHBondContact O-CG 3.37Å; R122-L126 PolarHBondContact O-N 3.23Å; E123-L126 CarbonylContact O-C 3.6Å; E123-L126 PolarHBondContact O-N 3.44Å; E124-L126 PolarHBondContact O-N 2.94Å; L126-R130 WeakPolarHBondContact O-CB 3.41Å; L126-R130 VanDerWaalsContact O-CG 3.28Å; L126-R130 WeakPolarHBondContact O-CG 3.28Å; L126-R130 PolarHBondContact O-N 3.28Å; L126-R130 PolarHBondContact O-NE 2.7Å |
| 127 | R | 84.1 | Confident | 80.4 | Confident | 158 Ų | 158 | 115.6 Ų | 115.6 | 60% | 0.596 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -74.5 | -43.9 | 173.4 | -174.9 | -178.4 | 175.4 | -158.6 | -2.8 | 111.2 | E123 E124 S125 R130 L131 | E123-R127 WeakPolarHBondContact O-CB 3.47Å; E123-R127 PolarHBondContact O-N 2.89Å; E124-R127 CarbonylContact O-C 3.54Å; E124-R127 WeakPolarHBondContact O-CA 3.23Å; E124-R127 WeakPolarHBondContact O-CB 3.5Å; E124-R127 PolarHBondContact O-N 3.42Å; S125-R127 VanDerWaalsContact C-N 3.29Å; S125-R127 PolarHBondContact O-N 2.91Å; R127-R130 PolarHBondContact O-N 3.26Å; R127-L131 HydrophobicContact CG-CD1 4.49Å; R127-L131 WeakPolarHBondContact O-CG 3.44Å; R127-L131 PolarHBondContact O-N 3.29Å; R127-L131 VanDerWaalsContact O-N 3.09Å |
| 128 | Q | 87.7 | Confident | 81.2 | Confident | 125 Ų | 125 | 112.3 Ų | 112.3 | 58% | 0.584 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.1 | -48.3 | 174.6 | -73.1 | 176.3 | -5.1 | 0 | 0 | 111 | E124 S125 R130 L131 S132 | E124-Q128 WeakPolarHBondContact O-CG 3.37Å; E124-Q128 PolarHBondContact O-N 3.29Å; S125-Q128 PolarHBondContact O-N 3.41Å; Q128-R130 VanDerWaalsContact C-N 3.27Å; Q128-R130 PolarHBondContact O-N 3.47Å; Q128-L131 WeakPolarHBondContact O-CA 3.43Å; Q128-L131 WeakPolarHBondContact O-CB 3.46Å; Q128-L131 PolarHBondContact O-N 3.28Å; Q128-S132 PolarHBondContact O-N 3.19Å; Q128-S132 PolarHBondContact O-OG 2.97Å |
| 129 | K | 88.8 | Confident | 81.9 | Confident | 154 Ų | 154 | 113.8 Ų | 113.8 | 67% | 0.67 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -54.8 | -41.5 | 175.5 | -170.1 | 170.9 | -176.3 | 173.2 | 0 | 112.5 | S125 L131 E133 | S125-K129 WeakPolarHBondContact O-CB 3.48Å; S125-K129 PolarHBondContact O-N 3.46Å; K129-L131 VanDerWaalsContact C-N 3.3Å; K129-L131 PolarHBondContact O-N 2.99Å; K129-E133 VanDerWaalsContact O-CB 3.22Å; K129-E133 WeakPolarHBondContact O-CB 3.24Å; K129-E133 PolarHBondContact O-N 3.18Å |
| 130 | R | 88.3 | Confident | 82.2 | Confident | 118 Ų | 118 | 115.1 Ų | 115.1 | 45% | 0.445 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -71.9 | -15.6 | 174.1 | -74.2 | 178.8 | -65.8 | 172.5 | -1.2 | 114.6 | L126 R127 Q128 R134 | L126-R130 WeakPolarHBondContact O-CB 3.41Å; L126-R130 VanDerWaalsContact O-CG 3.28Å; L126-R130 WeakPolarHBondContact O-CG 3.28Å; L126-R130 PolarHBondContact O-N 3.28Å; L126-R130 PolarHBondContact O-NE 2.7Å; R127-R130 PolarHBondContact O-N 3.26Å; Q128-R130 VanDerWaalsContact C-N 3.27Å; Q128-R130 PolarHBondContact O-N 3.47Å; R130-R134 WeakPolarHBondContact O-CD 3.3Å; R130-R134 VanDerWaalsContact O-CG 3.24Å; R130-R134 WeakPolarHBondContact O-CG 3.41Å; R130-R134 PolarHBondContact O-NH1 2.7Å |
| 131 | L | 87.3 | Confident | 82.1 | Confident | 87 Ų | 87 | 111.1 Ų | 111.1 | 46% | 0.455 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -85.9 | -51.9 | 172.4 | -72.1 | 167.5 | 0 | 0 | 0 | 109.9 | R127 Q128 K129 E133 R134 E135 | R127-L131 HydrophobicContact CG-CD1 4.49Å; R127-L131 WeakPolarHBondContact O-CG 3.44Å; R127-L131 PolarHBondContact O-N 3.29Å; R127-L131 VanDerWaalsContact O-N 3.09Å; Q128-L131 WeakPolarHBondContact O-CA 3.43Å; Q128-L131 WeakPolarHBondContact O-CB 3.46Å; Q128-L131 PolarHBondContact O-N 3.28Å; K129-L131 VanDerWaalsContact C-N 3.3Å; K129-L131 PolarHBondContact O-N 2.99Å; L131-E133 VanDerWaalsContact C-N 3.25Å; L131-E133 PolarHBondContact O-N 3.06Å; L131-R134 WeakPolarHBondContact O-CA 3.47Å; L131-R134 WeakPolarHBondContact O-CB 3.38Å; L131-R134 PolarHBondContact O-N 3.4Å; L131-E135 PolarHBondContact O-N 3.22Å |
| 132 | S | 85.8 | Confident | 81.8 | Confident | 66 Ų | 66 | 107.6 Ų | 107.6 | 46% | 0.462 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60 | -33.9 | 175.7 | -51.5 | 0 | 0 | 0 | 0 | 112.6 | Q128 E135 R136 | Q128-S132 PolarHBondContact O-N 3.19Å; Q128-S132 PolarHBondContact O-OG 2.97Å; S132-E135 PolarHBondContact O-N 2.83Å; S132-R136 VanDerWaalsContact O-CB 3.31Å; S132-R136 WeakPolarHBondContact O-CB 3.42Å; S132-R136 PolarHBondContact O-N 2.86Å |
| 133 | E | 82.8 | Confident | 81.2 | Confident | 100 Ų | 100 | 102.9 Ų | 102.9 | 47% | 0.467 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.1 | -34.9 | 172.9 | -174.7 | 172.8 | -154.7 | 0 | 0 | 112.6 | K129 L131 I137 | K129-E133 VanDerWaalsContact O-CB 3.22Å; K129-E133 WeakPolarHBondContact O-CB 3.24Å; K129-E133 PolarHBondContact O-N 3.18Å; L131-E133 VanDerWaalsContact C-N 3.25Å; L131-E133 PolarHBondContact O-N 3.06Å; E133-I137 HydrophobicContact CG-CD1 4.05Å; E133-I137 WeakPolarHBondContact O-CB 3.33Å; E133-I137 VanDerWaalsContact O-CD1 3.31Å; E133-I137 WeakPolarHBondContact O-CD1 3.29Å; E133-I137 WeakPolarHBondContact O-CG1 3.27Å; E133-I137 PolarHBondContact O-N 3.45Å |
| 134 | R | 83.2 | Confident | 80.6 | Confident | 157 Ų | 157 | 106.1 Ų | 106.1 | 59% | 0.592 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -72.7 | -36.6 | 174.1 | -72.3 | 172.6 | -172.9 | 132.6 | -0.8 | 112.4 | R130 L131 I137 G138 | R130-R134 WeakPolarHBondContact O-CD 3.3Å; R130-R134 VanDerWaalsContact O-CG 3.24Å; R130-R134 WeakPolarHBondContact O-CG 3.41Å; R130-R134 PolarHBondContact O-NH1 2.7Å; L131-R134 WeakPolarHBondContact O-CA 3.47Å; L131-R134 WeakPolarHBondContact O-CB 3.38Å; L131-R134 PolarHBondContact O-N 3.4Å; R134-I137 PolarHBondContact O-N 3.47Å; R134-G138 PolarHBondContact O-N 3.47Å |
| 135 | E | 84 | Confident | 80 | Confident | 120 Ų | 120 | 106.3 Ų | 106.3 | 56% | 0.561 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.6 | -52.8 | 174.1 | -175.4 | 167.5 | -141.6 | 0 | 0 | 110 | L131 S132 I137 G138 E139 | L131-E135 PolarHBondContact O-N 3.22Å; S132-E135 PolarHBondContact O-N 2.83Å; E135-I137 VanDerWaalsContact C-N 3.29Å; E135-I137 PolarHBondContact O-N 2.89Å; E135-G138 CarbonylContact O-C 3.53Å; E135-G138 VanDerWaalsContact O-CA 3.3Å; E135-G138 WeakPolarHBondContact O-CA 3.29Å; E135-G138 PolarHBondContact O-N 3.15Å; E135-E139 WeakPolarHBondContact O-CG 3.47Å; E135-E139 PolarHBondContact O-N 2.72Å |
| 136 | R | 85 | Confident | 79.4 | Confident | 126 Ų | 126 | 113.9 Ų | 113.9 | 48% | 0.475 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -55.4 | -39 | 172.8 | -168.8 | -165.1 | 71.3 | 87.4 | 0.5 | 113.4 | S132 G138 L140 | S132-R136 VanDerWaalsContact O-CB 3.31Å; S132-R136 WeakPolarHBondContact O-CB 3.42Å; S132-R136 PolarHBondContact O-N 2.86Å; R136-G138 VanDerWaalsContact C-N 3.33Å; R136-L140 HydrophobicContact CG-CD1 3.85Å; R136-L140 HydrophobicContact CG-CG 4.44Å; R136-L140 VanDerWaalsContact NH1-CD1 3.34Å; R136-L140 WeakPolarHBondContact O-CB 3.46Å; R136-L140 WeakPolarHBondContact O-CG 3.19Å; R136-L140 PolarHBondContact O-N 3.07Å |
| 137 | I | 80.1 | Confident | 78.5 | Confident | 83 Ų | 83 | 111.2 Ų | 111.2 | 43% | 0.426 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -71.7 | -27.2 | 174.6 | -71 | 164.9 | 0 | 0 | 0 | 111.7 | E133 R134 E135 G141 | E133-I137 HydrophobicContact CG-CD1 4.05Å; E133-I137 WeakPolarHBondContact O-CB 3.33Å; E133-I137 VanDerWaalsContact O-CD1 3.31Å; E133-I137 WeakPolarHBondContact O-CD1 3.29Å; E133-I137 WeakPolarHBondContact O-CG1 3.27Å; E133-I137 PolarHBondContact O-N 3.45Å; R134-I137 PolarHBondContact O-N 3.47Å; E135-I137 VanDerWaalsContact C-N 3.29Å; E135-I137 PolarHBondContact O-N 2.89Å; I137-G141 CarbonylContact O-C 3.48Å; I137-G141 WeakPolarHBondContact O-CA 3.45Å; I137-G141 PolarHBondContact O-N 3.39Å; I137-G141 VanDerWaalsContact O-N 3.11Å |
| 138 | G | 76 | Confident | 78 | Confident | 62 Ų | 62 | 111.3 Ų | 111.3 | 64% | 0.639 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -72.3 | -44 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R134 E135 R136 | R134-G138 PolarHBondContact O-N 3.47Å; E135-G138 CarbonylContact O-C 3.53Å; E135-G138 VanDerWaalsContact O-CA 3.3Å; E135-G138 WeakPolarHBondContact O-CA 3.29Å; E135-G138 PolarHBondContact O-N 3.15Å; R136-G138 VanDerWaalsContact C-N 3.33Å |
| 139 | E | 77.9 | Confident | 77.3 | Confident | 149 Ų | 149 | 110.3 Ų | 110.3 | 70% | 0.696 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -69.1 | -53 | 179.7 | -68.7 | 177.8 | 153 | 0 | 0 | 112.8 | E135 G141 | E135-E139 WeakPolarHBondContact O-CG 3.47Å; E135-E139 PolarHBondContact O-N 2.72Å; E139-G141 PolarHBondContact O-N 3.14Å |
| 140 | L | 76.7 | Confident | 76.8 | Confident | 114 Ų | 114 | 108.5 Ų | 108.5 | 60% | 0.597 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -76.3 | -16 | 178.8 | -59.9 | 176.1 | 0 | 0 | 0 | 112.4 | R136 | R136-L140 HydrophobicContact CG-CD1 3.85Å; R136-L140 HydrophobicContact CG-CG 4.44Å; R136-L140 VanDerWaalsContact NH1-CD1 3.34Å; R136-L140 WeakPolarHBondContact O-CB 3.46Å; R136-L140 WeakPolarHBondContact O-CG 3.19Å; R136-L140 PolarHBondContact O-N 3.07Å |
| 141 | G | 73.4 | Confident | 75.9 | Confident | 35 Ų | 35 | 112.5 Ų | 112.5 | 36% | 0.361 | 60% | 0.6 | S | S | . | * | trans | 60.1 | -161.4 | -169.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | I137 E139 | I137-G141 CarbonylContact O-C 3.48Å; I137-G141 WeakPolarHBondContact O-CA 3.45Å; I137-G141 PolarHBondContact O-N 3.39Å; I137-G141 VanDerWaalsContact O-N 3.11Å; E139-G141 PolarHBondContact O-N 3.14Å | ||
| 142 | A | 69.7 | Low | 74.8 | Confident | 40 Ų | 40 | 115.5 Ų | 115.5 | 33% | 0.331 | 62% | 0.617 | S | S | . | * | trans | -138.4 | 66.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | E144 V145 W146 | A142-E144 PolarHBondContact O-N 3.43Å; A142-V145 HydrophobicContact CB-CB 4.21Å; A142-V145 HydrophobicContact CB-CG2 4.34Å; A142-V145 PolarHBondContact O-N 3.44Å; A142-W146 PolarHBondContact O-N 3.07Å | ||
| 143 | P | 63.8 | Low | 74.2 | Confident | 76 Ų | 76 | 117.6 Ų | 117.6 | 49% | 0.494 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -61.3 | -29.1 | -175.1 | 24.8 | -34.1 | 0 | 0 | 0 | 112.7 | V145 G147 | P143-V145 VanDerWaalsContact C-N 3.32Å; P143-V145 PolarHBondContact O-N 2.93Å; P143-G147 WeakPolarHBondContact O-CA 3.37Å; P143-G147 PolarHBondContact O-N 3.01Å |
| 144 | E | 64.9 | Low | 73.3 | Confident | 194 Ų | 194 | 121.3 Ų | 121.3 | 91% | 0.907 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -66.3 | -30.7 | 174.6 | -167.8 | 179.3 | -172 | 0 | 0 | 113.1 | A142 | A142-E144 PolarHBondContact O-N 3.43Å |
| 145 | V | 67 | Low | 72.6 | Confident | 107 Ų | 107 | 119.1 Ų | 119.1 | 65% | 0.648 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -93.3 | -35.2 | -177.1 | -178.8 | 0 | 0 | 0 | 0 | 112.3 | A142 P143 | A142-V145 HydrophobicContact CB-CB 4.21Å; A142-V145 HydrophobicContact CB-CG2 4.34Å; A142-V145 PolarHBondContact O-N 3.44Å; P143-V145 VanDerWaalsContact C-N 3.32Å; P143-V145 PolarHBondContact O-N 2.93Å |
| 146 | W | 72.3 | Confident | 70.7 | Confident | 220 Ų | 220 | 121 Ų | 121 | 83% | 0.833 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -112 | -10.8 | -172.4 | -65 | 103.1 | 0 | 0 | 0 | 114.8 | A142 | A142-W146 PolarHBondContact O-N 3.07Å |
| 147 | G | 69.9 | Low | 69.5 | Low | 45 Ų | 45 | 120.6 Ų | 120.6 | 46% | 0.464 | 68% | 0.683 | S | S | . | * | trans | 71.8 | 166.7 | -173 | 0 | 0 | 0 | 0 | 0 | 112.9 | P143 | P143-G147 WeakPolarHBondContact O-CA 3.37Å; P143-G147 PolarHBondContact O-N 3.01Å | ||
| 148 | L | 73.4 | Confident | 68.5 | Low | 159 Ų | 159 | 123.1 Ų | 123.1 | 83% | 0.832 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 139.7 | 166.4 | -64.2 | 177 | 0 | 0 | 0 | 109.3 | ||
| 149 | S | 73.1 | Confident | 67.4 | Low | 104 Ų | 104 | 129 Ų | 129 | 73% | 0.727 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 140.9 | 173.1 | -175.3 | 0 | 0 | 0 | 0 | 109.8 | K151 | S149-K151 PolarHBondContact O-N 2.88Š|
| 150 | P | 77.4 | Confident | 65.7 | Low | 117 Ų | 117 | 130.8 Ų | 130.8 | 76% | 0.76 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 131 | 174.3 | -26.2 | 34.7 | 0 | 0 | 0 | 110.7 | N152 | P150-N152 PolarHBondContact O-N 3.31Š|
| 151 | K | 70.6 | Confident | 64.2 | Low | 202 Ų | 202 | 131.1 Ų | 131.1 | 88% | 0.878 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 138.1 | 171.1 | -67 | -175.6 | 177.1 | -174.9 | 0 | 108.3 | S149 | S149-K151 PolarHBondContact O-N 2.88Š|
| 152 | N | 64.6 | Low | 62.7 | Low | 150 Ų | 150 | 134.7 Ų | 134.7 | 80% | 0.802 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 137.6 | 173.5 | -146.7 | 37 | 0 | 0 | 0 | 107.9 | P150 E154 | P150-N152 PolarHBondContact O-N 3.31Å; N152-E154 PolarHBondContact O-N 3.36Å |
| 153 | P | 71.3 | Confident | 61.7 | Low | 109 Ų | 109 | 138.8 Ų | 138.8 | 71% | 0.708 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 139.5 | 173.6 | 26.7 | -33.5 | 0 | 0 | 0 | 109.3 | ||
| 154 | E | 65.8 | Low | 60.7 | Low | 179 Ų | 179 | 143.9 Ų | 143.9 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 144.4 | 174.5 | -70.3 | 170.8 | 177.2 | 0 | 0 | 109.6 | N152 D156 | N152-E154 PolarHBondContact O-N 3.36Å; E154-D156 PolarHBondContact O-N 3.08Å |
| 155 | P | 66.8 | Low | 59.9 | Low | 110 Ų | 110 | 141.4 Ų | 141.4 | 71% | 0.714 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 132.4 | 177.3 | 27.4 | -33 | 0 | 0 | 0 | 110.5 | S157 | P155-S157 PolarHBondContact O-N 2.85Å; P155-S157 VanDerWaalsContact O-N 3.13Å; P155-S157 PolarHBondContact O-OG 3.46Å |
| 156 | D | 46 | Very low | 58.6 | Low | 160 Ų | 160 | 144.6 Ų | 144.6 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | trans | -62 | 111.5 | -177.1 | -140.2 | -9 | 0 | 0 | 0 | 109.7 | E154 D158 | E154-D156 PolarHBondContact O-N 3.08Å; D156-D158 PolarHBondContact O-N 3.5Å | ||
| 157 | S | 59.1 | Low | 56.9 | Low | 118 Ų | 118 | 142.3 Ų | 142.3 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | trans | -94.5 | 60.4 | -170.6 | -63.6 | 0 | 0 | 0 | 0 | 111.8 | P155 | P155-S157 PolarHBondContact O-N 2.85Å; P155-S157 VanDerWaalsContact O-N 3.13Å; P155-S157 PolarHBondContact O-OG 3.46Å | ||
| 158 | D | 57.8 | Low | 56.1 | Low | 135 Ų | 135 | 144.9 Ų | 144.9 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | trans | -141.2 | 28.9 | 178.4 | -159 | 26.5 | 0 | 0 | 0 | 113.3 | D156 | D156-D158 PolarHBondContact O-N 3.5Š| ||
| 159 | E | 54.3 | Low | 54.2 | Low | 187 Ų | 187 | 147.7 Ų | 147.7 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | trans | -114.2 | 41.2 | 174.6 | -159.2 | 166 | -162.4 | 0 | 0 | 111.8 | ||||
| 160 | H | 41.9 | Very low | 52.3 | Low | 185 Ų | 185 | 152.1 Ų | 152.1 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | trans | -149.2 | 64.8 | 170.9 | -106.8 | -45.1 | 0 | 0 | 0 | 113.1 | ||||
| 161 | T | 44.4 | Very low | 50.3 | Low | 121 Ų | 121 | 151.5 Ų | 151.5 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | trans | -97.6 | 115 | 152.8 | 46.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 162 | P | 42.6 | Very low | 48.4 | Very low | 110 Ų | 110 | 147.8 Ų | 147.8 | 71% | 0.714 | 79% | 0.79 | S | S | * | * | trans | -68.7 | 142.1 | 178.6 | 27.4 | -32.8 | 0 | 0 | 0 | 111 | ||||
| 163 | V | 48.8 | Very low | 46.8 | Very low | 126 Ų | 126 | 146.7 Ų | 146.7 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | trans | -73.3 | 121.2 | 166 | 172.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 164 | E | 43.6 | Very low | 44.8 | Very low | 184 Ų | 184 | 146.8 Ų | 146.8 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | -112.1 | 124.5 | 160.2 | -70 | -117.9 | 118.3 | 0 | 0 | 107.9 | ||||
