| 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 | 39.3 | Very low | 38.2 | Very low | 230 Ų | 230 | 146.7 Ų | 146.7 | 100% | 1.133 | 78% | 0.775 | S | S | * | * | 0 | 114.6 | 0 | -66.9 | 164.5 | 165.8 | 0 | 0 | 107.5 | |||||
| 2 | N | 41.3 | Very low | 37.9 | Very low | 148 Ų | 148 | 147.1 Ų | 147.1 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | cis | -120.8 | 126.4 | -28.1 | -68.4 | -16.1 | 0 | 0 | 0 | 105.3 | ||||
| 3 | M | 35.6 | Very low | 37.6 | Very low | 157 Ų | 157 | 146.3 Ų | 146.3 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | 71.5 | 118.5 | 65.7 | -94.1 | -177.8 | 154.8 | 0 | 0 | 114.9 | |||||
| 4 | N | 39.8 | Very low | 37.2 | Very low | 121 Ų | 121 | 147.8 Ų | 147.8 | 65% | 0.647 | 77% | 0.774 | S | S | * | * | trans | 73.3 | 153.3 | 152.7 | -62.8 | 60.4 | 0 | 0 | 0 | 118.2 | ||||
| 5 | D | 38.9 | Very low | 36.9 | Very low | 116 Ų | 116 | 146.3 Ų | 146.3 | 62% | 0.62 | 77% | 0.774 | S | S | * | * | cis | 176.7 | 174.2 | -31.4 | -95 | -25.9 | 0 | 0 | 0 | 105.5 | ||||
| 6 | N | 40.4 | Very low | 36.7 | Very low | 143 Ų | 143 | 144.2 Ų | 144.2 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | trans | 72.1 | 149.6 | 166.7 | -51.1 | -29.6 | 0 | 0 | 0 | 115.8 | ||||
| 7 | E | 36.5 | Very low | 36.5 | Very low | 166 Ų | 166 | 148.2 Ų | 148.2 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | cis | -175.8 | 175.9 | -32.6 | -127.3 | -176.9 | 178.4 | 0 | 0 | 107.5 | ||||
| 8 | S | 37.9 | Very low | 36.5 | Very low | 96 Ų | 96 | 147.9 Ų | 147.9 | 67% | 0.671 | 78% | 0.782 | S | S | * | * | trans | 76.3 | 140.9 | 153.3 | -70.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 9 | T | 40.8 | Very low | 36.4 | Very low | 126 Ų | 126 | 148.2 Ų | 148.2 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | 57.7 | 102.3 | 159.4 | 51.3 | 0 | 0 | 0 | 0 | 118 | ||||
| 10 | M | 37.2 | Very low | 36.3 | Very low | 166 Ų | 166 | 144.3 Ų | 144.3 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | 80.2 | 113.6 | 65 | -78.3 | -164.8 | 154.3 | 0 | 0 | 116.1 | |||||
| 11 | L | 32 | Very