| 165 | D | 46.3 | Very low | 43.1 | Very low | 142 Ų | 142 | 142.4 Ų | 142.4 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | trans | -74.7 | 158.6 | 168.3 | -69.9 | -67.1 | 0 | 0 | 0 | 110.6 | ||||
| 166 | E | 39.9 | Very low | 41.3 | Very low | 174 Ų | 174 | 142.4 Ų | 142.4 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | trans | 175 | 99.7 | 143 | -96.6 | -57.3 | 145.6 | 0 | 0 | 111 | ||||
| 167 | E | 37.7 | Very low | 40.6 | Very low | 172 Ų | 172 | 140.5 Ų | 140.5 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | 45.4 | 155.9 | 139.7 | -75.1 | -86.4 | 117.5 | 0 | 0 | 124.5 | ||||
| 168 | P | 52.7 | Low | 39.1 | Very low | 99 Ų | 99 | 139.4 Ų | 139.4 | 64% | 0.643 | 78% | 0.776 | S | S | * | * | trans | -106.1 | 147.3 | -159.1 | 39.2 | -32.7 | 0 | 0 | 0 | 115.8 | ||||
| 169 | K | 34.3 | Very low | 37.8 | Very low | 217 Ų | 217 | 141.8 Ų | 141.8 | 94% | 0.943 | 78% | 0.782 | S | S | * | * | trans | -134.8 | 153 | 166.7 | -70.3 | -175.4 | -178.5 | 163.8 | 0 | 114.2 | ||||
| 170 | K | 32.3 | Very low | 36.7 | Very low | 197 Ų | 197 | 140.5 Ų | 140.5 | 86% | 0.857 | 78% | 0.776 | S | S | * | * | trans | -90.4 | 160.3 | -158.6 | -68.2 | 172.1 | 172.1 | 171.9 | 0 | 115.2 | ||||
| 171 | S | 34.7 | Very low | 36.2 | Very low | 105 Ų | 105 | 137.3 Ų | 137.3 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | trans | 61.2 | 123.1 | 137.9 | 60.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 172 | T | 31.5 | Very low | 35.6 | Very low | 124 Ų | 124 | 138.2 Ų | 138.2 | 76% | 0.761 | 76% | 0.756 | S | S | * | * | -173.6 | 117 | 116.6 | 29.5 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 173 | T | 30.4 | Very low | 35.2 | Very low | 126 Ų | 126 | 143.3 Ų | 143.3 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | 42.7 | 123.1 | 103.4 | 62.1 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 174 | S | 30.4 | Very low | 34.5 | Very low | 111 Ų | 111 | 145.7 Ų | 145.7 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | cis | -171.2 | 155.7 | 32.4 | 47.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 175 | A | 29.7 | Very low | 34 | Very low | 88 Ų | 88 | 145.5 Ų | 145.5 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | 49 | 140.4 | 134.6 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 176 | S | 28.5 | Very low | 33.3 | Very low | 109 Ų | 109 | 147.8 Ų | 147.8 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | trans | 83.4 | 147.3 | 154.6 | -60.7 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 177 | T | 31.2 | Very low | 32.9 | Very low | 120 Ų | 120 | 149.4 Ų | 149.4 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | cis | -153.6 | 122.6 | -11.2 | 14.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 178 | S | 28 | Very low | 32.7 | Very low | 96 Ų | 96 | 146.4 Ų | 146.4 | 67% | 0.671 | 77% | 0.769 | S | S | * | * | trans | 25.7 | 130.2 | 130.1 | 65.7 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 179 | E | 29.9 | Very low | 31.7 | Very low | 184 Ų | 184 | 147.2 Ų | 147.2 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | trans | 65.9 | 157.3 | 151.4 | -53.2 | -153.2 | 116.3 | 0 | 0 | 117.9 | ||||
| 180 | E | 31.5 | Very low | 31.7 | Very low | 160 Ų | 160 | 145.2 Ų | 145.2 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | cis | -146.1 | 164.5 | 16.3 | -144 | -149.1 | 119.9 | 0 | 0 | 114.8 | ||||
| 181 | E | 33 | Very low | 31.9 | Very low | 118 Ų | 118 | 139.2 Ų | 139.2 | 55% | 0.551 | 75% | 0.753 | S | S | * | * | trans | -6.9 | 142.6 | 172.1 | -71.6 | -158.9 | 158 | 0 | 0 | 128.7 | ||||
| 182 | K | 31.3 | Very low | 32.5 | Very low | 141 Ų | 141 | 144.4 Ų | 144.4 | 61% | 0.613 | 76% | 0.762 | S | S | * | * | trans | 45.9 | 121.1 | 131.1 | -57.7 | 177.8 | -164.9 | 142.3 | 0 | 120.6 | ||||
| 183 | K | 33.6 | Very low | 32.7 | Very low | 217 Ų | 217 | 146.6 Ų | 146.6 | 94% | 0.943 | 76% | 0.764 | S | S | * | * | -140.7 | 133.3 | 123.2 | -110.2 | 162.3 | -165.7 | 170.1 | 0 | 112.4 | |||||
| 184 | K | 34.4 | Very low | 33.2 | Very low | 175 Ų | 175 | 152.5 Ų | 152.5 | 76% | 0.761 | 77% | 0.772 | S | S | * | * | trans | -93.6 | 142 | -171.1 | -81.4 | 174.4 | 177.3 | 166.4 | 0 | 113 | ||||
| 185 | K | 32.1 | Very low | 33.7 | Very low | 180 Ų | 180 | 152.7 Ų | 152.7 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | trans | 77.6 | 138.3 | 138.8 | -81.8 | 179.9 | 176.5 | -179.8 | 0 | 121.3 | ||||
| 186 | K | 31.4 | Very low | 34.3 | Very low | 190 Ų | 190 | 158 Ų | 158 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | trans | 75.9 | 99.7 | 154.8 | -66.2 | 170.7 | -179.8 | -177.6 | 0 | 118.5 | ||||
| 187 | K | 33.2 | Very low | 35 | Very low | 209 Ų | 209 | 162.7 Ų | 162.7 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | -163.2 | 123.7 | 98.7 | -101 | 166.6 | -174.2 | 175.5 | 0 | 111.5 | |||||
| 188 | S | 32.9 | Very low | 35.7 | Very low | 109 Ų | 109 | 168.7 Ų | 168.7 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | trans | -76.3 | 174.6 | 158 | 49.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 189 | S | 31.4 | Very low | 36.5 | Very low | 115 Ų | 115 | 175.9 Ų | 175.9 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | 80.9 | 74 | 172 | 75.9 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 190 | H | 34.6 | Very low | 37.2 | Very low | 175 Ų | 175 | 176.5 Ų | 176.5 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | trans | -139.6 | 107.8 | 130.5 | -145 | 58.9 | 0 | 0 | 0 | 114.1 | ||||
| 191 | S | 37 | Very low | 37.6 | Very low | 71 Ų | 71 | 179 Ų | 179 | 50% | 0.497 | 82% | 0.816 | S | S | . | * | trans | -26.1 | 132 | 158.9 | 35.5 | 0 | 0 | 0 | 0 | 115.9 | E193 | S191-E193 PolarHBondContact O-N 2.84Š| ||
| 192 | K | 45.8 | Very low | 38 | Very low | 215 Ų | 215 | 183.5 Ų | 183.5 | 94% | 0.935 | 83% | 0.834 | S | S | * | * | 53.9 | 38.7 | 78.5 | -72.7 | -172.2 | 175.8 | 172.5 | 0 | 115.9 | |||||
| 193 | E | 37.2 | Very low | 38.4 | Very low | 169 Ų | 169 | 182.4 Ų | 182.4 | 79% | 0.79 | 84% | 0.844 | S | S | * | * | trans | -134.9 | 73.9 | 171 | -166.1 | 160.2 | -154.4 | 0 | 0 | 114.8 | S191 | S191-E193 PolarHBondContact O-N 2.84Š| ||
| 194 | R | 40.7 | Very low | 38.9 | Very low | 251 Ų | 251 | 177.4 Ų | 177.4 | 95% | 0.947 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -150.7 | 2 | 162.2 | -121 | 173.4 | -174.2 | -166.8 | 0.6 | 117.7 | ||
| 195 | S | 39.9 | Very low | 39.3 | Very low | 114 Ų | 114 | 178.1 Ų | 178.1 | 80% | 0.797 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -106 | 25.5 | -171 | 58.4 | 0 | 0 | 0 | 0 | 116.4 | ||
| 196 | K | 43.1 | Very low | 39.7 | Very low | 199 Ų | 199 | 181 Ų | 181 | 87% | 0.865 | 85% | 0.845 | S | S | * | * | trans | -138.4 | 49 | -177.5 | -69.2 | -175.5 | -176.4 | 164.8 | 0 | 115.9 | ||||
| 197 | K | 42.9 | Very low | 40.5 | Very low | 208 Ų | 208 | 181 Ų | 181 | 90% | 0.904 | 85% | 0.846 | S | S | * | * | S | Bend | trans | -147.1 | 50.8 | 172.9 | -130.6 | 177.8 | -171.6 | 179.6 | 0 | 115.7 | ||
| 198 | R | 46 | Very low | 40.9 | Very low | 247 Ų | 247 | 179.1 Ų | 179.1 | 93% | 0.932 | 84% | 0.84 | S | S | * | * | trans | -155.6 | 38.4 | 174.1 | -127.2 | 172.8 | 177.3 | -145.8 | -4.5 | 118.8 | ||||
| 199 | R | 44.8 | Very low | 41.3 | Very low | 247 Ų | 247 | 183 Ų | 183 | 93% | 0.932 | 84% | 0.842 | S | S | * | * | trans | -144.2 | 73.1 | 169.2 | -75.4 | -164.4 | 171.5 | 173.8 | -2.2 | 115 | ||||
| 200 | K | 44.7 | Very low | 41.8 | Very low | 197 Ų | 197 | 186.1 Ų | 186.1 | 86% | 0.857 | 84% | 0.842 | S | S | * | * | trans | -153.8 | 154.6 | 153.6 | -77.8 | -158.1 | 179 | -179.2 | 0 | 109 | ||||
| 201 | K | 40.1 | Very low | 41.8 | Very low | 212 Ų | 212 | 188.2 Ų | 188.2 | 92% | 0.922 | 84% | 0.844 | S | S | * | * | trans | 71.8 | 125.3 | -153.3 | -50.7 | 177.8 | 179.7 | -174.6 | 0 | 109.7 | ||||
| 202 | K | 40.7 | Very low | 41.7 | Very low | 213 Ų | 213 | 190 Ų | 190 | 93% | 0.926 | 86% | 0.857 | S | S | * | * | cis | -123.6 | 146.6 | 7.2 | -60.1 | 170.9 | 178.9 | 176.3 | 0 | 110.1 | ||||
| 203 | S | 40.7 | Very low | 41.2 | Very low | 117 Ų | 117 | 188.2 Ų | 188.2 | 82% | 0.818 | 85% | 0.852 | S | S | * | * | trans | -132.3 | 125.9 | 167.2 | 57.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 204 | S | 43.7 | Very low | 41.1 | Very low | 112 Ų | 112 | 187.5 Ų | 187.5 | 78% | 0.783 | 85% | 0.853 | S | S | * | * | trans | -41.6 | 123.1 | -171.9 | 36 | 0 | 0 | 0 | 0 | 117.1 | R206 | S204-R206 PolarHBondContact O-N 3.28Š| ||
| 205 | K | 43.3 | Very low | 40.7 | Very low | 191 Ų | 191 | 181.3 Ų | 181.3 | 83% | 0.83 | 85% | 0.849 | S | S | * | * | trans | -81.7 | 79.9 | 165.2 | -172.1 | 171.6 | -177 | 175.6 | 0 | 109.5 | K207 | K205-K207 PolarHBondContact O-N 2.81Š| ||
| 206 | R | 40.1 | Very low | 40.9 | Very low | 239 Ų | 239 | 183.2 Ų | 183.2 | 90% | 0.902 | 85% | 0.85 | S | S | * | * | trans | -75.3 | 109.1 | 167.9 | -92.2 | -175.2 | 168.3 | 179 | -4.5 | 109.2 | S204 | S204-R206 PolarHBondContact O-N 3.28Š| ||
| 207 | K | 48 | Very low | 40.4 | Very low | 192 Ų | 192 | 179.4 Ų | 179.4 | 84% | 0.835 | 85% | 0.848 | S | S | * | * | trans | -69.9 | 133.1 | 169.3 | -65.3 | -179 | 177.5 | -178.3 | 0 | 108.9 | K205 | K205-K207 PolarHBondContact O-N 2.81Š| ||
| 208 | H | 42 | Very low | 40.3 | Very low | 169 Ų | 169 | 177.4 Ų | 177.4 | 78% | 0.782 | 85% | 0.847 | S | S | * | * | trans | -98.2 | 114.8 | 163.5 | -171.9 | -68.8 | 0 | 0 | 0 | 107.4 | K210 | H208-K210 PolarHBondContact O-N 3.4Š| ||
| 209 | K | 41.1 | Very low | 39.8 | Very low | 189 Ų | 189 | 170.9 Ų | 170.9 | 82% | 0.822 | 84% | 0.84 | S | S | * | * | trans | -71 | 123.4 | 174.5 | -161.4 | 173.4 | -175.9 | 179.9 | 0 | 107.6 | ||||
| 210 | K | 41.7 | Very low | 39.7 | Very low | 182 Ų | 182 | 167 Ų | 167 | 79% | 0.791 | 84% | 0.837 | S | S | * | * | trans | -125.1 | 134.9 | 167.4 | -130.9 | -169.4 | 178.9 | -161.6 | 0 | 106.1 | H208 | H208-K210 PolarHBondContact O-N 3.4Š| ||
| 211 | Y | 33.7 | Very low | 39.1 | Very low | 218 Ų | 218 | 162.2 Ų | 162.2 | 86% | 0.855 | 83% | 0.829 | S | S | * | * | trans | -66.3 | 142.7 | 172.5 | -89.5 | -109.8 | 0 | 0 | 0 | 110 | ||||
| 212 | S | 35.5 | Very low | 39.2 | Very low | 110 Ų | 110 | 161.4 Ų | 161.4 | 77% | 0.769 | 83% | 0.828 | S | S | * | * | trans | -153.7 | 130.8 | 153.7 | 50 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 213 | E | 35.3 | Very low | 39.1 | Very low | 177 Ų | 177 | 157 Ų | 157 | 83% | 0.827 | 82% | 0.82 | S | S | * | * | trans | -70.6 | 165.1 | 174.7 | -67.3 | 121.8 | 141.3 | 0 | 0 | 112.3 | ||||
| 214 | D | 34.8 | Very low | 39.6 | Very low | 153 Ų | 153 | 157.2 Ų | 157.2 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -46.5 | 138.9 | 176.2 | -83.8 | -110.7 | 0 | 0 | 0 | 115.5 | ||||
| 215 | S | 33.2 | Very low | 39.9 | Very low | 122 Ų | 122 | 157 Ų | 157 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | trans | -168.7 | 119.1 | 140.3 | -150.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 216 | D | 43.5 | Very low | 40.3 | Very low | 153 Ų | 153 | 151.5 Ų | 151.5 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -75.2 | 137 | 175 | -62.4 | -63.9 | 0 | 0 | 0 | 112.3 | ||||
| 217 | S | 32.8 | Very low | 41.1 | Very low | 119 Ų | 119 | 145.4 Ų | 145.4 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | -167.4 | 113.3 | 152.7 | -158.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 218 | D | 41.8 | Very low | 41.3 | Very low | 166 Ų | 166 | 140.2 Ų | 140.2 | 89% | 0.888 | 76% | 0.759 | S | S | * | * | trans | -73.4 | 132 | 170.2 | -78.1 | -61.7 | 0 | 0 | 0 | 111.3 | ||||
| 219 | S | 34.8 | Very low | 42.3 | Very low | 110 Ų | 110 | 137.5 Ų | 137.5 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | trans | -159.5 | 100.5 | 165.4 | -157.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 220 | D | 42.4 | Very low | 43.6 | Very low | 166 Ų | 166 | 133.1 Ų | 133.1 | 89% | 0.888 | 74% | 0.736 | S | S | * | * | trans | -67.4 | 128.1 | 172.8 | -77.9 | -53.9 | 0 | 0 | 0 | 111.5 | ||||
| 221 | S | 32.9 | Very low | 45 | Very low | 96 Ų | 96 | 129.5 Ų | 129.5 | 67% | 0.671 | 72% | 0.72 | S | S | * | * | trans | -147 | 96 | 161.8 | 52.2 | 0 | 0 | 0 | 0 | 111.4 | T223 | S221-T223 PolarHBondContact O-N 3.49Š| ||
| 222 | E | 41.6 | Very low | 46.7 | Very low | 196 Ų | 196 | 126.5 Ų | 126.5 | 92% | 0.916 | 71% | 0.708 | S | S | * | * | trans | -66.6 | 108.8 | 168.3 | -76.1 | -69.9 | 128.6 | 0 | 0 | 109.7 | ||||
| 223 | T | 39 | Very low | 48.4 | Very low | 121 Ų | 121 | 130.3 Ų | 130.3 | 74% | 0.742 | 71% | 0.705 | S | S | * | * | trans | -144.4 | 133.1 | 175.9 | 172.4 | 0 | 0 | 0 | 0 | 112.3 | S221 S225 | S221-T223 PolarHBondContact O-N 3.49Å; T223-S225 PolarHBondContact O-N 3.02Å | ||
| 224 | D | 49.9 | Very low | 50.3 | Low | 121 Ų | 121 | 124.2 Ų | 124.2 | 65% | 0.647 | 69% | 0.685 | S | S | * | * | trans | -57 | 111.1 | -158.7 | -172.5 | 1.4 | 0 | 0 | 0 | 115 | S226 | D224-S226 WeakPolarHBondContact OD1-CB 3.46Å; D224-S226 PolarHBondContact OD1-N 3.49Å; D224-S226 PolarHBondContact OD1-OG 2.99Å | ||
| 225 | S | 49.7 | Very low | 52.2 | Low | 108 Ų | 108 | 123.4 Ų | 123.4 | 76% | 0.755 | 67% | 0.674 | S | S | * | * | trans | -96 | 10 | 177.2 | -143.5 | 0 | 0 | 0 | 0 | 114 | T223 | T223-S225 PolarHBondContact O-N 3.02Š| ||
| 226 | S | 53.5 | Low | 54.2 | Low | 74 Ų | 74 | 124.6 Ų | 124.6 | 52% | 0.517 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -80.5 | -29 | -171.8 | -50.4 | 0 | 0 | 0 | 0 | 113.9 | D224 N230 | D224-S226 WeakPolarHBondContact OD1-CB 3.46Å; D224-S226 PolarHBondContact OD1-N 3.49Å; D224-S226 PolarHBondContact OD1-OG 2.99Å; S226-N230 PolarHBondContact O-ND2 3.31Å |
| 227 | D | 55.3 | Low | 55.9 | Low | 112 Ų | 112 | 120 Ų | 120 | 60% | 0.599 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -80.9 | -42.4 | -167.4 | -147.6 | -38.8 | 0 | 0 | 0 | 113.1 | D229 N230 K231 | D227-D229 VanDerWaalsContact C-N 3.29Å; D227-D229 PolarHBondContact O-N 2.83Å; D227-N230 PolarHBondContact O-N 3.12Å; D227-K231 WeakPolarHBondContact O-CB 3.5Å; D227-K231 PolarHBondContact O-N 3.44Å |
| 228 | E | 54 | Low | 58 | Low | 83 Ų | 83 | 121.2 Ų | 121.2 | 39% | 0.388 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -62 | -34.3 | 180 | -95.8 | -63.8 | 133.3 | 0 | 0 | 112.8 | K231 R232 | E228-K231 WeakPolarHBondContact O-CB 3.23Å; E228-K231 PolarHBondContact O-N 2.9Å; E228-K231 WeakPolarHBondContact OE1-CD 3.31Å; E228-K231 WeakPolarHBondContact OE1-CE 3.27Å; E228-K231 IonicContact OE1-NZ 2.58Å; E228-K231 PolarHBondContact OE1-NZ 2.81Å; E228-R232 WeakPolarHBondContact O-CB 3.1Å; E228-R232 WeakPolarHBondContact O-CD 3.18Å; E228-R232 WeakPolarHBondContact O-CG 3.08Å; E228-R232 PolarHBondContact O-N 3.03Å; E228-R232 IonicContact OE2-NE 3.05Å |
| 229 | D | 61.3 | Low | 59.7 | Low | 111 Ų | 111 | 121.4 Ų | 121.4 | 59% | 0.594 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -75.5 | -33.4 | 178.9 | -130.5 | 0.3 | 0 | 0 | 0 | 112.3 | D227 R232 R233 | D227-D229 VanDerWaalsContact C-N 3.29Å; D227-D229 PolarHBondContact O-N 2.83Å; D229-R232 PolarHBondContact O-N 3.27Å; D229-R233 VanDerWaalsContact O-CB 3.3Å; D229-R233 WeakPolarHBondContact O-CB 3.47Å; D229-R233 PolarHBondContact O-N 3.23Å |
| 230 | N | 68.3 | Low | 61.7 | Low | 98 Ų | 98 | 122.9 Ų | 122.9 | 52% | 0.524 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -63.1 | -43.9 | 168.4 | -88.4 | -43.8 | 0 | 0 | 0 | 111.8 | S226 D227 R232 R233 A234 | S226-N230 PolarHBondContact O-ND2 3.31Å; D227-N230 PolarHBondContact O-N 3.12Å; N230-R232 VanDerWaalsContact C-N 3.35Å; N230-R232 PolarHBondContact O-N 3.07Å; N230-R233 PolarHBondContact O-N 3.1Å; N230-A234 WeakPolarHBondContact O-CB 3.12Å; N230-A234 PolarHBondContact O-N 2.78Å |
| 231 | K | 71.3 | Confident | 63.3 | Low | 105 Ų | 105 | 119.3 Ų | 119.3 | 46% | 0.457 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -60.9 | -40.7 | 175.1 | -156.8 | -176.7 | -163.2 | 170 | 0 | 111.9 | D227 E228 K235 | D227-K231 WeakPolarHBondContact O-CB 3.5Å; D227-K231 PolarHBondContact O-N 3.44Å; E228-K231 WeakPolarHBondContact O-CB 3.23Å; E228-K231 PolarHBondContact O-N 2.9Å; E228-K231 WeakPolarHBondContact OE1-CD 3.31Å; E228-K231 WeakPolarHBondContact OE1-CE 3.27Å; E228-K231 IonicContact OE1-NZ 2.58Å; E228-K231 PolarHBondContact OE1-NZ 2.81Å; K231-K235 WeakPolarHBondContact O-CB 3.29Å; K231-K235 VanDerWaalsContact O-CG 3.3Å; K231-K235 WeakPolarHBondContact O-CG 3.45Å; K231-K235 PolarHBondContact O-N 2.86Å |
| 232 | R | 70.3 | Confident | 65.3 | Low | 155 Ų | 155 | 121.8 Ų | 121.8 | 59% | 0.585 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65 | -43.2 | 172.9 | -72.2 | 164.9 | -175.7 | -153.5 | -0.3 | 111.8 | E228 D229 N230 K235 K236 | E228-R232 WeakPolarHBondContact O-CB 3.1Å; E228-R232 WeakPolarHBondContact O-CD 3.18Å; E228-R232 WeakPolarHBondContact O-CG 3.08Å; E228-R232 PolarHBondContact O-N 3.03Å; E228-R232 IonicContact OE2-NE 3.05Å; D229-R232 PolarHBondContact O-N 3.27Å; N230-R232 VanDerWaalsContact C-N 3.35Å; N230-R232 PolarHBondContact O-N 3.07Å; R232-K235 PolarHBondContact O-N 3.48Å; R232-K236 WeakPolarHBondContact O-CB 2.98Å; R232-K236 PolarHBondContact O-N 2.82Å |
| 233 | R | 71.4 | Confident | 66.7 | Low | 191 Ų | 191 | 120.5 Ų | 120.5 | 72% | 0.721 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.5 | -42.2 | 177.2 | -164.8 | 173.3 | -178.5 | 179.6 | -1.3 | 111.9 | D229 N230 K236 A237 | D229-R233 VanDerWaalsContact O-CB 3.3Å; D229-R233 WeakPolarHBondContact O-CB 3.47Å; D229-R233 PolarHBondContact O-N 3.23Å; N230-R233 PolarHBondContact O-N 3.1Å; R233-K236 WeakPolarHBondContact O-CB 3.17Å; R233-K236 PolarHBondContact O-N 3.17Å; R233-A237 PolarHBondContact O-N 2.85Å |
| 234 | A | 75.4 | Confident | 68.3 | Low | 48 Ų | 48 | 122.3 Ų | 122.3 | 40% | 0.397 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.7 | -45.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | N230 K236 A237 K238 | N230-A234 WeakPolarHBondContact O-CB 3.12Å; N230-A234 PolarHBondContact O-N 2.78Å; A234-K236 VanDerWaalsContact C-N 3.29Å; A234-K236 PolarHBondContact O-N 3.23Å; A234-A237 PolarHBondContact O-N 3.35Å; A234-K238 PolarHBondContact O-N 2.95Å |
| 235 | K | 74.4 | Confident | 69.1 | Low | 136 Ų | 136 | 122.3 Ų | 122.3 | 59% | 0.591 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -57.3 | -41.7 | 172.6 | -74.4 | 170.3 | -178.3 | 173.7 | 0 | 111.5 | K231 R232 K239 | K231-K235 WeakPolarHBondContact O-CB 3.29Å; K231-K235 VanDerWaalsContact O-CG 3.3Å; K231-K235 WeakPolarHBondContact O-CG 3.45Å; K231-K235 PolarHBondContact O-N 2.86Å; R232-K235 PolarHBondContact O-N 3.48Å; K235-K239 PolarHBondContact O-N 3.23Å; K235-K239 VanDerWaalsContact O-N 3.1Å |
| 236 | K | 75.3 | Confident | 69.7 | Low | 148 Ų | 148 | 123.9 Ų | 123.9 | 64% | 0.643 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -67.9 | -34.8 | 177.3 | -160.1 | 171 | -171.4 | 170.7 | 0 | 112.7 | R232 R233 A234 K240 | R232-K236 WeakPolarHBondContact O-CB 2.98Å; R232-K236 PolarHBondContact O-N 2.82Å; R233-K236 WeakPolarHBondContact O-CB 3.17Å; R233-K236 PolarHBondContact O-N 3.17Å; A234-K236 VanDerWaalsContact C-N 3.29Å; A234-K236 PolarHBondContact O-N 3.23Å; K236-K240 WeakPolarHBondContact O-CG 3.19Å; K236-K240 PolarHBondContact O-N 2.97Å |
| 237 | A | 78.1 | Confident | 70 | Confident | 55 Ų | 55 | 129.3 Ų | 129.3 | 46% | 0.455 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67.1 | -52.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | R233 A234 K239 K240 E241 | R233-A237 PolarHBondContact O-N 2.85Å; A234-A237 PolarHBondContact O-N 3.35Å; A237-K239 VanDerWaalsContact C-N 3.25Å; A237-K239 PolarHBondContact O-N 2.7Å; A237-K240 WeakPolarHBondContact O-CB 3.4Å; A237-K240 PolarHBondContact O-N 2.72Å; A237-E241 PolarHBondContact O-N 2.89Å |
| 238 | K | 78.1 | Confident | 70.3 | Confident | 146 Ų | 146 | 127.2 Ų | 127.2 | 64% | 0.635 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -56.2 | -37.3 | 176.9 | -70.4 | -177 | 177.8 | -179.4 | 0 | 112.1 | A234 E241 K242 | A234-K238 PolarHBondContact O-N 2.95Å; K238-E241 PolarHBondContact O-N 3.17Å; K238-K242 PolarHBondContact O-N 3.39Å; K238-K242 VanDerWaalsContact O-N 3.1Å |
| 239 | K | 76.6 | Confident | 70.6 | Confident | 169 Ų | 169 | 130.8 Ų | 130.8 | 74% | 0.735 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -66.4 | -38.7 | 174.1 | -168.1 | 170.3 | -175.2 | 171.4 | 0 | 113.2 | K235 A237 K243 | K235-K239 PolarHBondContact O-N 3.23Å; K235-K239 VanDerWaalsContact O-N 3.1Å; A237-K239 VanDerWaalsContact C-N 3.25Å; A237-K239 PolarHBondContact O-N 2.7Å; K239-K243 PolarHBondContact O-N 3.18Å |
| 240 | K | 76.2 | Confident | 70.4 | Confident | 141 Ų | 141 | 133.1 Ų | 133.1 | 61% | 0.613 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -67.9 | -39.7 | 174.7 | -77.3 | 179.4 | 176 | -177.9 | 0 | 111.9 | K236 A237 K243 K244 | K236-K240 WeakPolarHBondContact O-CG 3.19Å; K236-K240 PolarHBondContact O-N 2.97Å; A237-K240 WeakPolarHBondContact O-CB 3.4Å; A237-K240 PolarHBondContact O-N 2.72Å; K240-K243 PolarHBondContact O-N 3.44Å; K240-K244 PolarHBondContact O-N 3.36Å; K240-K244 VanDerWaalsContact O-N 3.09Å |
| 241 | E | 77.3 | Confident | 69.7 | Low | 92 Ų | 92 | 136.6 Ų | 136.6 | 43% | 0.43 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -66.4 | -47.8 | -179.6 | -162.8 | -157.2 | 145.5 | 0 | 0 | 112.1 | A237 K238 K243 K244 K245 | A237-E241 PolarHBondContact O-N 2.89Å; K238-E241 PolarHBondContact O-N 3.17Å; E241-K243 VanDerWaalsContact C-N 3.27Å; E241-K243 PolarHBondContact O-N 3.38Å; E241-K244 WeakPolarHBondContact O-CB 3.2Å; E241-K244 PolarHBondContact O-N 2.62Å; E241-K245 PolarHBondContact O-N 3.1Å; E241-K245 WeakPolarHBondContact OE1-CE 3.37Å; E241-K245 IonicContact OE1-NZ 3.76Å; E241-K245 PolarHBondContact OE1-NZ 3.13Å |
| 242 | K | 73.6 | Confident | 69.1 | Low | 147 Ų | 147 | 139.9 Ų | 139.9 | 64% | 0.639 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -53.8 | -44.3 | 172.9 | -72.6 | -172.7 | 178.2 | -172.1 | 0 | 111.2 | K238 K244 K245 H246 | K238-K242 PolarHBondContact O-N 3.39Å; K238-K242 VanDerWaalsContact O-N 3.1Å; K242-K244 VanDerWaalsContact C-N 3.34Å; K242-K244 PolarHBondContact O-N 3.12Å; K242-K245 PolarHBondContact O-N 3.07Å; K242-H246 PolarHBondContact O-CD2 3.35Å; K242-H246 PolarHBondContact O-N 3.39Å; K242-H246 VanDerWaalsContact O-N 3.1Å |
| 243 | K | 71.8 | Confident | 68.3 | Low | 169 Ų | 169 | 139.9 Ų | 139.9 | 74% | 0.735 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -62.6 | -34 | 176.7 | -168.8 | 169.5 | -178.8 | 173.2 | 0 | 113.4 | K239 K240 E241 R247 | K239-K243 PolarHBondContact O-N 3.18Å; K240-K243 PolarHBondContact O-N 3.44Å; E241-K243 VanDerWaalsContact C-N 3.27Å; E241-K243 PolarHBondContact O-N 3.38Å; K243-R247 PolarHBondContact O-N 3.17Å |
| 244 | K | 72.3 | Confident | 67.6 | Low | 160 Ų | 160 | 138.6 Ų | 138.6 | 70% | 0.696 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -67.2 | -45.2 | 171.7 | -71.8 | -175.6 | 177.5 | -175.2 | 0 | 111.7 | K240 E241 K242 H246 R247 S248 | K240-K244 PolarHBondContact O-N 3.36Å; K240-K244 VanDerWaalsContact O-N 3.09Å; E241-K244 WeakPolarHBondContact O-CB 3.2Å; E241-K244 PolarHBondContact O-N 2.62Å; K242-K244 VanDerWaalsContact C-N 3.34Å; K242-K244 PolarHBondContact O-N 3.12Å; K244-H246 VanDerWaalsContact C-N 3.35Å; K244-H246 PolarHBondContact O-N 3.47Å; K244-R247 PolarHBondContact O-N 3.4Å; K244-R247 VanDerWaalsContact O-N 3.07Å; K244-S248 PolarHBondContact O-N 3.36Å; K244-S248 VanDerWaalsContact O-N 3.13Å |
| 245 | K | 67.9 | Low | 66.5 | Low | 121 Ų | 121 | 144.6 Ų | 144.6 | 53% | 0.526 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -61.8 | -35.5 | 179.4 | -69.2 | -178 | -179.4 | 173.1 | 0 | 113.2 | E241 K242 S248 K249 | E241-K245 PolarHBondContact O-N 3.1Å; E241-K245 WeakPolarHBondContact OE1-CE 3.37Å; E241-K245 IonicContact OE1-NZ 3.76Å; E241-K245 PolarHBondContact OE1-NZ 3.13Å; K242-K245 PolarHBondContact O-N 3.07Å; K245-S248 PolarHBondContact O-OG 3.05Å; K245-S248 VanDerWaalsContact O-OG 3.1Å; K245-K249 WeakPolarHBondContact O-CG 3.41Å; K245-K249 PolarHBondContact O-N 3.2Å |
| 246 | H | 61.3 | Low | 65.5 | Low | 140 Ų | 140 | 141.4 Ų | 141.4 | 65% | 0.648 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -69.8 | -33.1 | 172.6 | -72.8 | -76.9 | 0 | 0 | 0 | 113.2 | K242 K244 K250 | K242-H246 PolarHBondContact O-CD2 3.35Å; K242-H246 PolarHBondContact O-N 3.39Å; K242-H246 VanDerWaalsContact O-N 3.1Å; K244-H246 VanDerWaalsContact C-N 3.35Å; K244-H246 PolarHBondContact O-N 3.47Å; H246-K250 PolarHBondContact O-N 3.45Å |
| 247 | R | 60.7 | Low | 64.5 | Low | 188 Ų | 188 | 142.2 Ų | 142.2 | 71% | 0.709 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -70.5 | -37.8 | 178.4 | -172.5 | 174.1 | 173.8 | 174.2 | -2.5 | 112.4 | K243 K244 K250 Y251 | K243-R247 PolarHBondContact O-N 3.17Å; K244-R247 PolarHBondContact O-N 3.4Å; K244-R247 VanDerWaalsContact O-N 3.07Å; R247-K250 PolarHBondContact O-N 3.23Å; R247-Y251 PolarHBondContact O-N 3.09Å |
| 248 | S | 59.9 | Low | 62.9 | Low | 69 Ų | 69 | 146.4 Ų | 146.4 | 48% | 0.483 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -70.6 | -40.4 | 177.2 | 59.2 | 0 | 0 | 0 | 0 | 112.7 | K244 K245 K250 Y251 K252 | K244-S248 PolarHBondContact O-N 3.36Å; K244-S248 VanDerWaalsContact O-N 3.13Å; K245-S248 PolarHBondContact O-OG 3.05Å; K245-S248 VanDerWaalsContact O-OG 3.1Å; S248-K250 VanDerWaalsContact C-N 3.29Å; S248-K250 PolarHBondContact O-N 3.24Å; S248-Y251 PolarHBondContact O-N 3.11Å; S248-Y251 VanDerWaalsContact O-N 3.12Å; S248-K252 PolarHBondContact O-N 3.44Å; S248-K252 VanDerWaalsContact O-N 3.17Å |
| 249 | K | 60.3 | Low | 61.5 | Low | 158 Ų | 158 | 143.7 Ų | 143.7 | 69% | 0.687 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -58.4 | -37.9 | 173.1 | -72 | -174.2 | 178.6 | -169.8 | 0 | 112.4 | K245 Y251 K253 | K245-K249 WeakPolarHBondContact O-CG 3.41Å; K245-K249 PolarHBondContact O-N 3.2Å; K249-Y251 VanDerWaalsContact C-N 3.33Å; K249-Y251 PolarHBondContact O-N 3.25Å; K249-K253 PolarHBondContact O-N 3.46Å |
| 250 | K | 57.9 | Low | 60.1 | Low | 159 Ų | 159 | 146.4 Ų | 146.4 | 69% | 0.691 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -66.7 | -29.5 | 176.4 | -167.5 | 170.9 | -176.6 | 173.7 | 0 | 113.4 | H246 R247 S248 | H246-K250 PolarHBondContact O-N 3.45Å; R247-K250 PolarHBondContact O-N 3.23Å; S248-K250 VanDerWaalsContact C-N 3.29Å; S248-K250 PolarHBondContact O-N 3.24Å |
| 251 | Y | 52.8 | Low | 58.7 | Low | 172 Ų | 172 | 148.6 Ų | 148.6 | 68% | 0.675 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -75.9 | -43.9 | 175.8 | -102.7 | -97.7 | 0 | 0 | 0 | 112.4 | R247 S248 K249 K253 K254 K255 | R247-Y251 PolarHBondContact O-N 3.09Å; S248-Y251 PolarHBondContact O-N 3.11Å; S248-Y251 VanDerWaalsContact O-N 3.12Å; K249-Y251 VanDerWaalsContact C-N 3.33Å; K249-Y251 PolarHBondContact O-N 3.25Å; Y251-K253 VanDerWaalsContact C-N 3.35Å; Y251-K253 PolarHBondContact O-N 2.88Å; Y251-K254 PolarHBondContact O-N 3.03Å; Y251-K254 VanDerWaalsContact O-N 3.09Å; Y251-K255 PolarHBondContact O-N 3.21Å |
| 252 | K | 58.3 | Low | 56.7 | Low | 174 Ų | 174 | 151.2 Ų | 151.2 | 76% | 0.757 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -60.1 | -40.3 | 178.8 | -72.7 | -166.4 | 172.4 | -168.6 | 0 | 112.7 | S248 K254 K255 | S248-K252 PolarHBondContact O-N 3.44Å; S248-K252 VanDerWaalsContact O-N 3.17Å; K252-K254 PolarHBondContact O-N 3.06Å; K252-K255 PolarHBondContact O-N 3.13Å |
| 253 | K | 55.1 | Low | 55.1 | Low | 154 Ų | 154 | 149 Ų | 149 | 67% | 0.67 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -67.1 | -15.1 | 176.7 | -168.7 | 166.6 | -177 | 171.6 | 0 | 114.5 | K249 Y251 | K249-K253 PolarHBondContact O-N 3.46Å; Y251-K253 VanDerWaalsContact C-N 3.35Å; Y251-K253 PolarHBondContact O-N 2.88Å |
| 254 | K | 56.6 | Low | 53.2 | Low | 164 Ų | 164 | 146.8 Ų | 146.8 | 71% | 0.713 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -85.7 | -30.9 | 172 | -80.7 | -159.9 | 170 | -161.3 | 0 | 113.1 | Y251 K252 | Y251-K254 PolarHBondContact O-N 3.03Å; Y251-K254 VanDerWaalsContact O-N 3.09Å; K252-K254 PolarHBondContact O-N 3.06Å |
| 255 | K | 51.7 | Low | 51.1 | Low | 175 Ų | 175 | 146.7 Ų | 146.7 | 76% | 0.761 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -71.2 | -42.9 | -179.4 | -158.3 | 179.9 | -177.9 | -172.3 | 0 | 111.7 | Y251 K252 K257 K258 | Y251-K255 PolarHBondContact O-N 3.21Å; K252-K255 PolarHBondContact O-N 3.13Å; K255-K257 PolarHBondContact O-N 3.09Å; K255-K258 PolarHBondContact O-N 3.4Å; K255-K258 VanDerWaalsContact O-N 3.11Å |
| 256 | S | 53.8 | Low | 49.4 | Very low | 68 Ų | 68 | 146 Ų | 146 | 48% | 0.476 | 70% | 0.701 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.9 | -12.9 | 179.3 | 60.9 | 0 | 0 | 0 | 0 | 115.3 | ||
| 257 | K | 54.3 | Low | 47.8 | Very low | 165 Ų | 165 | 144.6 Ų | 144.6 | 72% | 0.717 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -15 | 171.2 | -79.8 | -158.7 | 170.9 | -158.3 | 0 | 113.7 | K255 | K255-K257 PolarHBondContact O-N 3.09Š|
| 258 | K | 45.2 | Very low | 46.3 | Very low | 143 Ų | 143 | 140.3 Ų | 140.3 | 62% | 0.622 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -38.4 | 176.1 | -176.4 | 158.4 | 179.1 | 169.9 | 0 | 112.2 | K255 R260 K261 E262 | K255-K258 PolarHBondContact O-N 3.4Å; K255-K258 VanDerWaalsContact O-N 3.11Å; K258-R260 PolarHBondContact O-N 2.93Å; K258-K261 PolarHBondContact O-N 2.77Å; K258-E262 WeakPolarHBondContact CE-OE1 3.45Å; K258-E262 IonicContact NZ-OE1 3.07Å |
| 259 | S | 47.8 | Very low | 44.9 | Very low | 90 Ų | 90 | 146.9 Ų | 146.9 | 63% | 0.629 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | 8.8 | 178.9 | 64 | 0 | 0 | 0 | 0 | 115.6 | ||
| 260 | R | 48 | Very low | 43.4 | Very low | 225 Ų | 225 | 147.9 Ų | 147.9 | 85% | 0.849 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.3 | 10.6 | 178 | -105.6 | -168.7 | -178 | -166.7 | 0.2 | 113 | K258 | K258-R260 PolarHBondContact O-N 2.93Š|
| 261 | K | 45.2 | Very low | 42.3 | Very low | 187 Ų | 187 | 145.7 Ų | 145.7 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -130.3 | 18.4 | -176.7 | -153.1 | 175.6 | 176.9 | 178.3 | 0 | 113.4 | K258 | K258-K261 PolarHBondContact O-N 2.77Š|
| 262 | E | 36 | Very low | 41.1 | Very low | 148 Ų | 148 | 145 Ų | 145 | 69% | 0.692 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -132.9 | 33.2 | -177.3 | -64.8 | 175.9 | -163.7 | 0 | 0 | 110 | K258 | K258-E262 WeakPolarHBondContact CE-OE1 3.45Å; K258-E262 IonicContact NZ-OE1 3.07Å |
| 263 | S | 39.1 | Very low | 39.7 | Very low | 100 Ų | 100 | 143.5 Ų | 143.5 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | trans | -151.7 | 75 | 178.5 | 66.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 264 | S | 32.6 | Very low | 38.7 | Very low | 123 Ų | 123 | 144.2 Ų | 144.2 | 86% | 0.86 | 74% | 0.743 | S | S | * | * | trans | -163.3 | 89.6 | 164.4 | 56.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 265 | D | 29.4 | Very low | 37.3 | Very low | 157 Ų | 157 | 144.7 Ų | 144.7 | 84% | 0.84 | 75% | 0.745 | S | S | * | * | trans | -120.5 | 145.6 | 176.5 | -167.7 | -0.1 | 0 | 0 | 0 | 108.6 | ||||
| 266 | S | 31 | Very low | 36.3 | Very low | 106 Ų | 106 | 142.1 Ų | 142.1 | 74% | 0.741 | 74% | 0.739 | S | S | * | * | trans | 18.2 | 129 | 169.4 | -164 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 267 | S | 27.4 | Very low | 35.3 | Very low | 111 Ų | 111 | 146.8 Ų | 146.8 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | -169.8 | 122 | 125.4 | -172.2 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 268 | S | 30.4 | Very low | 34.5 | Very low | 99 Ų | 99 | 146 Ų | 146 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | trans | 21.1 | 131.4 | 145.7 | -167.2 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 269 | K | 30.3 | Very low | 34.8 | Very low | 206 Ų | 206 | 144.7 Ų | 144.7 | 90% | 0.896 | 76% | 0.763 | S | S | * | * | -163.7 | 143.3 | 112.5 | -109.1 | 177 | 179.9 | -173.7 | 0 | 115.1 | |||||
| 270 | E | 29.3 | Very low | 34.2 | Very low | 179 Ų | 179 | 151.5 Ų | 151.5 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | trans | -92.5 | -175.1 | 173.5 | -167.6 | 174.1 | 127.1 | 0 | 0 | 110.5 | ||||
| 271 | S | 33.7 | Very low | 33.6 | Very low | 113 Ų | 113 | 149.8 Ų | 149.8 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | trans | 85.2 | 139.5 | -175.2 | -48.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 272 | Q | 28.2 | Very low | 33.1 | Very low | 157 Ų | 157 | 148 Ų | 148 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | cis | -169.2 | 160.2 | 2.5 | 155.7 | 174.8 | 17.8 | 0 | 0 | 110.5 | ||||
| 273 | E | 28.2 | Very low | 33.3 | Very low | 143 Ų | 143 | 150.3 Ų | 150.3 | 67% | 0.668 | 78% | 0.775 | S | S | * | * | trans | 23 | 120.1 | 162 | -87 | 151.5 | 151.5 | 0 | 0 | 120.4 | ||||
| 274 | E | 34.9 | Very low | 33.4 | Very low | 170 Ų | 170 | 152.6 Ų | 152.6 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | 88.9 | 145.8 | 79.2 | -168.7 | 171.7 | -148 | 0 | 0 | 114.1 | |||||
| 275 | F | 26.8 | Very low | 33.6 | Very low | 174 Ų | 174 | 155.2 Ų | 155.2 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | trans | 103.9 | 119 | 158.4 | -145 | -127.9 | 0 | 0 | 0 | 118.7 | ||||
| 276 | L | 31.7 | Very low | 33.9 | Very low | 121 Ų | 121 | 152.6 Ų | 152.6 | 63% | 0.634 | 78% | 0.781 | S | S | * | * | trans | 70.6 | 141.7 | 167.1 | -50.4 | 179.3 | 0 | 0 | 0 | 119.8 | ||||
| 277 | E | 31.2 | Very low | 34.2 | Very low | 165 Ų | 165 | 156.4 Ų | 156.4 | 77% | 0.771 | 79% | 0.787 | S | S | * | * | cis | -166.4 | 134.1 | -27.3 | -165.5 | 164 | -161.1 | 0 | 0 | 107.1 | ||||
| 278 | N | 38.9 | Very low | 35.1 | Very low | 150 Ų | 150 | 158.7 Ų | 158.7 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | trans | -85.1 | 144.3 | 175.9 | -76.9 | 17.3 | 0 | 0 | 0 | 110.5 | ||||
| 279 | P | 50.5 | Low | 36.1 | Very low | 114 Ų | 114 | 159.8 Ų | 159.8 | 74% | 0.74 | 79% | 0.791 | S | S | * | * | -147.1 | 120 | 123.5 | 27.5 | -7.1 | 0 | 0 | 0 | 118.5 | |||||
| 280 | W | 35.3 | Very low | 37.2 | Very low | 234 Ų | 234 | 153.8 Ų | 153.8 | 89% | 0.886 | 77% | 0.774 | S | S | * | * | trans | 43.4 | 112.1 | 135.3 | -58.6 | 82.7 | 0 | 0 | 0 | 122.6 | ||||
| 281 | K | 36.4 | Very low | 38.5 | Very low | 189 Ų | 189 | 151.7 Ų | 151.7 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | 155.8 | 146.8 | 127.5 | -83.6 | 156.8 | -171.5 | 175.1 | 0 | 110.2 | |||||
| 282 | D | 32.8 | Very low | 39.8 | Very low | 148 Ų | 148 | 154 Ų | 154 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | cis | -144.2 | 161.6 | 4 | -129.5 | -38.2 | 0 | 0 | 0 | 111.6 | ||||
| 283 | R | 40.7 | Very low | 41.1 | Very low | 197 Ų | 197 | 154.5 Ų | 154.5 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | trans | -103.1 | 128.9 | -178.9 | -61.2 | 170 | 97.4 | -153.1 | 20.3 | 111.4 | ||||
| 284 | T | 40.6 | Very low | 43 | Very low | 148 Ų | 148 | 150.2 Ų | 150.2 | 91% | 0.908 | 77% | 0.772 | S | S | * | * | trans | -129.5 | 125.9 | 146.8 | 46.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 285 | K | 37.1 | Very low | 44.8 | Very low | 179 Ų | 179 | 148.4 Ų | 148.4 | 78% | 0.778 | 78% | 0.775 | S | S | * | * | trans | -106 | 135.3 | 179.5 | -80.1 | -171.6 | 168.9 | -162.7 | 0 | 110.1 | ||||
| 286 | A | 35.8 | Very low | 46.9 | Very low | 101 Ų | 101 | 146.9 Ų | 146.9 | 84% | 0.835 | 77% | 0.77 | S | S | * | * | trans | -172.1 | 132.3 | 143.3 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 287 | E | 38.6 | Very low | 48.3 | Very low | 186 Ų | 186 | 145 Ų | 145 | 87% | 0.869 | 77% | 0.772 | S | S | * | * | cis | -156 | 134.4 | -10.4 | -175.9 | 172.5 | -155.8 | 0 | 0 | 105.1 | ||||
| 288 | E | 44.9 | Very low | 49.6 | Very low | 160 Ų | 160 | 142.8 Ų | 142.8 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | trans | -86.3 | 152.6 | 179.6 | -88 | -149.6 | 147.5 | 0 | 0 | 111.4 | ||||
| 289 | P | 51.1 | Low | 50.6 | Low | 122 Ų | 122 | 142.9 Ų | 142.9 | 79% | 0.792 | 77% | 0.765 | S | S | * | * | -108 | 125.6 | 115.5 | 29.8 | -33.6 | 0 | 0 | 0 | 111.5 | |||||
| 290 | S | 55.2 | Low | 50.5 | Low | 79 Ų | 79 | 143.2 Ų | 143.2 | 55% | 0.552 | 77% | 0.765 | S | S | * | * | trans | -44.9 | 159.8 | 179.4 | 43.6 | 0 | 0 | 0 | 0 | 117 | ||||
| 291 | D | 56.3 | Low | 51.1 | Low | 135 Ų | 135 | 137.1 Ų | 137.1 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | trans | 87.3 | 46.9 | 163.8 | -54 | -27.2 | 0 | 0 | 0 | 118.6 | ||||
| 292 | L | 59.9 | Low | 51.7 | Low | 162 Ų | 162 | 133.2 Ų | 133.2 | 85% | 0.848 | 74% | 0.742 | S | S | * | * | trans | -113.4 | 60.9 | 157.1 | -84 | 143.2 | 0 | 0 | 0 | 111.7 | G294 | L292-G294 PolarHBondContact O-N 2.74Å; L292-G294 VanDerWaalsContact O-N 3.17Å | ||
| 293 | I | 56.7 | Low | 52.5 | Low | 167 Ų | 167 | 129.2 Ų | 129.2 | 86% | 0.856 | 73% | 0.725 | S | S | * | * | trans | -70 | 108 | 167.4 | -84.6 | 63.3 | 0 | 0 | 0 | 108.8 | ||||
| 294 | G | 68.3 | Low | 53 | Low | 54 Ų | 54 | 124.5 Ų | 124.5 | 56% | 0.557 | 71% | 0.712 | S | S | * | * | S | Bend | trans | 145.5 | 155.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | L292 E296 | L292-G294 PolarHBondContact O-N 2.74Å; L292-G294 VanDerWaalsContact O-N 3.17Å; G294-E296 PolarHBondContact O-N 2.88Å |
| 295 | P | 72.5 | Confident | 53.5 | Low | 131 Ų | 131 | 121.7 Ų | 121.7 | 85% | 0.851 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -60.6 | 132.8 | 173.1 | 26.3 | -33.5 | 0 | 0 | 0 | 110 | A297 | P295-A297 PolarHBondContact O-N 2.93Š|
| 296 | E | 69.6 | Low | 54.3 | Low | 143 Ų | 143 | 119.3 Ų | 119.3 | 67% | 0.668 | 69% | 0.687 | S | S | * | * | trans | -46 | 114.9 | -179 | -172.8 | -173.6 | -175.3 | 0 | 0 | 110.1 | G294 K299 | G294-E296 PolarHBondContact O-N 2.88Å; E296-K299 WeakPolarHBondContact OE1-CE 3.44Å; E296-K299 IonicContact OE1-NZ 3.24Å; E296-K299 PolarHBondContact OE1-NZ 2.91Å; E296-K299 IonicContact OE2-NZ 3.86Å | ||
| 297 | A | 62.3 | Low | 55.4 | Low | 81 Ų | 81 | 118.9 Ų | 118.9 | 67% | 0.669 | 67% | 0.666 | S | S | * | * | trans | -55.9 | 126.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | P295 K299 | P295-A297 PolarHBondContact O-N 2.93Å; A297-K299 PolarHBondContact O-N 3.16Å | ||
| 298 | P | 58.5 | Low | 56.4 | Low | 119 Ų | 119 | 116.1 Ų | 116.1 | 77% | 0.773 | 66% | 0.664 | S | S | * | * | trans | -59.2 | 112.7 | -166.9 | 21.6 | -33.4 | 0 | 0 | 0 | 109.7 | T300 | P298-T300 PolarHBondContact O-N 3.12Š| ||
| 299 | K | 60.3 | Low | 57.2 | Low | 151 Ų | 151 | 110.9 Ų | 110.9 | 66% | 0.657 | 64% | 0.641 | S | S | * | * | trans | -39.5 | 105.6 | -173 | -67.6 | 175.1 | -174.7 | 172.2 | 0 | 109.5 | E296 A297 L301 | E296-K299 WeakPolarHBondContact OE1-CE 3.44Å; E296-K299 IonicContact OE1-NZ 3.24Å; E296-K299 PolarHBondContact OE1-NZ 2.91Å; E296-K299 IonicContact OE2-NZ 3.86Å; A297-K299 PolarHBondContact O-N 3.16Å; K299-L301 PolarHBondContact O-N 3.22Å | ||
| 300 | T | 48.1 | Very low | 58.1 | Low | 122 Ų | 122 | 112 Ų | 112 | 75% | 0.748 | 64% | 0.641 | S | S | * | * | trans | -60.5 | 112.5 | -175.9 | 57.8 | 0 | 0 | 0 | 0 | 107.2 | P298 T302 | P298-T300 PolarHBondContact O-N 3.12Å; T300-T302 PolarHBondContact O-N 2.83Å | ||
| 301 | L | 48.2 | Very low | 58.9 | Low | 106 Ų | 106 | 109.6 Ų | 109.6 | 56% | 0.555 | 62% | 0.619 | S | S | * | * | trans | -67 | 85.1 | -173.7 | -70.1 | 161.6 | 0 | 0 | 0 | 108.8 | K299 S303 Q304 K307 | K299-L301 PolarHBondContact O-N 3.22Å; L301-S303 PolarHBondContact O-N 3.32Å; L301-Q304 PolarHBondContact O-N 3.43Å; L301-K307 VanDerWaalsContact CD1-NZ 3.35Å | ||
| 302 | T | 48.6 | Very low | 59.7 | Low | 107 Ų | 107 | 104.4 Ų | 104.4 | 66% | 0.656 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -62.1 | -31.3 | 171.9 | 42.3 | 0 | 0 | 0 | 0 | 110.1 | T300 Q304 | T300-T302 PolarHBondContact O-N 2.83Å; T302-Q304 VanDerWaalsContact C-N 3.31Å; T302-Q304 PolarHBondContact O-N 3.24Å |
| 303 | S | 49.1 | Very low | 60.4 | Low | 63 Ų | 63 | 105.9 Ų | 105.9 | 44% | 0.441 | 60% | 0.6 | S | S | . | * | trans | -83.2 | 63.2 | 164.6 | -46.9 | 0 | 0 | 0 | 0 | 112.3 | L301 D305 D306 | L301-S303 PolarHBondContact O-N 3.32Å; S303-D305 PolarHBondContact O-N 3.21Å; S303-D306 WeakPolarHBondContact CB-OD2 3.41Å | ||
| 304 | Q | 51.6 | Low | 61.2 | Low | 99 Ų | 99 | 100.8 Ų | 100.8 | 46% | 0.463 | 58% | 0.583 | S | S | . | * | G | 310 helix | trans | -65.1 | -15.3 | 158.8 | -83.5 | -95.7 | -21.8 | 0 | 0 | 111.3 | L301 T302 D306 | L301-Q304 PolarHBondContact O-N 3.43Å; T302-Q304 VanDerWaalsContact C-N 3.31Å; T302-Q304 PolarHBondContact O-N 3.24Å; Q304-D306 PolarHBondContact O-N 3.33Å |
| 305 | D | 51.9 | Low | 61.6 | Low | 89 Ų | 89 | 99 Ų | 99 | 48% | 0.476 | 56% | 0.561 | S | S | . | * | G | 310 helix | trans | -73.6 | -22.6 | -172.4 | -70.8 | -57 | 0 | 0 | 0 | 115.7 | S303 R382 | S303-D305 PolarHBondContact O-N 3.21Å; D305-R382 PolarHBondContact O-NH2 2.88Å; D305-R382 IonicContact OD1-CZ 3.65Å; D305-R382 IonicContact OD1-NE 3.89Å; D305-R382 PolarHBondContact OD1-NE 2.86Å; D305-R382 IonicContact OD1-NH2 3.61Å; D305-R382 PolarHBondContact OD1-NH2 2.81Å |
| 306 | D | 52.7 | Low | 61.7 | Low | 128 Ų | 128 | 98.6 Ų | 98.6 | 68% | 0.684 | 55% | 0.551 | S | S | * | * | G | 310 helix | trans | -100.2 | -0.6 | -176.7 | -54.9 | -48.6 | 0 | 0 | 0 | 113.4 | S303 Q304 | S303-D306 WeakPolarHBondContact CB-OD2 3.41Å; Q304-D306 PolarHBondContact O-N 3.33Å |
| 307 | K | 59.8 | Low | 62.1 | Low | 93 Ų | 93 | 98.2 Ų | 98.2 | 40% | 0.404 | 56% | 0.561 | S | S | . | * | S | Bend | trans | -65.8 | 130.6 | 174.3 | -75.2 | -174.5 | 176.5 | 179.6 | 0 | 109.2 | L301 L309 | L301-K307 VanDerWaalsContact CD1-NZ 3.35Å; K307-L309 PolarHBondContact O-N 3.39Å |
| 308 | P | 58.7 | Low | 62.8 | Low | 128 Ų | 128 | 97 Ų | 97 | 83% | 0.831 | 56% | 0.556 | S | S | * | * | trans | -60.6 | 103.5 | -179.6 | 23.6 | -33.3 | 0 | 0 | 0 | 109.4 | N310 | P308-N310 PolarHBondContact O-N 2.96Š| ||
| 309 | L | 62.8 | Low | 63.8 | Low | 49 Ų | 49 | 93.5 Ų | 93.5 | 26% | 0.257 | 53% | 0.529 | S | S | . | . | trans | -63.9 | 128.2 | -171.1 | -131.6 | 73.5 | 0 | 0 | 0 | 109.1 | K307 Y311 | K307-L309 PolarHBondContact O-N 3.39Å; L309-Y311 HydrophobicContact CB-CD2 3.94Å; L309-Y311 HydrophobicContact CB-CE1 4.08Å; L309-Y311 HydrophobicContact CB-CE2 3.44Å; L309-Y311 VanDerWaalsContact CB-CE2 3.44Å; L309-Y311 HydrophobicContact CB-CG 4.45Å; L309-Y311 HydrophobicContact CD2-CD1 4.27Å; L309-Y311 HydrophobicContact CD2-CE1 3.61Å; L309-Y311 HydrophobicContact CG-CE1 4.46Å; L309-Y311 WeakPolarHBondContact O-CD2 3.4Å; L309-Y311 PolarHBondContact O-N 3.37Å | ||
| 310 | N | 69.4 | Low | 64.8 | Low | 147 Ų | 147 | 86.5 Ų | 86.5 | 79% | 0.786 | 50% | 0.5 | S | S | * | . | trans | -78.2 | 78.8 | 172.4 | -169 | -17.5 | 0 | 0 | 0 | 108.9 | P308 G312 | P308-N310 PolarHBondContact O-N 2.96Å; N310-G312 PolarHBondContact O-N 3.46Å; N310-G312 WeakPolarHBondContact OD1-CA 3.27Å; N310-G312 PolarHBondContact OD1-N 3.11Å; N310-G312 VanDerWaalsContact OD1-N 3.14Å | ||
| 311 | Y | 71.6 | Confident | 66.3 | Low | 27 Ų | 27 | 83.1 Ų | 83.1 | 11% | 0.106 | 48% | 0.484 | C | S | . | . | trans | -59.8 | -0.6 | 174 | -63.9 | -78.4 | 0 | 0 | 0 | 113.2 | L309 G320 A321 A324 Q374 I375 A378 | L309-Y311 HydrophobicContact CB-CD2 3.94Å; L309-Y311 HydrophobicContact CB-CE1 4.08Å; L309-Y311 HydrophobicContact CB-CE2 3.44Å; L309-Y311 VanDerWaalsContact CB-CE2 3.44Å; L309-Y311 HydrophobicContact CB-CG 4.45Å; L309-Y311 HydrophobicContact CD2-CD1 4.27Å; L309-Y311 HydrophobicContact CD2-CE1 3.61Å; L309-Y311 HydrophobicContact CG-CE1 4.46Å; L309-Y311 WeakPolarHBondContact O-CD2 3.4Å; L309-Y311 PolarHBondContact O-N 3.37Å; Y311-G320 VanDerWaalsContact CD2-C 3.42Å; Y311-G320 VanDerWaalsContact CE2-C 3.44Å; Y311-A321 HydrophobicContact CE2-CB 4.18Å; Y311-A324 HydrophobicContact CE1-CB 3.8Å; Y311-A324 HydrophobicContact CE2-CB 4.44Å; Y311-A324 VanDerWaalsContact OH-CB 3.22Å; Y311-A324 WeakPolarHBondContact OH-CB 3.08Å; Y311-Q374 WeakPolarHBondContact O-CG 3.18Å; Y311-Q374 PolarHBondContact O-NE2 2.97Å; Y311-I375 HydrophobicContact CD1-CG1 4.45Å; Y311-I375 HydrophobicContact CE1-CG2 4.38Å; Y311-A378 HydrophobicContact CD1-CB 3.94Å; Y311-A378 HydrophobicContact CE1-CB 4.41Å | ||
| 312 | G | 73.1 | Confident | 67.8 | Low | 27 Ų | 27 | 80.5 Ų | 80.5 | 28% | 0.278 | 48% | 0.478 | S | S | . | . | trans | 95.9 | 157.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | N310 A314 L315 Q374 | N310-G312 PolarHBondContact O-N 3.46Å; N310-G312 WeakPolarHBondContact OD1-CA 3.27Å; N310-G312 PolarHBondContact OD1-N 3.11Å; N310-G312 VanDerWaalsContact OD1-N 3.14Å; G312-A314 PolarHBondContact O-N 2.91Å; G312-L315 PolarHBondContact O-N 3.46Å; G312-Q374 PolarHBondContact O-NE2 3.46Å; G312-Q374 VanDerWaalsContact O-NE2 3.09Å | ||
| 313 | H | 74.1 | Confident | 69 | Low | 193 Ų | 193 | 77 Ų | 77 | 89% | 0.894 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | 1.4 | -163.9 | -152.6 | -35.2 | 0 | 0 | 0 | 115.9 | ||
| 314 | A | 74.3 | Confident | 70.4 | Confident | 60 Ų | 60 | 74.3 Ų | 74.3 | 50% | 0.496 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -4.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | G312 | G312-A314 PolarHBondContact O-N 2.91Š|
| 315 | L | 76.1 | Confident | 71.9 | Confident | 16 Ų | 16 | 76.2 Ų | 76.2 | 8% | 0.084 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -107.8 | 151.7 | 169.7 | -59.6 | 177.9 | 0 | 0 | 0 | 109.2 | G312 E319 G320 M323 K371 I375 | G312-L315 PolarHBondContact O-N 3.46Å; L315-E319 WeakPolarHBondContact CA-OE2 3.4Å; L315-E319 HydrophobicContact CB-CB 4.31Å; L315-E319 HydrophobicContact CD2-CG 4.41Å; L315-G320 VanDerWaalsContact CD1-CA 3.49Å; L315-M323 HydrophobicContact CD2-SD 4.42Å; L315-K371 HydrophobicContact CD2-CB 3.92Å; L315-K371 HydrophobicContact CD2-CD 3.45Å; L315-K371 VanDerWaalsContact CD2-CD 3.45Å; L315-K371 HydrophobicContact CD2-CG 3.57Å; L315-I375 HydrophobicContact CD1-CD1 4.3Å; L315-I375 HydrophobicContact CD1-CG1 4Å |
| 316 | L | 75.6 | Confident | 73.1 | Confident | 123 Ų | 123 | 76.5 Ų | 76.5 | 64% | 0.644 | 44% | 0.441 | S | S | * | . | trans | -68.9 | 156.4 | 170.7 | -86.9 | 68.3 | 0 | 0 | 0 | 110.2 | G318 E319 | L316-G318 PolarHBondContact O-N 3.34Å; L316-E319 HydrophobicContact CB-CB 4.05Å; L316-E319 PolarHBondContact N-OE2 3.37Å; L316-E319 WeakPolarHBondContact O-CB 3.25Å; L316-E319 PolarHBondContact O-N 2.91Å | ||
| 317 | P | 78.3 | Confident | 74.4 | Confident | 134 Ų | 134 | 72 Ų | 72 | 87% | 0.87 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | 129.3 | 168.9 | -24.8 | 34.9 | 0 | 0 | 0 | 110.6 | E319 | P317-E319 VanDerWaalsContact C-N 3.26Å; P317-E319 PolarHBondContact O-N 3.03Å |
| 318 | G | 77.1 | Confident | 75.5 | Confident | 55 Ų | 55 | 76.7 Ų | 76.7 | 57% | 0.567 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.2 | -27.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | L316 G320 A321 A322 | L316-G318 PolarHBondContact O-N 3.34Å; G318-G320 PolarHBondContact O-N 3.3Å; G318-A321 PolarHBondContact O-N 3.29Å; G318-A322 PolarHBondContact O-N 2.92Å |
| 319 | E | 79.6 | Confident | 76.4 | Confident | 47 Ų | 47 | 73.5 Ų | 73.5 | 22% | 0.22 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -60.2 | -44.5 | -176.6 | -176.4 | -175.3 | -166.8 | 0 | 0 | 112 | L315 L316 P317 A321 M323 K371 | L315-E319 WeakPolarHBondContact CA-OE2 3.4Å; L315-E319 HydrophobicContact CB-CB 4.31Å; L315-E319 HydrophobicContact CD2-CG 4.41Å; L316-E319 HydrophobicContact CB-CB 4.05Å; L316-E319 PolarHBondContact N-OE2 3.37Å; L316-E319 WeakPolarHBondContact O-CB 3.25Å; L316-E319 PolarHBondContact O-N 2.91Å; P317-E319 VanDerWaalsContact C-N 3.26Å; P317-E319 PolarHBondContact O-N 3.03Å; E319-A321 PolarHBondContact O-N 3.44Å; E319-M323 HydrophobicContact CG-CE 3.75Å; E319-M323 HydrophobicContact CG-SD 4.18Å; E319-M323 WeakPolarHBondContact O-CG 2.7Å; E319-M323 PolarHBondContact O-N 2.97Å; E319-M323 VanDerWaalsContact OE1-CE 3.27Å; E319-M323 WeakPolarHBondContact OE1-CE 3.48Å; E319-K371 IonicContact OE1-NZ 2.85Å; E319-K371 PolarHBondContact OE1-NZ 3.47Å; E319-K371 IonicContact OE2-NZ 2.77Å; E319-K371 PolarHBondContact OE2-NZ 2.73Å |
| 320 | G | 79.8 | Confident | 77.1 | Confident | 4 Ų | 4 | 74.6 Ų | 74.6 | 4% | 0.041 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -67.8 | -32.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y311 L315 G318 A324 | Y311-G320 VanDerWaalsContact CD2-C 3.42Å; Y311-G320 VanDerWaalsContact CE2-C 3.44Å; L315-G320 VanDerWaalsContact CD1-CA 3.49Å; G318-G320 PolarHBondContact O-N 3.3Å; G320-A324 VanDerWaalsContact O-CB 3.28Å; G320-A324 WeakPolarHBondContact O-CB 3.43Å; G320-A324 PolarHBondContact O-N 2.86Å |
| 321 | A | 80.4 | Confident | 77.6 | Confident | 51 Ų | 51 | 72 Ų | 72 | 42% | 0.421 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -68.4 | -47.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y311 G318 E319 M323 A324 E325 | Y311-A321 HydrophobicContact CE2-CB 4.18Å; G318-A321 PolarHBondContact O-N 3.29Å; E319-A321 PolarHBondContact O-N 3.44Å; A321-M323 VanDerWaalsContact C-N 3.35Å; A321-M323 PolarHBondContact O-N 2.78Å; A321-A324 PolarHBondContact O-N 3.22Å; A321-E325 PolarHBondContact O-N 3.19Å; A321-E325 VanDerWaalsContact O-N 3.09Å |
| 322 | A | 79.1 | Confident | 77.8 | Confident | 51 Ų | 51 | 73.5 Ų | 73.5 | 42% | 0.421 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.6 | -42.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | G318 E325 Y326 | G318-A322 PolarHBondContact O-N 2.92Å; A322-E325 PolarHBondContact O-N 3.26Å; A322-Y326 WeakPolarHBondContact O-CD2 3.38Å; A322-Y326 PolarHBondContact O-N 2.87Å |
| 323 | M | 74.3 | Confident | 77.9 | Confident | 32 Ų | 32 | 73.3 Ų | 73.3 | 16% | 0.158 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -67 | -39 | 177 | -69.3 | -176.3 | 174.4 | 0 | 0 | 113 | L315 E319 A321 E325 Y326 V327 I333 I375 | L315-M323 HydrophobicContact CD2-SD 4.42Å; E319-M323 HydrophobicContact CG-CE 3.75Å; E319-M323 HydrophobicContact CG-SD 4.18Å; E319-M323 WeakPolarHBondContact O-CG 2.7Å; E319-M323 PolarHBondContact O-N 2.97Å; E319-M323 VanDerWaalsContact OE1-CE 3.27Å; E319-M323 WeakPolarHBondContact OE1-CE 3.48Å; A321-M323 VanDerWaalsContact C-N 3.35Å; A321-M323 PolarHBondContact O-N 2.78Å; M323-E325 VanDerWaalsContact C-N 3.31Å; M323-E325 PolarHBondContact O-N 2.92Å; M323-Y326 PolarHBondContact O-N 3.41Å; M323-V327 WeakPolarHBondContact O-CG2 3.42Å; M323-V327 PolarHBondContact O-N 3.02Å; M323-V327 VanDerWaalsContact O-N 3.11Å; M323-I333 HydrophobicContact CB-CD1 4.02Å; M323-I333 HydrophobicContact CB-CG1 4.39Å; M323-I333 HydrophobicContact CB-CG2 4.48Å; M323-I333 HydrophobicContact CE-CG2 4.06Å; M323-I333 HydrophobicContact CG-CD1 4.27Å; M323-I333 HydrophobicContact CG-CG2 3.79Å; M323-I333 HydrophobicContact SD-CD1 4.4Å; M323-I333 HydrophobicContact SD-CG2 4.22Å; M323-I375 HydrophobicContact CB-CD1 3.43Å; M323-I375 VanDerWaalsContact CB-CD1 3.43Å; M323-I375 HydrophobicContact CG-CD1 4.23Å; M323-I375 HydrophobicContact SD-CD1 3.83Å |
| 324 | A | 78.3 | Confident | 77.9 | Confident | 8 Ų | 8 | 66 Ų | 66 | 7% | 0.066 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -65.3 | -33.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y311 G320 A321 V327 K328 I375 | Y311-A324 HydrophobicContact CE1-CB 3.8Å; Y311-A324 HydrophobicContact CE2-CB 4.44Å; Y311-A324 VanDerWaalsContact OH-CB 3.22Å; Y311-A324 WeakPolarHBondContact OH-CB 3.08Å; G320-A324 VanDerWaalsContact O-CB 3.28Å; G320-A324 WeakPolarHBondContact O-CB 3.43Å; G320-A324 PolarHBondContact O-N 2.86Å; A321-A324 PolarHBondContact O-N 3.22Å; A324-V327 PolarHBondContact O-N 3.46Å; A324-K328 VanDerWaalsContact O-CB 3.25Å; A324-K328 WeakPolarHBondContact O-CB 3.49Å; A324-K328 PolarHBondContact O-N 3.02Å; A324-I375 HydrophobicContact CB-CG2 3.96Å |
| 325 | E | 83.4 | Confident | 77.7 | Confident | 139 Ų | 139 | 66.9 Ų | 66.9 | 65% | 0.65 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -63 | -46.5 | 174.7 | -171.5 | 178.2 | -179.4 | 0 | 0 | 112.2 | A321 A322 M323 V327 K328 A329 | A321-E325 PolarHBondContact O-N 3.19Å; A321-E325 VanDerWaalsContact O-N 3.09Å; A322-E325 PolarHBondContact O-N 3.26Å; M323-E325 VanDerWaalsContact C-N 3.31Å; M323-E325 PolarHBondContact O-N 2.92Å; E325-V327 PolarHBondContact O-N 3.18Å; E325-K328 PolarHBondContact O-N 2.91Å; E325-A329 WeakPolarHBondContact O-CB 3.3Å; E325-A329 PolarHBondContact O-N 3.18Å |
| 326 | Y | 77.5 | Confident | 77.2 | Confident | 95 Ų | 95 | 78.1 Ų | 78.1 | 37% | 0.373 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.7 | -44 | 174 | -84 | -101.3 | 0 | 0 | 0 | 111.6 | A322 M323 A329 G330 K331 P334 | A322-Y326 WeakPolarHBondContact O-CD2 3.38Å; A322-Y326 PolarHBondContact O-N 2.87Å; M323-Y326 PolarHBondContact O-N 3.41Å; Y326-A329 CarbonylContact O-C 3.5Å; Y326-A329 PolarHBondContact O-N 3.43Å; Y326-G330 PolarHBondContact O-N 2.82Å; Y326-K331 CarbonylContact C-O 3.56Å; Y326-K331 HydrophobicContact CD1-CB 3.96Å; Y326-K331 PolarHBondContact O-N 3.38Å; Y326-P334 HydrophobicContact CD1-CG 4.26Å; Y326-P334 HydrophobicContact CE1-CG 3.77Å |
| 327 | V | 78.6 | Confident | 76.7 | Confident | 33 Ų | 33 | 75.4 Ų | 75.4 | 20% | 0.2 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -64.3 | -41.9 | 177.6 | 171 | 0 | 0 | 0 | 0 | 111.8 | M323 A324 E325 A329 G330 I333 Y376 | M323-V327 WeakPolarHBondContact O-CG2 3.42Å; M323-V327 PolarHBondContact O-N 3.02Å; M323-V327 VanDerWaalsContact O-N 3.11Å; A324-V327 PolarHBondContact O-N 3.46Å; E325-V327 PolarHBondContact O-N 3.18Å; V327-A329 VanDerWaalsContact C-N 3.26Å; V327-A329 PolarHBondContact O-N 3.37Å; V327-G330 PolarHBondContact O-N 2.95Å; V327-I333 HydrophobicContact CG2-CD1 3.9Å; V327-I333 HydrophobicContact CG2-CG1 4.02Å; V327-Y376 HydrophobicContact CG1-CD1 4.14Å; V327-Y376 HydrophobicContact CG1-CE1 3.48Å; V327-Y376 VanDerWaalsContact CG1-CE1 3.48Å |
| 328 | K | 82.4 | Confident | 76.4 | Confident | 191 Ų | 191 | 69.4 Ų | 69.4 | 83% | 0.83 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -62.1 | -33.6 | 174.6 | -176.6 | -178.1 | 177.2 | -173.7 | 0 | 111.9 | A324 E325 G330 | A324-K328 VanDerWaalsContact O-CB 3.25Å; A324-K328 WeakPolarHBondContact O-CB 3.49Å; A324-K328 PolarHBondContact O-N 3.02Å; E325-K328 PolarHBondContact O-N 2.91Å; K328-G330 PolarHBondContact O-N 3.21Å |
| 329 | A | 78.7 | Confident | 75.7 | Confident | 61 Ų | 61 | 74 Ų | 74 | 50% | 0.504 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | 2.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114 | E325 Y326 V327 K331 | E325-A329 WeakPolarHBondContact O-CB 3.3Å; E325-A329 PolarHBondContact O-N 3.18Å; Y326-A329 CarbonylContact O-C 3.5Å; Y326-A329 PolarHBondContact O-N 3.43Å; V327-A329 VanDerWaalsContact C-N 3.26Å; V327-A329 PolarHBondContact O-N 3.37Å; A329-K331 HydrophobicContact CB-CD 4.17Å; A329-K331 HydrophobicContact CB-CG 4.21Å; A329-K331 PolarHBondContact O-N 3.27Å |
| 330 | G | 76.4 | Confident | 75.3 | Confident | 73 Ų | 73 | 75.5 Ų | 75.5 | 75% | 0.753 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71 | 9.2 | -176 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y326 V327 K328 | Y326-G330 PolarHBondContact O-N 2.82Å; V327-G330 PolarHBondContact O-N 2.95Å; K328-G330 PolarHBondContact O-N 3.21Å |
| 331 | K | 80.6 | Confident | 75.2 | Confident | 91 Ų | 91 | 78.4 Ų | 78.4 | 40% | 0.396 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -93.7 | 142.5 | -172.4 | -67.7 | 177.9 | 175.9 | -161.3 | 0 | 111.6 | Y326 A329 I333 E344 | Y326-K331 CarbonylContact C-O 3.56Å; Y326-K331 HydrophobicContact CD1-CB 3.96Å; Y326-K331 PolarHBondContact O-N 3.38Å; A329-K331 HydrophobicContact CB-CD 4.17Å; A329-K331 HydrophobicContact CB-CG 4.21Å; A329-K331 PolarHBondContact O-N 3.27Å; K331-I333 PolarHBondContact O-N 3.46Å; K331-E344 IonicContact NZ-OE1 2.93Å |
| 332 | R | 76.6 | Confident | 75.3 | Confident | 59 Ų | 59 | 79.2 Ų | 79.2 | 22% | 0.223 | 44% | 0.44 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 129.8 | 172.9 | -179.6 | -168 | 168.5 | -78.2 | 24.7 | 110.1 | P334 E338 E350 | R332-P334 WeakPolarHBondContact O-CD 3.48Å; R332-E338 IonicContact CZ-OE1 3.78Å; R332-E338 IonicContact CZ-OE2 2.97Å; R332-E338 IonicContact NH1-OE1 3.79Å; R332-E338 IonicContact NH1-OE2 3.65Å; R332-E338 PolarHBondContact NH1-OE2 2.96Å; R332-E338 IonicContact NH2-OE1 2.77Å; R332-E338 PolarHBondContact NH2-OE1 2.99Å; R332-E338 IonicContact NH2-OE2 2.74Å; R332-E338 PolarHBondContact NH2-OE2 3.22Å; R332-E350 WeakPolarHBondContact CD-OE2 3.43Å; R332-E350 IonicContact CZ-OE1 3.86Å; R332-E350 IonicContact CZ-OE2 2.82Å; R332-E350 IonicContact NE-OE1 3.75Å; R332-E350 IonicContact NE-OE2 3.62Å; R332-E350 PolarHBondContact NE-OE2 3.43Å; R332-E350 VanDerWaalsContact NH2-CD 3.28Å; R332-E350 IonicContact NH2-OE1 3.43Å; R332-E350 PolarHBondContact NH2-OE1 3.25Å; R332-E350 IonicContact NH2-OE2 3.54Å; R332-E350 PolarHBondContact NH2-OE2 3.1Å |
| 333 | I | 75.1 | Confident | 75.1 | Confident | 24 Ų | 24 | 77.6 Ų | 77.6 | 12% | 0.123 | 43% | 0.426 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 126.1 | 176.4 | -59.8 | 167.1 | 0 | 0 | 0 | 110.2 | M323 V327 K331 E372 I375 | M323-I333 HydrophobicContact CB-CD1 4.02Å; M323-I333 HydrophobicContact CB-CG1 4.39Å; M323-I333 HydrophobicContact CB-CG2 4.48Å; M323-I333 HydrophobicContact CE-CG2 4.06Å; M323-I333 HydrophobicContact CG-CD1 4.27Å; M323-I333 HydrophobicContact CG-CG2 3.79Å; M323-I333 HydrophobicContact SD-CD1 4.4Å; M323-I333 HydrophobicContact SD-CG2 4.22Å; V327-I333 HydrophobicContact CG2-CD1 3.9Å; V327-I333 HydrophobicContact CG2-CG1 4.02Å; K331-I333 PolarHBondContact O-N 3.46Å; I333-E372 HydrophobicContact CD1-CG 3.92Å; I333-I375 HydrophobicContact CD1-CD1 4.36Å |
| 334 | P | 72.7 | Confident | 75.3 | Confident | 39 Ų | 39 | 82 Ų | 82 | 25% | 0.253 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -63 | 138.3 | 174.7 | -23.4 | 34.3 | 0 | 0 | 0 | 112.9 | Y326 R332 | Y326-P334 HydrophobicContact CD1-CG 4.26Å; Y326-P334 HydrophobicContact CE1-CG 3.77Å; R332-P334 WeakPolarHBondContact O-CD 3.48Å |
| 335 | R | 72.1 | Confident | 75.5 | Confident | 79 Ų | 79 | 85 Ų | 85 | 30% | 0.298 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -91.8 | 166.4 | 176.4 | -51.3 | -178.5 | -175.9 | 136.3 | 8.3 | 111.5 | G337 E338 E350 | R335-G337 PolarHBondContact O-N 3.29Å; R335-G337 VanDerWaalsContact O-N 3.14Å; R335-E338 VanDerWaalsContact CB-CD 3.45Å; R335-E338 HydrophobicContact CB-CG 3.99Å; R335-E338 WeakPolarHBondContact CB-OE1 3.45Å; R335-E338 WeakPolarHBondContact CD-OE1 3.27Å; R335-E338 WeakPolarHBondContact CG-OE1 3.47Å; R335-E338 PolarHBondContact N-OE2 3.1Å; R335-E338 IonicContact NH1-OE1 3.91Å; R335-E338 WeakPolarHBondContact O-CB 3.47Å; R335-E338 PolarHBondContact O-N 3.01Å; R335-E350 IonicContact CZ-OE1 3.48Å; R335-E350 IonicContact NH1-OE1 2.7Å; R335-E350 PolarHBondContact NH1-OE1 3Å; R335-E350 IonicContact NH2-OE1 2.73Å; R335-E350 PolarHBondContact NH2-OE1 3.31Å; R335-E350 IonicContact NH2-OE2 2.62Å |
| 336 | R | 64 | Low | 75 | Confident | 252 Ų | 252 | 78.5 Ų | 78.5 | 95% | 0.951 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | 115.6 | 175.7 | -178.5 | -179.2 | 178.9 | -177 | -0 | 110.5 | ||
| 337 | G | 64.9 | Low | 75.1 | Confident | 65 Ų | 65 | 76 Ų | 76 | 67% | 0.67 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 107.4 | -13.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | R335 I339 | R335-G337 PolarHBondContact O-N 3.29Å; R335-G337 VanDerWaalsContact O-N 3.14Å; G337-I339 VanDerWaalsContact C-N 3.33Å |
| 338 | E | 72.6 | Confident | 75.4 | Confident | 8 Ų | 8 | 77.9 Ų | 77.9 | 4% | 0.037 | 44% | 0.442 | C | S | . | . | trans | -94.6 | 7.9 | 175.2 | -48.1 | 178.3 | 173.7 | 0 | 0 | 111.6 | R332 R335 G340 L341 I346 M356 | R332-E338 IonicContact CZ-OE1 3.78Å; R332-E338 IonicContact CZ-OE2 2.97Å; R332-E338 IonicContact NH1-OE1 3.79Å; R332-E338 IonicContact NH1-OE2 3.65Å; R332-E338 PolarHBondContact NH1-OE2 2.96Å; R332-E338 IonicContact NH2-OE1 2.77Å; R332-E338 PolarHBondContact NH2-OE1 2.99Å; R332-E338 IonicContact NH2-OE2 2.74Å; R332-E338 PolarHBondContact NH2-OE2 3.22Å; R335-E338 VanDerWaalsContact CB-CD 3.45Å; R335-E338 HydrophobicContact CB-CG 3.99Å; R335-E338 WeakPolarHBondContact CB-OE1 3.45Å; R335-E338 WeakPolarHBondContact CD-OE1 3.27Å; R335-E338 WeakPolarHBondContact CG-OE1 3.47Å; R335-E338 PolarHBondContact N-OE2 3.1Å; R335-E338 IonicContact NH1-OE1 3.91Å; R335-E338 WeakPolarHBondContact O-CB 3.47Å; R335-E338 PolarHBondContact O-N 3.01Å; E338-G340 PolarHBondContact O-N 3.01Å; E338-L341 PolarHBondContact O-N 3.09Å; E338-I346 HydrophobicContact CB-CD1 3.79Å; E338-I346 HydrophobicContact CB-CG1 4.36Å; E338-M356 HydrophobicContact CG-CE 3.75Å | ||
| 339 | I | 63.5 | Low | 75.2 | Confident | 153 Ų | 153 | 72.8 Ų | 72.8 | 79% | 0.785 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | 93.5 | -178.7 | -55.6 | 168.7 | 0 | 0 | 0 | 108.1 | G337 | G337-I339 VanDerWaalsContact C-N 3.33Š|
| 340 | G | 71.1 | Confident | 75.1 | Confident | 78 Ų | 78 | 73.2 Ų | 73.2 | 80% | 0.804 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 136.1 | -9.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | E338 | E338-G340 PolarHBondContact O-N 3.01Š|
| 341 | L | 77 | Confident | 75.1 | Confident | 65 Ų | 65 | 75.3 Ų | 75.3 | 34% | 0.34 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -102 | 150 | 170.1 | -64.3 | 173.8 | 0 | 0 | 0 | 110.2 | E338 E345 I346 F349 M356 | E338-L341 PolarHBondContact O-N 3.09Å; L341-E345 WeakPolarHBondContact CA-OE2 3.47Å; L341-E345 WeakPolarHBondContact CD2-OE2 3.4Å; L341-I346 HydrophobicContact CB-CD1 4.09Å; L341-I346 HydrophobicContact CB-CG1 3.78Å; L341-I346 HydrophobicContact CD1-CG1 4.32Å; L341-F349 HydrophobicContact CD1-CD2 4.45Å; L341-F349 HydrophobicContact CD1-CE2 4.38Å; L341-M356 HydrophobicContact CD1-CE 3.96Å; L341-M356 HydrophobicContact CD1-SD 4.35Å |
| 342 | T | 81.5 | Confident | 75.2 | Confident | 67 Ų | 67 | 74.4 Ų | 74.4 | 41% | 0.411 | 42% | 0.419 | S | S | . | . | trans | -73.3 | 156.8 | 174 | 68.5 | 0 | 0 | 0 | 0 | 111.4 | E344 E345 I346 | T342-E344 PolarHBondContact O-N 3.35Å; T342-E345 WeakPolarHBondContact CB-OE1 3.39Å; T342-E345 WeakPolarHBondContact CG2-OE1 3.45Å; T342-E345 PolarHBondContact N-OE2 3.37Å; T342-E345 PolarHBondContact O-N 3.17Å; T342-E345 VanDerWaalsContact OG1-CG 3.27Å; T342-E345 WeakPolarHBondContact OG1-CG 3.42Å; T342-E345 PolarHBondContact OG1-N 3.1Å; T342-E345 PolarHBondContact OG1-OE1 3.18Å; T342-I346 WeakPolarHBondContact O-CD1 3.07Å; T342-I346 VanDerWaalsContact O-CG1 3.26Å; T342-I346 WeakPolarHBondContact O-CG1 3.37Å; T342-I346 PolarHBondContact O-N 3.31Å | ||
| 343 | S | 74.8 | Confident | 75 | Confident | 17 Ų | 17 | 74.2 Ų | 74.2 | 12% | 0.119 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -59.5 | -28.8 | 177.7 | 48.9 | 0 | 0 | 0 | 0 | 113.3 | A347 | S343-A347 PolarHBondContact O-N 3.44Å |
| 344 | E | 80.1 | Confident | 74.9 | Confident | 124 Ų | 124 | 81.2 Ų | 81.2 | 58% | 0.579 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -81.9 | -40.1 | -178.3 | -71.5 | 151.4 | -136.2 | 0 | 0 | 111.6 | K331 T342 I346 A347 S348 | K331-E344 IonicContact NZ-OE1 2.93Å; T342-E344 PolarHBondContact O-N 3.35Å; E344-I346 VanDerWaalsContact C-N 3.34Å; E344-I346 PolarHBondContact O-N 3.37Å; E344-A347 PolarHBondContact O-N 3.38Å; E344-S348 WeakPolarHBondContact O-CB 3.49Å; E344-S348 PolarHBondContact O-N 3.34Å; E344-S348 PolarHBondContact O-OG 3.4Å |
| 345 | E | 82.8 | Confident | 74.3 | Confident | 73 Ų | 73 | 83.1 Ų | 83.1 | 34% | 0.341 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -56 | -47.8 | 166.7 | -77 | 149.2 | -135.3 | 0 | 0 | 111.4 | L341 T342 A347 S348 F349 | L341-E345 WeakPolarHBondContact CA-OE2 3.47Å; L341-E345 WeakPolarHBondContact CD2-OE2 3.4Å; T342-E345 WeakPolarHBondContact CB-OE1 3.39Å; T342-E345 WeakPolarHBondContact CG2-OE1 3.45Å; T342-E345 PolarHBondContact N-OE2 3.37Å; T342-E345 PolarHBondContact O-N 3.17Å; T342-E345 VanDerWaalsContact OG1-CG 3.27Å; T342-E345 WeakPolarHBondContact OG1-CG 3.42Å; T342-E345 PolarHBondContact OG1-N 3.1Å; T342-E345 PolarHBondContact OG1-OE1 3.18Å; E345-A347 VanDerWaalsContact C-N 3.33Å; E345-A347 PolarHBondContact O-N 3.18Å; E345-S348 WeakPolarHBondContact O-CB 3.4Å; E345-S348 PolarHBondContact O-N 3.02Å; E345-S348 VanDerWaalsContact O-N 3.13Å; E345-F349 HydrophobicContact CB-CD2 4.34Å; E345-F349 HydrophobicContact CB-CE2 4.04Å; E345-F349 WeakPolarHBondContact O-CD2 3.03Å; E345-F349 WeakPolarHBondContact O-CG 3.3Å; E345-F349 PolarHBondContact O-N 2.89Å |
| 346 | I | 72.9 | Confident | 73.5 | Confident | 1 Ų | 1 | 83.2 Ų | 83.2 | 1% | 0.005 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -63.9 | -39.8 | -178.6 | -61.2 | 157.9 | 0 | 0 | 0 | 111.2 | E338 L341 T342 E344 S348 F349 E350 | E338-I346 HydrophobicContact CB-CD1 3.79Å; E338-I346 HydrophobicContact CB-CG1 4.36Å; L341-I346 HydrophobicContact CB-CD1 4.09Å; L341-I346 HydrophobicContact CB-CG1 3.78Å; L341-I346 HydrophobicContact CD1-CG1 4.32Å; T342-I346 WeakPolarHBondContact O-CD1 3.07Å; T342-I346 VanDerWaalsContact O-CG1 3.26Å; T342-I346 WeakPolarHBondContact O-CG1 3.37Å; T342-I346 PolarHBondContact O-N 3.31Å; E344-I346 VanDerWaalsContact C-N 3.34Å; E344-I346 PolarHBondContact O-N 3.37Å; I346-S348 VanDerWaalsContact C-N 3.34Å; I346-F349 PolarHBondContact O-N 3.34Å; I346-E350 WeakPolarHBondContact O-CG 3.49Å; I346-E350 PolarHBondContact O-N 3.19Å |
| 347 | A | 79.1 | Confident | 72.8 | Confident | 42 Ų | 42 | 77.4 Ų | 77.4 | 35% | 0.347 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | S343 E344 E345 F349 E350 C351 | S343-A347 PolarHBondContact O-N 3.44Å; E344-A347 PolarHBondContact O-N 3.38Å; E345-A347 VanDerWaalsContact C-N 3.33Å; E345-A347 PolarHBondContact O-N 3.18Å; A347-F349 PolarHBondContact O-N 3.5Å; A347-E350 PolarHBondContact O-N 2.87Å; A347-C351 WeakPolarHBondContact O-CB 3.45Å; A347-C351 PolarHBondContact O-N 2.86Å; A347-C351 PolarHBondContact O-SG 2.96Å |
| 348 | S | 84.1 | Confident | 72.5 | Confident | 74 Ų | 74 | 76.1 Ų | 76.1 | 52% | 0.517 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 177.8 | -54.3 | 0 | 0 | 0 | 0 | 112.5 | E344 E345 I346 S352 | E344-S348 WeakPolarHBondContact O-CB 3.49Å; E344-S348 PolarHBondContact O-N 3.34Å; E344-S348 PolarHBondContact O-OG 3.4Å; E345-S348 WeakPolarHBondContact O-CB 3.4Å; E345-S348 PolarHBondContact O-N 3.02Å; E345-S348 VanDerWaalsContact O-N 3.13Å; I346-S348 VanDerWaalsContact C-N 3.34Å; S348-S352 PolarHBondContact O-N 2.74Å; S348-S352 PolarHBondContact O-OG 2.95Å |
| 349 | F | 78.7 | Confident | 71.7 | Confident | 84 Ų | 84 | 79.1 Ų | 79.1 | 37% | 0.368 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.8 | -38.4 | 174 | -68.6 | -51.6 | 0 | 0 | 0 | 112.4 | L341 E345 I346 A347 S352 G353 Y354 | L341-F349 HydrophobicContact CD1-CD2 4.45Å; L341-F349 HydrophobicContact CD1-CE2 4.38Å; E345-F349 HydrophobicContact CB-CD2 4.34Å; E345-F349 HydrophobicContact CB-CE2 4.04Å; E345-F349 WeakPolarHBondContact O-CD2 3.03Å; E345-F349 WeakPolarHBondContact O-CG 3.3Å; E345-F349 PolarHBondContact O-N 2.89Å; I346-F349 PolarHBondContact O-N 3.34Å; A347-F349 PolarHBondContact O-N 3.5Å; F349-S352 WeakPolarHBondContact CA-OG 3.11Å; F349-S352 PolarHBondContact O-N 3.15Å; F349-S352 PolarHBondContact O-OG 3.07Å; F349-S352 VanDerWaalsContact O-OG 3.14Å; F349-G353 PolarHBondContact O-N 3.35Å; F349-Y354 WeakPolarHBondContact O-CA 3.37Å; F349-Y354 WeakPolarHBondContact O-CB 3.12Å; F349-Y354 PolarHBondContact O-N 2.83Å |
| 350 | E | 76.6 | Confident | 71.4 | Confident | 69 Ų | 69 | 83.7 Ų | 83.7 | 32% | 0.322 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.3 | -39.5 | 174.7 | -72.3 | -167.8 | 146.3 | 0 | 0 | 112.5 | R332 R335 I346 A347 G353 | R332-E350 WeakPolarHBondContact CD-OE2 3.43Å; R332-E350 IonicContact CZ-OE1 3.86Å; R332-E350 IonicContact CZ-OE2 2.82Å; R332-E350 IonicContact NE-OE1 3.75Å; R332-E350 IonicContact NE-OE2 3.62Å; R332-E350 PolarHBondContact NE-OE2 3.43Å; R332-E350 VanDerWaalsContact NH2-CD 3.28Å; R332-E350 IonicContact NH2-OE1 3.43Å; R332-E350 PolarHBondContact NH2-OE1 3.25Å; R332-E350 IonicContact NH2-OE2 3.54Å; R332-E350 PolarHBondContact NH2-OE2 3.1Å; R335-E350 IonicContact CZ-OE1 3.48Å; R335-E350 IonicContact NH1-OE1 2.7Å; R335-E350 PolarHBondContact NH1-OE1 3Å; R335-E350 IonicContact NH2-OE1 2.73Å; R335-E350 PolarHBondContact NH2-OE1 3.31Å; R335-E350 IonicContact NH2-OE2 2.62Å; I346-E350 WeakPolarHBondContact O-CG 3.49Å; I346-E350 PolarHBondContact O-N 3.19Å; A347-E350 PolarHBondContact O-N 2.87Å; E350-G353 PolarHBondContact O-N 2.9Å; E350-G353 VanDerWaalsContact O-N 3.1Å |
| 351 | C | 77.1 | Confident | 71.3 | Confident | 118 Ų | 118 | 85.8 Ų | 85.8 | 80% | 0.797 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.6 | -37.6 | 174.4 | -71.3 | 0 | 0 | 0 | 0 | 112.8 | A347 G353 | A347-C351 WeakPolarHBondContact O-CB 3.45Å; A347-C351 PolarHBondContact O-N 2.86Å; A347-C351 PolarHBondContact O-SG 2.96Å; C351-G353 PolarHBondContact O-N 2.99Å |
| 352 | S | 81.8 | Confident | 71.1 | Confident | 72 Ų | 72 | 92.8 Ų | 92.8 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | 5.8 | 173.7 | 52.5 | 0 | 0 | 0 | 0 | 114 | S348 F349 Y354 | S348-S352 PolarHBondContact O-N 2.74Å; S348-S352 PolarHBondContact O-OG 2.95Å; F349-S352 WeakPolarHBondContact CA-OG 3.11Å; F349-S352 PolarHBondContact O-N 3.15Å; F349-S352 PolarHBondContact O-OG 3.07Å; F349-S352 VanDerWaalsContact O-OG 3.14Å; S352-Y354 VanDerWaalsContact C-N 3.33Å; S352-Y354 PolarHBondContact O-N 3.09Å |
| 353 | G | 73.4 | Confident | 70.6 | Confident | 55 Ų | 55 | 99.7 Ų | 99.7 | 57% | 0.567 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.5 | 4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | F349 E350 C351 V355 | F349-G353 PolarHBondContact O-N 3.35Å; E350-G353 PolarHBondContact O-N 2.9Å; E350-G353 VanDerWaalsContact O-N 3.1Å; C351-G353 PolarHBondContact O-N 2.99Å; G353-V355 VanDerWaalsContact C-N 3.3Å; G353-V355 PolarHBondContact O-N 3.14Å |
| 354 | Y | 71.3 | Confident | 70 | Confident | 170 Ų | 170 | 104.9 Ų | 104.9 | 67% | 0.667 | 54% | 0.544 | S | S | * | . | trans | -71.4 | 82.6 | 174.9 | -84.7 | -86.1 | 0 | 0 | 0 | 111.6 | F349 S352 M356 | F349-Y354 WeakPolarHBondContact O-CA 3.37Å; F349-Y354 WeakPolarHBondContact O-CB 3.12Å; F349-Y354 PolarHBondContact O-N 2.83Å; S352-Y354 VanDerWaalsContact C-N 3.33Å; S352-Y354 PolarHBondContact O-N 3.09Å; Y354-M356 PolarHBondContact O-N 3.11Å; Y354-M356 VanDerWaalsContact O-N 3.08Å | ||
| 355 | V | 60.9 | Low | 69.4 | Low | 80 Ų | 80 | 103 Ų | 103 | 49% | 0.485 | 54% | 0.535 | S | S | . | . | trans | -76.4 | 93.5 | 168.9 | 177.9 | 0 | 0 | 0 | 0 | 109.7 | G353 S357 | G353-V355 VanDerWaalsContact C-N 3.3Å; G353-V355 PolarHBondContact O-N 3.14Å; V355-S357 PolarHBondContact O-N 3.43Å | ||
| 356 | M | 55.5 | Low | 68.9 | Low | 80 Ų | 80 | 101.9 Ų | 101.9 | 39% | 0.394 | 54% | 0.539 | S | S | . | . | trans | -52.4 | 135 | 158 | -70.9 | -174.6 | -81.3 | 0 | 0 | 109.1 | E338 L341 Y354 G358 | E338-M356 HydrophobicContact CG-CE 3.75Å; L341-M356 HydrophobicContact CD1-CE 3.96Å; L341-M356 HydrophobicContact CD1-SD 4.35Å; Y354-M356 PolarHBondContact O-N 3.11Å; Y354-M356 VanDerWaalsContact O-N 3.08Å; M356-G358 PolarHBondContact O-N 3Å | ||
| 357 | S | 48.7 | Very low | 68.9 | Low | 130 Ų | 130 | 105 Ų | 105 | 91% | 0.909 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.6 | 90.1 | -154.9 | 52.7 | 0 | 0 | 0 | 0 | 116 | V355 | V355-S357 PolarHBondContact O-N 3.43Š|
| 358 | G | 58.7 | Low | 68.8 | Low | 39 Ų | 39 | 107.2 Ų | 107.2 | 40% | 0.402 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -167 | -36.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | M356 R360 H361 | M356-G358 PolarHBondContact O-N 3Å; G358-R360 VanDerWaalsContact C-N 3.3Å; G358-R360 PolarHBondContact O-N 2.88Å; G358-R360 VanDerWaalsContact O-N 3.1Å; G358-H361 PolarHBondContact O-N 2.87Å |
| 359 | S | 56.7 | Low | 68.4 | Low | 71 Ų | 71 | 107 Ų | 107 | 50% | 0.497 | 55% | 0.55 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -26.5 | -163.8 | -165.1 | 0 | 0 | 0 | 0 | 115.5 | H361 | S359-H361 PolarHBondContact O-N 3.29Å; S359-H361 VanDerWaalsContact O-N 3.12Å |
| 360 | R | 56.2 | Low | 68.5 | Low | 248 Ų | 248 | 110.9 Ų | 110.9 | 94% | 0.936 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -10.7 | 179.5 | -63.8 | -174.7 | -178.4 | 179.1 | 1.3 | 114.5 | G358 R362 | G358-R360 VanDerWaalsContact C-N 3.3Å; G358-R360 PolarHBondContact O-N 2.88Å; G358-R360 VanDerWaalsContact O-N 3.1Å; R360-R362 PolarHBondContact O-N 2.85Å |
| 361 | H | 69.4 | Low | 68.8 | Low | 123 Ų | 123 | 110 Ų | 110 | 57% | 0.569 | 56% | 0.557 | S | S | * | * | trans | -97.1 | 89.8 | -177.3 | -87.4 | 88.5 | 0 | 0 | 0 | 113.4 | G358 S359 R363 M364 E365 | G358-H361 PolarHBondContact O-N 2.87Å; S359-H361 PolarHBondContact O-N 3.29Å; S359-H361 VanDerWaalsContact O-N 3.12Å; H361-R363 PolarHBondContact O-N 2.84Å; H361-M364 HydrophobicContact CB-CB 4.2Å; H361-M364 HydrophobicContact CB-CG 4.06Å; H361-M364 PolarHBondContact O-N 2.77Å; H361-E365 PolarHBondContact O-N 3.42Å; H361-E365 VanDerWaalsContact O-N 3.15Å | ||
| 362 | R | 72.7 | Confident | 68.8 | Low | 211 Ų | 211 | 105.5 Ų | 105.5 | 80% | 0.796 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -46 | -27.6 | 171.9 | -79.2 | -172.3 | 169.4 | -165 | -3.5 | 115.4 | R360 A366 | R360-R362 PolarHBondContact O-N 2.85Å; R362-A366 VanDerWaalsContact O-CB 3.27Å; R362-A366 WeakPolarHBondContact O-CB 3.32Å; R362-A366 PolarHBondContact O-N 2.66Å |
| 363 | R | 70.4 | Confident | 68.8 | Low | 213 Ų | 213 | 106.5 Ų | 106.5 | 80% | 0.804 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -72.3 | -36.2 | 176.3 | -61.8 | -174.2 | -165.8 | 165.7 | 7.3 | 112.8 | H361 V367 | H361-R363 PolarHBondContact O-N 2.84Å; R363-V367 WeakPolarHBondContact O-CG2 3.28Å; R363-V367 PolarHBondContact O-N 2.96Å |
| 364 | M | 62 | Low | 69.2 | Low | 125 Ų | 125 | 105.9 Ų | 105.9 | 62% | 0.616 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -76.2 | -42.1 | 177.3 | -69.2 | -58.3 | -65.1 | 0 | 0 | 110.6 | H361 A366 V367 R368 | H361-M364 HydrophobicContact CB-CB 4.2Å; H361-M364 HydrophobicContact CB-CG 4.06Å; H361-M364 PolarHBondContact O-N 2.77Å; M364-A366 VanDerWaalsContact C-N 3.34Å; M364-A366 PolarHBondContact O-N 3.28Å; M364-V367 WeakPolarHBondContact O-CA 3.48Å; M364-V367 WeakPolarHBondContact O-CB 3.22Å; M364-V367 PolarHBondContact O-N 3.05Å; M364-R368 PolarHBondContact O-N 3.24Å |
| 365 | E | 68 | Low | 69.5 | Low | 85 Ų | 85 | 97.8 Ų | 97.8 | 40% | 0.397 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -56.3 | -46.2 | 171.8 | -174 | -174 | -162.7 | 0 | 0 | 111.8 | H361 V367 R368 L369 | H361-E365 PolarHBondContact O-N 3.42Å; H361-E365 VanDerWaalsContact O-N 3.15Å; E365-V367 PolarHBondContact O-N 3.44Å; E365-R368 WeakPolarHBondContact O-CB 3.36Å; E365-R368 PolarHBondContact O-N 3.48Å; E365-L369 HydrophobicContact CG-CD1 4.13Å; E365-L369 WeakPolarHBondContact O-CB 3.45Å; E365-L369 WeakPolarHBondContact O-CG 3.42Å; E365-L369 PolarHBondContact O-N 3.24Å |
| 366 | A | 72.4 | Confident | 70.2 | Confident | 50 Ų | 50 | 98.7 Ų | 98.7 | 41% | 0.413 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.2 | -17.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | R362 M364 R370 | R362-A366 VanDerWaalsContact O-CB 3.27Å; R362-A366 WeakPolarHBondContact O-CB 3.32Å; R362-A366 PolarHBondContact O-N 2.66Å; M364-A366 VanDerWaalsContact C-N 3.34Å; M364-A366 PolarHBondContact O-N 3.28Å; A366-R370 WeakPolarHBondContact O-CB 3.49Å; A366-R370 PolarHBondContact O-N 3.46Å |
| 367 | V | 72.5 | Confident | 71.5 | Confident | 66 Ų | 66 | 97.2 Ų | 97.2 | 40% | 0.4 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -83 | -42.4 | 170.5 | 168.2 | 0 | 0 | 0 | 0 | 110.4 | R363 M364 E365 R370 K371 | R363-V367 WeakPolarHBondContact O-CG2 3.28Å; R363-V367 PolarHBondContact O-N 2.96Å; M364-V367 WeakPolarHBondContact O-CA 3.48Å; M364-V367 WeakPolarHBondContact O-CB 3.22Å; M364-V367 PolarHBondContact O-N 3.05Å; E365-V367 PolarHBondContact O-N 3.44Å; V367-R370 PolarHBondContact O-N 2.9Å; V367-K371 PolarHBondContact O-N 2.84Å |
| 368 | R | 78.1 | Confident | 72.9 | Confident | 89 Ų | 89 | 92 Ų | 92 | 34% | 0.336 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -54.8 | -58.2 | 171.5 | 177.5 | -173.5 | 72.1 | 87.8 | -0.7 | 110.6 | M364 E365 R370 K371 E372 | M364-R368 PolarHBondContact O-N 3.24Å; E365-R368 WeakPolarHBondContact O-CB 3.36Å; E365-R368 PolarHBondContact O-N 3.48Å; R368-R370 PolarHBondContact O-N 3.25Å; R368-R370 VanDerWaalsContact O-N 3.13Å; R368-K371 WeakPolarHBondContact O-CB 3.39Å; R368-K371 PolarHBondContact O-N 3.14Å; R368-E372 VanDerWaalsContact CD-OE1 3.3Å; R368-E372 WeakPolarHBondContact CD-OE1 3.38Å; R368-E372 HydrophobicContact CG-CG 4.4Å; R368-E372 WeakPolarHBondContact CG-OE1 3.46Å; R368-E372 IonicContact CZ-OE1 3.45Å; R368-E372 IonicContact CZ-OE2 3.42Å; R368-E372 IonicContact NE-OE1 2.7Å; R368-E372 IonicContact NH1-OE1 3.39Å; R368-E372 PolarHBondContact NH1-OE1 2.82Å; R368-E372 IonicContact NH1-OE2 2.84Å; R368-E372 PolarHBondContact NH1-OE2 2.7Å; R368-E372 PolarHBondContact O-N 3.43Å |
| 369 | L | 76.1 | Confident | 73.8 | Confident | 69 Ų | 69 | 92.1 Ų | 92.1 | 36% | 0.361 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -57 | -30.9 | 177.5 | -69.2 | 170.8 | 0 | 0 | 0 | 112.6 | E365 N373 | E365-L369 HydrophobicContact CG-CD1 4.13Å; E365-L369 WeakPolarHBondContact O-CB 3.45Å; E365-L369 WeakPolarHBondContact O-CG 3.42Å; E365-L369 PolarHBondContact O-N 3.24Å; L369-N373 WeakPolarHBondContact O-CB 3.08Å; L369-N373 PolarHBondContact O-N 3.1Å; L369-N373 PolarHBondContact O-OD1 3.28Å; L369-N373 VanDerWaalsContact O-OD1 3.09Å |
| 370 | R | 79.7 | Confident | 74.9 | Confident | 166 Ų | 166 | 94 Ų | 94 | 63% | 0.626 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -71.8 | -41.4 | 174.4 | -172.7 | -175.2 | -57.4 | 169.1 | 6 | 112.4 | A366 V367 R368 Q374 | A366-R370 WeakPolarHBondContact O-CB 3.49Å; A366-R370 PolarHBondContact O-N 3.46Å; V367-R370 PolarHBondContact O-N 2.9Å; R368-R370 PolarHBondContact O-N 3.25Å; R368-R370 VanDerWaalsContact O-N 3.13Å; R370-Q374 WeakPolarHBondContact O-CB 3.36Å; R370-Q374 PolarHBondContact O-N 2.96Å |
| 371 | K | 83 | Confident | 76.2 | Confident | 49 Ų | 49 | 88.8 Ų | 88.8 | 21% | 0.213 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -65.9 | -46.3 | 176.7 | -74.4 | -166.1 | 169.4 | -150.1 | 0 | 110.8 | L315 E319 V367 R368 Q374 I375 | L315-K371 HydrophobicContact CD2-CB 3.92Å; L315-K371 HydrophobicContact CD2-CD 3.45Å; L315-K371 VanDerWaalsContact CD2-CD 3.45Å; L315-K371 HydrophobicContact CD2-CG 3.57Å; E319-K371 IonicContact OE1-NZ 2.85Å; E319-K371 PolarHBondContact OE1-NZ 3.47Å; E319-K371 IonicContact OE2-NZ 2.77Å; E319-K371 PolarHBondContact OE2-NZ 2.73Å; V367-K371 PolarHBondContact O-N 2.84Å; R368-K371 WeakPolarHBondContact O-CB 3.39Å; R368-K371 PolarHBondContact O-N 3.14Å; K371-Q374 WeakPolarHBondContact O-CB 3.46Å; K371-Q374 PolarHBondContact O-N 3.39Å; K371-I375 WeakPolarHBondContact O-CD1 3.46Å; K371-I375 WeakPolarHBondContact O-CG1 3.15Å; K371-I375 PolarHBondContact O-N 3.45Å; K371-I375 VanDerWaalsContact O-N 3.16Å |
| 372 | E | 76.4 | Confident | 76.8 | Confident | 25 Ų | 25 | 86.3 Ų | 86.3 | 12% | 0.117 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -58.6 | -54.2 | 174.5 | -74.3 | 165.3 | -177.9 | 0 | 0 | 111.5 | I333 R368 Q374 I375 Y376 | I333-E372 HydrophobicContact CD1-CG 3.92Å; R368-E372 VanDerWaalsContact CD-OE1 3.3Å; R368-E372 WeakPolarHBondContact CD-OE1 3.38Å; R368-E372 HydrophobicContact CG-CG 4.4Å; R368-E372 WeakPolarHBondContact CG-OE1 3.46Å; R368-E372 IonicContact CZ-OE1 3.45Å; R368-E372 IonicContact CZ-OE2 3.42Å; R368-E372 IonicContact NE-OE1 2.7Å; R368-E372 IonicContact NH1-OE1 3.39Å; R368-E372 PolarHBondContact NH1-OE1 2.82Å; R368-E372 IonicContact NH1-OE2 2.84Å; R368-E372 PolarHBondContact NH1-OE2 2.7Å; R368-E372 PolarHBondContact O-N 3.43Å; E372-Q374 PolarHBondContact O-N 3.44Å; E372-Q374 VanDerWaalsContact O-N 3.12Å; E372-I375 WeakPolarHBondContact O-CA 3.45Å; E372-I375 WeakPolarHBondContact O-CB 3.48Å; E372-I375 PolarHBondContact O-N 3.09Å; E372-Y376 HydrophobicContact CB-CD2 4.24Å; E372-Y376 HydrophobicContact CB-CE2 3.91Å; E372-Y376 WeakPolarHBondContact O-CD2 3.5Å; E372-Y376 PolarHBondContact O-N 3.02Å |
| 373 | N | 83.4 | Confident | 77.3 | Confident | 93 Ų | 93 | 78.9 Ų | 78.9 | 50% | 0.497 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.1 | -24.7 | 178.2 | -68.2 | 11.6 | 0 | 0 | 0 | 113.1 | L369 S377 | L369-N373 WeakPolarHBondContact O-CB 3.08Å; L369-N373 PolarHBondContact O-N 3.1Å; L369-N373 PolarHBondContact O-OD1 3.28Å; L369-N373 VanDerWaalsContact O-OD1 3.09Å; N373-S377 WeakPolarHBondContact O-CB 3.3Å; N373-S377 PolarHBondContact O-N 3.13Å; N373-S377 PolarHBondContact O-OG 3.41Å; N373-S377 VanDerWaalsContact O-OG 3.07Å |
| 374 | Q | 80.3 | Confident | 78 | Confident | 41 Ų | 41 | 74 Ų | 74 | 19% | 0.192 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -74.2 | -28.8 | 174.6 | 171.9 | -179.5 | -17.7 | 0 | 0 | 112.3 | Y311 G312 R370 K371 E372 A378 | Y311-Q374 WeakPolarHBondContact O-CG 3.18Å; Y311-Q374 PolarHBondContact O-NE2 2.97Å; G312-Q374 PolarHBondContact O-NE2 3.46Å; G312-Q374 VanDerWaalsContact O-NE2 3.09Å; R370-Q374 WeakPolarHBondContact O-CB 3.36Å; R370-Q374 PolarHBondContact O-N 2.96Å; K371-Q374 WeakPolarHBondContact O-CB 3.46Å; K371-Q374 PolarHBondContact O-N 3.39Å; E372-Q374 PolarHBondContact O-N 3.44Å; E372-Q374 VanDerWaalsContact O-N 3.12Å; Q374-A378 WeakPolarHBondContact O-CB 3.44Å; Q374-A378 PolarHBondContact O-N 3.17Å |
| 375 | I | 78.9 | Confident | 79.1 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -76.6 | -54.8 | 171.1 | -62.7 | 153.6 | 0 | 0 | 0 | 109.3 | Y311 L315 M323 A324 I333 K371 E372 S377 A378 D379 | Y311-I375 HydrophobicContact CD1-CG1 4.45Å; Y311-I375 HydrophobicContact CE1-CG2 4.38Å; L315-I375 HydrophobicContact CD1-CD1 4.3Å; L315-I375 HydrophobicContact CD1-CG1 4Å; M323-I375 HydrophobicContact CB-CD1 3.43Å; M323-I375 VanDerWaalsContact CB-CD1 3.43Å; M323-I375 HydrophobicContact CG-CD1 4.23Å; M323-I375 HydrophobicContact SD-CD1 3.83Å; A324-I375 HydrophobicContact CB-CG2 3.96Å; I333-I375 HydrophobicContact CD1-CD1 4.36Å; K371-I375 WeakPolarHBondContact O-CD1 3.46Å; K371-I375 WeakPolarHBondContact O-CG1 3.15Å; K371-I375 PolarHBondContact O-N 3.45Å; K371-I375 VanDerWaalsContact O-N 3.16Å; E372-I375 WeakPolarHBondContact O-CA 3.45Å; E372-I375 WeakPolarHBondContact O-CB 3.48Å; E372-I375 PolarHBondContact O-N 3.09Å; I375-S377 PolarHBondContact O-N 3.36Å; I375-A378 WeakPolarHBondContact O-CA 3.3Å; I375-A378 WeakPolarHBondContact O-CB 3.48Å; I375-A378 PolarHBondContact O-N 3.35Å; I375-D379 VanDerWaalsContact CG2-OD2 3.27Å; I375-D379 WeakPolarHBondContact CG2-OD2 3.4Å; I375-D379 PolarHBondContact O-N 2.8Å |
| 376 | Y | 75.7 | Confident | 79.8 | Confident | 100 Ų | 100 | 68.7 Ų | 68.7 | 39% | 0.392 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -52.5 | -50.9 | 176.4 | -65 | -55.9 | 0 | 0 | 0 | 111.9 | V327 E372 A378 D379 E380 | V327-Y376 HydrophobicContact CG1-CD1 4.14Å; V327-Y376 HydrophobicContact CG1-CE1 3.48Å; V327-Y376 VanDerWaalsContact CG1-CE1 3.48Å; E372-Y376 HydrophobicContact CB-CD2 4.24Å; E372-Y376 HydrophobicContact CB-CE2 3.91Å; E372-Y376 WeakPolarHBondContact O-CD2 3.5Å; E372-Y376 PolarHBondContact O-N 3.02Å; Y376-A378 PolarHBondContact O-N 3.48Å; Y376-A378 VanDerWaalsContact O-N 3.1Å; Y376-D379 PolarHBondContact O-N 2.86Å; Y376-E380 VanDerWaalsContact O-CB 3.23Å; Y376-E380 WeakPolarHBondContact O-CB 3.31Å; Y376-E380 VanDerWaalsContact O-CD 3.31Å; Y376-E380 WeakPolarHBondContact O-CG 3.34Å; Y376-E380 PolarHBondContact O-N 2.96Å |
| 377 | S | 82.4 | Confident | 80.6 | Confident | 48 Ų | 48 | 72.3 Ų | 72.3 | 34% | 0.336 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -68.3 | -6.9 | 176.7 | -70 | 0 | 0 | 0 | 0 | 115.3 | N373 I375 K381 | N373-S377 WeakPolarHBondContact O-CB 3.3Å; N373-S377 PolarHBondContact O-N 3.13Å; N373-S377 PolarHBondContact O-OG 3.41Å; N373-S377 VanDerWaalsContact O-OG 3.07Å; I375-S377 PolarHBondContact O-N 3.36Å; S377-K381 VanDerWaalsContact O-CD 3.27Å; S377-K381 WeakPolarHBondContact O-CD 3.46Å; S377-K381 VanDerWaalsContact O-CE 3.31Å; S377-K381 WeakPolarHBondContact O-CE 3.47Å; S377-K381 VanDerWaalsContact O-CG 3.29Å; S377-K381 WeakPolarHBondContact O-CG 3.42Å; S377-K381 PolarHBondContact O-NZ 3.17Å |
| 378 | A | 78.5 | Confident | 81.5 | Confident | 22 Ų | 22 | 73.5 Ų | 73.5 | 18% | 0.182 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -93.2 | -46.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y311 Q374 I375 Y376 K381 R382 | Y311-A378 HydrophobicContact CD1-CB 3.94Å; Y311-A378 HydrophobicContact CE1-CB 4.41Å; Q374-A378 WeakPolarHBondContact O-CB 3.44Å; Q374-A378 PolarHBondContact O-N 3.17Å; I375-A378 WeakPolarHBondContact O-CA 3.3Å; I375-A378 WeakPolarHBondContact O-CB 3.48Å; I375-A378 PolarHBondContact O-N 3.35Å; Y376-A378 PolarHBondContact O-N 3.48Å; Y376-A378 VanDerWaalsContact O-N 3.1Å; A378-K381 PolarHBondContact O-N 3.21Å; A378-R382 PolarHBondContact O-N 3.24Å |
| 379 | D | 76.1 | Confident | 82 | Confident | 41 Ų | 41 | 74 Ų | 74 | 22% | 0.219 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -69.2 | -39.9 | -179.6 | -64.9 | -31.3 | 0 | 0 | 0 | 112.2 | I375 Y376 K381 R382 A383 | I375-D379 VanDerWaalsContact CG2-OD2 3.27Å; I375-D379 WeakPolarHBondContact CG2-OD2 3.4Å; I375-D379 PolarHBondContact O-N 2.8Å; Y376-D379 PolarHBondContact O-N 2.86Å; D379-K381 VanDerWaalsContact C-N 3.28Å; D379-K381 PolarHBondContact O-N 2.82Å; D379-R382 WeakPolarHBondContact O-CB 3.38Å; D379-R382 PolarHBondContact O-N 3.12Å; D379-A383 WeakPolarHBondContact O-CB 3.26Å; D379-A383 PolarHBondContact O-N 3.48Å |
| 380 | E | 80.2 | Confident | 82.6 | Confident | 109 Ų | 109 | 74.7 Ų | 74.7 | 51% | 0.509 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -55 | -43.5 | 169.6 | -73.3 | 161.5 | -166.9 | 0 | 0 | 111.6 | Y376 A383 L384 | Y376-E380 VanDerWaalsContact O-CB 3.23Å; Y376-E380 WeakPolarHBondContact O-CB 3.31Å; Y376-E380 VanDerWaalsContact O-CD 3.31Å; Y376-E380 WeakPolarHBondContact O-CG 3.34Å; Y376-E380 PolarHBondContact O-N 2.96Å; E380-A383 PolarHBondContact O-N 2.77Å; E380-L384 WeakPolarHBondContact O-CB 3.27Å; E380-L384 VanDerWaalsContact O-CG 3.29Å; E380-L384 WeakPolarHBondContact O-CG 3.39Å; E380-L384 PolarHBondContact O-N 3.19Å |
| 381 | K | 84.3 | Confident | 83.1 | Confident | 140 Ų | 140 | 70.3 Ų | 70.3 | 61% | 0.609 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -71.8 | -34.1 | 179.4 | -70.7 | -178.1 | -166.9 | 116.8 | 0 | 112.2 | S377 A378 D379 A385 | S377-K381 VanDerWaalsContact O-CD 3.27Å; S377-K381 WeakPolarHBondContact O-CD 3.46Å; S377-K381 VanDerWaalsContact O-CE 3.31Å; S377-K381 WeakPolarHBondContact O-CE 3.47Å; S377-K381 VanDerWaalsContact O-CG 3.29Å; S377-K381 WeakPolarHBondContact O-CG 3.42Å; S377-K381 PolarHBondContact O-NZ 3.17Å; A378-K381 PolarHBondContact O-N 3.21Å; D379-K381 VanDerWaalsContact C-N 3.28Å; D379-K381 PolarHBondContact O-N 2.82Å; K381-A385 WeakPolarHBondContact O-CB 3.06Å; K381-A385 PolarHBondContact O-N 2.91Å |
| 382 | R | 82 | Confident | 83.5 | Confident | 70 Ų | 70 | 75.3 Ų | 75.3 | 26% | 0.264 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.1 | -49.8 | 172.7 | 175.2 | -179.8 | 170.1 | 175.1 | -2.8 | 110.3 | D305 A378 D379 L384 A385 S386 | D305-R382 PolarHBondContact O-NH2 2.88Å; D305-R382 IonicContact OD1-CZ 3.65Å; D305-R382 IonicContact OD1-NE 3.89Å; D305-R382 PolarHBondContact OD1-NE 2.86Å; D305-R382 IonicContact OD1-NH2 3.61Å; D305-R382 PolarHBondContact OD1-NH2 2.81Å; A378-R382 PolarHBondContact O-N 3.24Å; D379-R382 WeakPolarHBondContact O-CB 3.38Å; D379-R382 PolarHBondContact O-N 3.12Å; R382-L384 PolarHBondContact O-N 3.39Å; R382-A385 PolarHBondContact O-N 3.04Å; R382-A385 VanDerWaalsContact O-N 3.12Å; R382-S386 PolarHBondContact O-N 3.1Å; R382-S386 PolarHBondContact O-OG 2.86Å |
| 383 | A | 83.4 | Confident | 84.1 | Confident | 55 Ų | 55 | 79.2 Ų | 79.2 | 46% | 0.455 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.4 | -42.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | D379 E380 S386 F387 | D379-A383 WeakPolarHBondContact O-CB 3.26Å; D379-A383 PolarHBondContact O-N 3.48Å; E380-A383 PolarHBondContact O-N 2.77Å; A383-S386 PolarHBondContact O-OG 3.25Å; A383-F387 VanDerWaalsContact O-CB 3.3Å; A383-F387 WeakPolarHBondContact O-CB 3.41Å; A383-F387 PolarHBondContact O-N 2.93Å |
| 384 | L | 83.7 | Confident | 84.7 | Confident | 111 Ų | 111 | 80.9 Ų | 80.9 | 58% | 0.581 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -67.6 | -36 | 174.1 | -70.4 | 171.2 | 0 | 0 | 0 | 112.5 | E380 R382 N388 | E380-L384 WeakPolarHBondContact O-CB 3.27Å; E380-L384 VanDerWaalsContact O-CG 3.29Å; E380-L384 WeakPolarHBondContact O-CG 3.39Å; E380-L384 PolarHBondContact O-N 3.19Å; R382-L384 PolarHBondContact O-N 3.39Å; L384-N388 WeakPolarHBondContact O-CB 3.27Å; L384-N388 PolarHBondContact O-N 3.01Å; L384-N388 VanDerWaalsContact O-N 3.07Å; L384-N388 PolarHBondContact O-ND2 2.86Å; L384-N388 VanDerWaalsContact O-ND2 3.15Å |
| 385 | A | 85.9 | Confident | 85.3 | Confident | 55 Ų | 55 | 85.2 Ų | 85.2 | 46% | 0.455 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -71.4 | -41.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K381 R382 N388 Q389 | K381-A385 WeakPolarHBondContact O-CB 3.06Å; K381-A385 PolarHBondContact O-N 2.91Å; R382-A385 PolarHBondContact O-N 3.04Å; R382-A385 VanDerWaalsContact O-N 3.12Å; A385-N388 PolarHBondContact O-N 3.28Å; A385-Q389 WeakPolarHBondContact O-CB 3.45Å; A385-Q389 PolarHBondContact O-N 2.76Å |
| 386 | S | 83.3 | Confident | 86.1 | Confident | 43 Ų | 43 | 89 Ų | 89 | 30% | 0.301 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.7 | -43.9 | 175.1 | 59 | 0 | 0 | 0 | 0 | 110.9 | R382 A383 N388 Q389 E390 | R382-S386 PolarHBondContact O-N 3.1Å; R382-S386 PolarHBondContact O-OG 2.86Å; A383-S386 PolarHBondContact O-OG 3.25Å; S386-N388 PolarHBondContact O-N 3.08Å; S386-Q389 PolarHBondContact O-N 3.37Å; S386-Q389 VanDerWaalsContact O-N 3.14Å; S386-E390 WeakPolarHBondContact O-CB 3.45Å; S386-E390 WeakPolarHBondContact O-CG 3.17Å; S386-E390 PolarHBondContact O-N 2.82Å |
| 387 | F | 88.2 | Confident | 87 | Confident | 126 Ų | 126 | 88.6 Ų | 88.6 | 55% | 0.553 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -56.7 | -49 | 174.1 | -177.2 | -96.3 | 0 | 0 | 0 | 112.3 | A383 Q389 E390 E391 | A383-F387 VanDerWaalsContact O-CB 3.3Å; A383-F387 WeakPolarHBondContact O-CB 3.41Å; A383-F387 PolarHBondContact O-N 2.93Å; F387-Q389 VanDerWaalsContact C-N 3.31Å; F387-Q389 PolarHBondContact O-N 3.26Å; F387-E390 PolarHBondContact O-N 2.58Å; F387-E391 WeakPolarHBondContact O-CB 3.4Å; F387-E391 PolarHBondContact O-N 2.91Å |
| 388 | N | 91.3 | Very high | 87.6 | Confident | 92 Ų | 92 | 94 Ų | 94 | 49% | 0.492 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.3 | -35.5 | 176.8 | -71.4 | -22.9 | 0 | 0 | 0 | 112.6 | L384 A385 S386 R392 | L384-N388 WeakPolarHBondContact O-CB 3.27Å; L384-N388 PolarHBondContact O-N 3.01Å; L384-N388 VanDerWaalsContact O-N 3.07Å; L384-N388 PolarHBondContact O-ND2 2.86Å; L384-N388 VanDerWaalsContact O-ND2 3.15Å; A385-N388 PolarHBondContact O-N 3.28Å; S386-N388 PolarHBondContact O-N 3.08Å; N388-R392 VanDerWaalsContact O-CB 3.29Å; N388-R392 WeakPolarHBondContact O-CB 3.31Å; N388-R392 PolarHBondContact O-N 3.4Å |
| 389 | Q | 88.3 | Confident | 88.4 | Confident | 98 Ų | 98 | 98.2 Ų | 98.2 | 46% | 0.458 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -70.9 | -40.4 | 176.7 | -172.7 | 179.1 | 7.1 | 0 | 0 | 111.8 | A385 S386 F387 R392 R393 | A385-Q389 WeakPolarHBondContact O-CB 3.45Å; A385-Q389 PolarHBondContact O-N 2.76Å; S386-Q389 PolarHBondContact O-N 3.37Å; S386-Q389 VanDerWaalsContact O-N 3.14Å; F387-Q389 VanDerWaalsContact C-N 3.31Å; F387-Q389 PolarHBondContact O-N 3.26Å; Q389-R392 PolarHBondContact O-N 2.9Å; Q389-R393 WeakPolarHBondContact O-CB 3.22Å; Q389-R393 PolarHBondContact O-N 3.19Å |
| 390 | E | 89.1 | Confident | 89.4 | Confident | 85 Ų | 85 | 100.5 Ų | 100.5 | 40% | 0.397 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.5 | -42.6 | 174 | -77.4 | 178.5 | -145.8 | 0 | 0 | 112.1 | S386 F387 R392 R393 K394 | S386-E390 WeakPolarHBondContact O-CB 3.45Å; S386-E390 WeakPolarHBondContact O-CG 3.17Å; S386-E390 PolarHBondContact O-N 2.82Å; F387-E390 PolarHBondContact O-N 2.58Å; E390-R392 VanDerWaalsContact C-N 3.33Å; E390-R392 PolarHBondContact O-N 3.43Å; E390-R393 PolarHBondContact O-N 3.06Å; E390-K394 WeakPolarHBondContact O-CB 3.41Å; E390-K394 VanDerWaalsContact O-CG 3.28Å; E390-K394 WeakPolarHBondContact O-CG 3.37Å; E390-K394 PolarHBondContact O-N 2.9Å |
| 391 | E | 90.1 | Very high | 90.1 | Very high | 74 Ų | 74 | 97.9 Ų | 97.9 | 35% | 0.346 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 176.1 | -160.1 | -154.2 | -175.5 | 0 | 0 | 110.5 | F387 K394 R395 | F387-E391 WeakPolarHBondContact O-CB 3.4Å; F387-E391 PolarHBondContact O-N 2.91Å; E391-K394 PolarHBondContact O-N 2.7Å; E391-R395 VanDerWaalsContact CD-CZ 3.44Å; E391-R395 WeakPolarHBondContact O-CG 3.4Å; E391-R395 PolarHBondContact O-N 3.43Å; E391-R395 IonicContact OE1-CZ 3.47Å; E391-R395 IonicContact OE1-NE 2.66Å; E391-R395 IonicContact OE1-NH2 2.7Å; E391-R395 PolarHBondContact OE1-NH2 2.91Å; E391-R395 IonicContact OE2-CZ 3.27Å; E391-R395 VanDerWaalsContact OE2-CZ 3.27Å; E391-R395 IonicContact OE2-NH1 3.29Å; E391-R395 PolarHBondContact OE2-NH1 3.02Å; E391-R395 IonicContact OE2-NH2 2.7Å; E391-R395 PolarHBondContact OE2-NH2 3.44Å |
| 392 | R | 91 | Very high | 90.6 | Very high | 153 Ų | 153 | 94.2 Ų | 94.2 | 58% | 0.577 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -59.8 | -47.7 | 172.6 | -179.9 | 173.3 | 173.9 | 152.8 | 7.4 | 111.9 | N388 Q389 E390 K394 R395 E396 | N388-R392 VanDerWaalsContact O-CB 3.29Å; N388-R392 WeakPolarHBondContact O-CB 3.31Å; N388-R392 PolarHBondContact O-N 3.4Å; Q389-R392 PolarHBondContact O-N 2.9Å; E390-R392 VanDerWaalsContact C-N 3.33Å; E390-R392 PolarHBondContact O-N 3.43Å; R392-K394 VanDerWaalsContact C-N 3.29Å; R392-K394 PolarHBondContact O-N 2.9Å; R392-R395 WeakPolarHBondContact O-CB 3.28Å; R392-R395 PolarHBondContact O-N 2.95Å; R392-R395 VanDerWaalsContact O-N 3.08Å; R392-E396 HydrophobicContact CG-CG 4.38Å; R392-E396 WeakPolarHBondContact CG-OE1 3.24Å; R392-E396 IonicContact CZ-OE1 2.72Å; R392-E396 IonicContact NE-OE1 3.99Å; R392-E396 PolarHBondContact NE-OE1 2.94Å; R392-E396 IonicContact NH2-OE1 3.35Å; R392-E396 PolarHBondContact NH2-OE1 3.14Å; R392-E396 WeakPolarHBondContact O-CG 3.34Å; R392-E396 PolarHBondContact O-N 3.28Å |
| 393 | R | 90.8 | Very high | 91.3 | Very high | 107 Ų | 107 | 96.8 Ų | 96.8 | 40% | 0.404 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.1 | -37.6 | 176.3 | -168.7 | -172.2 | -63.7 | 149.1 | 0.3 | 111.6 | Q389 E390 E396 N397 | Q389-R393 WeakPolarHBondContact O-CB 3.22Å; Q389-R393 PolarHBondContact O-N 3.19Å; E390-R393 PolarHBondContact O-N 3.06Å; R393-E396 PolarHBondContact O-N 2.84Å; R393-N397 VanDerWaalsContact O-CB 3.27Å; R393-N397 WeakPolarHBondContact O-CB 3.35Å; R393-N397 PolarHBondContact O-N 3.38Å; R393-N397 PolarHBondContact O-OD1 2.93Å |
| 394 | K | 94.6 | Very high | 91.8 | Very high | 128 Ų | 128 | 103 Ų | 103 | 56% | 0.557 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.2 | -39.5 | 173.8 | -74.5 | 166.4 | -177.4 | 167.1 | 0 | 111.8 | E390 E391 R392 K398 | E390-K394 WeakPolarHBondContact O-CB 3.41Å; E390-K394 VanDerWaalsContact O-CG 3.28Å; E390-K394 WeakPolarHBondContact O-CG 3.37Å; E390-K394 PolarHBondContact O-N 2.9Å; E391-K394 PolarHBondContact O-N 2.7Å; R392-K394 VanDerWaalsContact C-N 3.29Å; R392-K394 PolarHBondContact O-N 2.9Å; K394-K398 VanDerWaalsContact O-CG 3.31Å; K394-K398 WeakPolarHBondContact O-CG 3.39Å; K394-K398 PolarHBondContact O-N 3.25Å |
| 395 | R | 94.6 | Very high | 92.2 | Very high | 132 Ų | 132 | 102.6 Ų | 102.6 | 50% | 0.498 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.4 | -46.5 | 172.8 | -64.7 | -176.7 | -166.4 | 117.1 | -5.1 | 111.6 | E391 R392 K398 I399 | E391-R395 VanDerWaalsContact CD-CZ 3.44Å; E391-R395 WeakPolarHBondContact O-CG 3.4Å; E391-R395 PolarHBondContact O-N 3.43Å; E391-R395 IonicContact OE1-CZ 3.47Å; E391-R395 IonicContact OE1-NE 2.66Å; E391-R395 IonicContact OE1-NH2 2.7Å; E391-R395 PolarHBondContact OE1-NH2 2.91Å; E391-R395 IonicContact OE2-CZ 3.27Å; E391-R395 VanDerWaalsContact OE2-CZ 3.27Å; E391-R395 IonicContact OE2-NH1 3.29Å; E391-R395 PolarHBondContact OE2-NH1 3.02Å; E391-R395 IonicContact OE2-NH2 2.7Å; E391-R395 PolarHBondContact OE2-NH2 3.44Å; R392-R395 WeakPolarHBondContact O-CB 3.28Å; R392-R395 PolarHBondContact O-N 2.95Å; R392-R395 VanDerWaalsContact O-N 3.08Å; R395-K398 WeakPolarHBondContact O-CB 3.4Å; R395-K398 PolarHBondContact O-N 3.35Å; R395-I399 WeakPolarHBondContact O-CG1 3.45Å; R395-I399 PolarHBondContact O-N 3.41Å |
| 396 | E | 94.3 | Very high | 92.6 | Very high | 79 Ų | 79 | 104.7 Ų | 104.7 | 37% | 0.369 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.9 | -43.5 | 178.6 | -71.9 | 168 | 168.9 | 0 | 0 | 111.3 | R392 R393 K398 I399 L400 | R392-E396 HydrophobicContact CG-CG 4.38Å; R392-E396 WeakPolarHBondContact CG-OE1 3.24Å; R392-E396 IonicContact CZ-OE1 2.72Å; R392-E396 IonicContact NE-OE1 3.99Å; R392-E396 PolarHBondContact NE-OE1 2.94Å; R392-E396 IonicContact NH2-OE1 3.35Å; R392-E396 PolarHBondContact NH2-OE1 3.14Å; R392-E396 WeakPolarHBondContact O-CG 3.34Å; R392-E396 PolarHBondContact O-N 3.28Å; R393-E396 PolarHBondContact O-N 2.84Å; E396-K398 VanDerWaalsContact C-N 3.34Å; E396-K398 PolarHBondContact O-N 3.34Å; E396-I399 PolarHBondContact O-N 3.44Å; E396-L400 WeakPolarHBondContact O-CG 3.5Å; E396-L400 PolarHBondContact O-N 3.09Å |
| 397 | N | 94.6 | Very high | 93.1 | Very high | 93 Ų | 93 | 105.7 Ų | 105.7 | 50% | 0.497 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62 | -37.3 | 174.7 | -75.3 | -0.5 | 0 | 0 | 0 | 112.9 | R393 L400 A401 | R393-N397 VanDerWaalsContact O-CB 3.27Å; R393-N397 WeakPolarHBondContact O-CB 3.35Å; R393-N397 PolarHBondContact O-N 3.38Å; R393-N397 PolarHBondContact O-OD1 2.93Å; N397-L400 PolarHBondContact O-N 2.85Å; N397-A401 WeakPolarHBondContact O-CB 3.36Å; N397-A401 PolarHBondContact O-N 3.23Å |
| 398 | K | 95.8 | Very high | 93.2 | Very high | 160 Ų | 160 | 106.1 Ų | 106.1 | 70% | 0.696 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.5 | -42.3 | 173.7 | -74.1 | 173.2 | -179.8 | -170.4 | 0 | 111.6 | K394 R395 E396 A401 S402 | K394-K398 VanDerWaalsContact O-CG 3.31Å; K394-K398 WeakPolarHBondContact O-CG 3.39Å; K394-K398 PolarHBondContact O-N 3.25Å; R395-K398 WeakPolarHBondContact O-CB 3.4Å; R395-K398 PolarHBondContact O-N 3.35Å; E396-K398 VanDerWaalsContact C-N 3.34Å; E396-K398 PolarHBondContact O-N 3.34Å; K398-A401 PolarHBondContact O-N 3.37Å; K398-S402 PolarHBondContact O-N 2.87Å; K398-S402 PolarHBondContact O-OG 2.9Å |
| 399 | I | 95.8 | Very high | 93.2 | Very high | 111 Ų | 111 | 110 Ų | 110 | 57% | 0.569 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.3 | -47.6 | 176 | -65.2 | 164.4 | 0 | 0 | 0 | 109.9 | R395 E396 A401 S402 F403 | R395-I399 WeakPolarHBondContact O-CG1 3.45Å; R395-I399 PolarHBondContact O-N 3.41Å; E396-I399 PolarHBondContact O-N 3.44Å; I399-A401 VanDerWaalsContact C-N 3.32Å; I399-A401 PolarHBondContact O-N 2.78Å; I399-S402 PolarHBondContact O-N 3.06Å; I399-S402 PolarHBondContact O-OG 2.77Å; I399-F403 WeakPolarHBondContact O-CB 3.38Å; I399-F403 PolarHBondContact O-N 2.85Å |
| 400 | L | 95.3 | Very high | 93.2 | Very high | 89 Ų | 89 | 112.2 Ų | 112.2 | 47% | 0.466 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.9 | -38.8 | 176 | -70.1 | 173.1 | 0 | 0 | 0 | 112.6 | E396 N397 F403 R404 | E396-L400 WeakPolarHBondContact O-CG 3.5Å; E396-L400 PolarHBondContact O-N 3.09Å; N397-L400 PolarHBondContact O-N 2.85Å; L400-F403 PolarHBondContact O-N 3.49Å; L400-R404 WeakPolarHBondContact O-CB 3.4Å; L400-R404 VanDerWaalsContact O-CG 3.24Å; L400-R404 WeakPolarHBondContact O-CG 3.36Å; L400-R404 PolarHBondContact O-N 2.79Å |
| 401 | A | 95.1 | Very high | 93.2 | Very high | 54 Ų | 54 | 111.4 Ų | 111.4 | 45% | 0.446 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.2 | -48.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | N397 K398 I399 F403 R404 E405 | N397-A401 WeakPolarHBondContact O-CB 3.36Å; N397-A401 PolarHBondContact O-N 3.23Å; K398-A401 PolarHBondContact O-N 3.37Å; I399-A401 VanDerWaalsContact C-N 3.32Å; I399-A401 PolarHBondContact O-N 2.78Å; A401-F403 VanDerWaalsContact C-N 3.27Å; A401-F403 PolarHBondContact O-N 3.44Å; A401-R404 PolarHBondContact O-N 3.45Å; A401-E405 PolarHBondContact O-N 3.38Å |
| 402 | S | 94.7 | Very high | 92.6 | Very high | 64 Ų | 64 | 112.9 Ų | 112.9 | 45% | 0.448 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.1 | -33.5 | 176.4 | 68.4 | 0 | 0 | 0 | 0 | 113.2 | K398 I399 M406 | K398-S402 PolarHBondContact O-N 2.87Å; K398-S402 PolarHBondContact O-OG 2.9Å; I399-S402 PolarHBondContact O-N 3.06Å; I399-S402 PolarHBondContact O-OG 2.77Å; S402-M406 WeakPolarHBondContact O-CB 3.32Å; S402-M406 PolarHBondContact O-N 3.01Å |
| 403 | F | 96.8 | Very high | 91.2 | Very high | 124 Ų | 124 | 108.3 Ų | 108.3 | 54% | 0.544 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -71.1 | -43.4 | 175.9 | -174.3 | -99.4 | 0 | 0 | 0 | 111.6 | I399 L400 A401 E405 M406 V407 | I399-F403 WeakPolarHBondContact O-CB 3.38Å; I399-F403 PolarHBondContact O-N 2.85Å; L400-F403 PolarHBondContact O-N 3.49Å; A401-F403 VanDerWaalsContact C-N 3.27Å; A401-F403 PolarHBondContact O-N 3.44Å; F403-E405 VanDerWaalsContact C-N 3.32Å; F403-E405 PolarHBondContact O-N 3.15Å; F403-M406 PolarHBondContact O-N 2.87Å; F403-V407 HydrophobicContact CD1-CG2 4.1Å; F403-V407 HydrophobicContact CE1-CG2 3.68Å; F403-V407 HydrophobicContact CE2-CG2 4.37Å; F403-V407 HydrophobicContact CZ-CG2 3.83Å; F403-V407 WeakPolarHBondContact O-CG2 3.34Å; F403-V407 PolarHBondContact O-N 2.94Å |
| 404 | R | 94.6 | Very high | 89.7 | Confident | 184 Ų | 184 | 111.1 Ų | 111.1 | 69% | 0.694 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -58.1 | -43.8 | 173 | -73.4 | 168.4 | -178 | -175.7 | -0.4 | 111.5 | L400 A401 V407 Y408 | L400-R404 WeakPolarHBondContact O-CB 3.4Å; L400-R404 VanDerWaalsContact O-CG 3.24Å; L400-R404 WeakPolarHBondContact O-CG 3.36Å; L400-R404 PolarHBondContact O-N 2.79Å; A401-R404 PolarHBondContact O-N 3.45Å; R404-V407 PolarHBondContact O-N 3.42Å; R404-Y408 VanDerWaalsContact O-CB 3.28Å; R404-Y408 WeakPolarHBondContact O-CB 3.42Å; R404-Y408 PolarHBondContact O-N 3.38Å |
| 405 | E | 93 | Very high | 88.1 | Confident | 104 Ų | 104 | 111 Ų | 111 | 49% | 0.486 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.9 | -46.9 | 174.9 | -166.9 | -154.7 | 133.7 | 0 | 0 | 111.6 | A401 F403 V407 Y408 R409 | A401-E405 PolarHBondContact O-N 3.38Å; F403-E405 VanDerWaalsContact C-N 3.32Å; F403-E405 PolarHBondContact O-N 3.15Å; E405-V407 VanDerWaalsContact C-N 3.34Å; E405-V407 PolarHBondContact O-N 3.47Å; E405-Y408 PolarHBondContact O-N 2.94Å; E405-R409 WeakPolarHBondContact O-CB 3.5Å; E405-R409 VanDerWaalsContact O-CG 3.29Å; E405-R409 WeakPolarHBondContact O-CG 3.45Å; E405-R409 PolarHBondContact O-N 2.96Å; E405-R409 WeakPolarHBondContact OE1-CD 3.31Å; E405-R409 IonicContact OE1-NH1 3.11Å; E405-R409 PolarHBondContact OE1-NH1 3.35Å; E405-R409 VanDerWaalsContact OE1-NH1 3.11Å |
| 406 | M | 92.5 | Very high | 86.3 | Confident | 99 Ų | 99 | 111.8 Ų | 111.8 | 49% | 0.488 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -60.7 | -41.9 | 178.4 | -171.9 | -167.6 | -59.8 | 0 | 0 | 112.4 | S402 F403 K410 | S402-M406 WeakPolarHBondContact O-CB 3.32Å; S402-M406 PolarHBondContact O-N 3.01Å; F403-M406 PolarHBondContact O-N 2.87Å; M406-K410 WeakPolarHBondContact O-CG 3.46Å; M406-K410 PolarHBondContact O-N 2.8Å; M406-K410 VanDerWaalsContact O-N 3.15Å |
| 407 | V | 94.1 | Very high | 84.2 | Confident | 64 Ų | 64 | 120.2 Ų | 120.2 | 39% | 0.388 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.5 | -50.2 | 175.9 | 172.7 | 0 | 0 | 0 | 0 | 110.2 | F403 R404 E405 R409 K410 T411 | F403-V407 HydrophobicContact CD1-CG2 4.1Å; F403-V407 HydrophobicContact CE1-CG2 3.68Å; F403-V407 HydrophobicContact CE2-CG2 4.37Å; F403-V407 HydrophobicContact CZ-CG2 3.83Å; F403-V407 WeakPolarHBondContact O-CG2 3.34Å; F403-V407 PolarHBondContact O-N 2.94Å; R404-V407 PolarHBondContact O-N 3.42Å; E405-V407 VanDerWaalsContact C-N 3.34Å; E405-V407 PolarHBondContact O-N 3.47Å; V407-R409 VanDerWaalsContact C-N 3.3Å; V407-R409 PolarHBondContact O-N 2.81Å; V407-K410 CarbonylContact O-C 3.51Å; V407-K410 WeakPolarHBondContact O-CA 3.4Å; V407-K410 WeakPolarHBondContact O-CB 3.22Å; V407-K410 PolarHBondContact O-N 3.1Å; V407-T411 HydrophobicContact CG1-CG2 4.19Å; V407-T411 PolarHBondContact O-N 2.9Å; V407-T411 PolarHBondContact O-OG1 3.01Å |
| 408 | Y | 91.8 | Very high | 83.6 | Confident | 134 Ų | 134 | 121.6 Ų | 121.6 | 53% | 0.525 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -56.4 | -42.4 | 179.1 | -177.4 | -94.7 | 0 | 0 | 0 | 112.4 | R404 E405 K410 T411 K412 | R404-Y408 VanDerWaalsContact O-CB 3.28Å; R404-Y408 WeakPolarHBondContact O-CB 3.42Å; R404-Y408 PolarHBondContact O-N 3.38Å; E405-Y408 PolarHBondContact O-N 2.94Å; Y408-K410 VanDerWaalsContact C-N 3.32Å; Y408-K410 PolarHBondContact O-N 3.18Å; Y408-T411 PolarHBondContact O-N 3.17Å; Y408-T411 PolarHBondContact O-OG1 3.22Å; Y408-K412 HydrophobicContact CD1-CG 4.48Å; Y408-K412 HydrophobicContact CD2-CG 4.26Å; Y408-K412 HydrophobicContact CE1-CD 4.12Å; Y408-K412 HydrophobicContact CE1-CG 4.17Å; Y408-K412 HydrophobicContact CE2-CD 3.96Å; Y408-K412 HydrophobicContact CE2-CG 3.94Å; Y408-K412 WeakPolarHBondContact O-CB 3.19Å; Y408-K412 PolarHBondContact O-N 3.41Å; Y408-K412 WeakPolarHBondContact OH-CD 3.35Å; Y408-K412 VanDerWaalsContact OH-CE 3.23Å; Y408-K412 WeakPolarHBondContact OH-CE 3.37Å; Y408-K412 PolarHBondContact OH-NZ 3.23Å |
| 409 | R | 89.6 | Confident | 83 | Confident | 174 Ų | 174 | 119.5 Ų | 119.5 | 66% | 0.657 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -64.6 | -32.9 | 174.6 | -72.2 | 173.2 | 65.5 | 172.1 | 0.9 | 113.1 | E405 V407 | E405-R409 WeakPolarHBondContact O-CB 3.5Å; E405-R409 VanDerWaalsContact O-CG 3.29Å; E405-R409 WeakPolarHBondContact O-CG 3.45Å; E405-R409 PolarHBondContact O-N 2.96Å; E405-R409 WeakPolarHBondContact OE1-CD 3.31Å; E405-R409 IonicContact OE1-NH1 3.11Å; E405-R409 PolarHBondContact OE1-NH1 3.35Å; E405-R409 VanDerWaalsContact OE1-NH1 3.11Å; V407-R409 VanDerWaalsContact C-N 3.3Å; V407-R409 PolarHBondContact O-N 2.81Å |
| 410 | K | 89.9 | Confident | 82.3 | Confident | 144 Ų | 144 | 120 Ų | 120 | 63% | 0.626 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -80.8 | -27.7 | 177.6 | -78 | -179.5 | 175.8 | -178.1 | 0 | 113.9 | M406 V407 Y408 | M406-K410 WeakPolarHBondContact O-CG 3.46Å; M406-K410 PolarHBondContact O-N 2.8Å; M406-K410 VanDerWaalsContact O-N 3.15Å; V407-K410 CarbonylContact O-C 3.51Å; V407-K410 WeakPolarHBondContact O-CA 3.4Å; V407-K410 WeakPolarHBondContact O-CB 3.22Å; V407-K410 PolarHBondContact O-N 3.1Å; Y408-K410 VanDerWaalsContact C-N 3.32Å; Y408-K410 PolarHBondContact O-N 3.18Å |
| 411 | T | 87.8 | Confident | 81.5 | Confident | 69 Ų | 69 | 121.8 Ų | 121.8 | 42% | 0.423 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -85.4 | -53.9 | 178.3 | 56.7 | 0 | 0 | 0 | 0 | 111 | V407 Y408 G413 K414 | V407-T411 HydrophobicContact CG1-CG2 4.19Å; V407-T411 PolarHBondContact O-N 2.9Å; V407-T411 PolarHBondContact O-OG1 3.01Å; Y408-T411 PolarHBondContact O-N 3.17Å; Y408-T411 PolarHBondContact O-OG1 3.22Å; T411-G413 VanDerWaalsContact C-N 3.26Å; T411-G413 PolarHBondContact O-N 3.17Å; T411-K414 WeakPolarHBondContact O-CB 3.47Å; T411-K414 PolarHBondContact O-N 3.17Å |
| 412 | K | 77.6 | Confident | 80.7 | Confident | 104 Ų | 104 | 126.1 Ų | 126.1 | 45% | 0.452 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -59.9 | -33.3 | -178.5 | -76.9 | -127.8 | 168.2 | -178.7 | 0 | 113.9 | Y408 K414 D415 | Y408-K412 HydrophobicContact CD1-CG 4.48Å; Y408-K412 HydrophobicContact CD2-CG 4.26Å; Y408-K412 HydrophobicContact CE1-CD 4.12Å; Y408-K412 HydrophobicContact CE1-CG 4.17Å; Y408-K412 HydrophobicContact CE2-CD 3.96Å; Y408-K412 HydrophobicContact CE2-CG 3.94Å; Y408-K412 WeakPolarHBondContact O-CB 3.19Å; Y408-K412 PolarHBondContact O-N 3.41Å; Y408-K412 WeakPolarHBondContact OH-CD 3.35Å; Y408-K412 VanDerWaalsContact OH-CE 3.23Å; Y408-K412 WeakPolarHBondContact OH-CE 3.37Å; Y408-K412 PolarHBondContact OH-NZ 3.23Å; K412-K414 PolarHBondContact O-N 2.95Å; K412-D415 PolarHBondContact O-N 3.4Å |
| 413 | G | 62.3 | Low | 79.7 | Confident | 58 Ų | 58 | 130.2 Ų | 130.2 | 60% | 0.598 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -68.3 | 3.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | T411 | T411-G413 VanDerWaalsContact C-N 3.26Å; T411-G413 PolarHBondContact O-N 3.17Å |
| 414 | K | 59.6 | Low | 78.5 | Confident | 165 Ų | 165 | 130.6 Ų | 130.6 | 72% | 0.717 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -108.9 | -18.9 | 172.7 | -71.8 | -177.3 | 164.5 | -171.1 | 0 | 114.1 | T411 K412 | T411-K414 WeakPolarHBondContact O-CB 3.47Å; T411-K414 PolarHBondContact O-N 3.17Å; K412-K414 PolarHBondContact O-N 2.95Å |
| 415 | D | 60.3 | Low | 77.3 | Confident | 126 Ų | 126 | 126.5 Ų | 126.5 | 67% | 0.674 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -88.8 | -17.8 | -173.9 | -53.6 | -41.3 | 0 | 0 | 0 | 112.1 | K412 | K412-D415 PolarHBondContact O-N 3.4Å |
| 416 | D | 57.4 | Low | 76 | Confident | 148 Ų | 148 | 128.4 Ų | 128.4 | 79% | 0.791 | 62% | 0.621 | S | S | * | * | trans | -95.9 | 38.5 | 178.9 | -64.8 | -42.3 | 0 | 0 | 0 | 112.8 | ||||
| 417 | K | 48.9 | Very low | 74.5 | Confident | 256 Ų | 256 | 131.1 Ų | 131.1 | 100% | 1.113 | 63% | 0.633 | S | S | * | * | trans | -149 | 0 | -176.5 | -136 | -176.7 | -171.6 | -175.3 | 0 | 116.4 |
Retrieved 417 of 417 residues in 197.8 ms
(Link to these results)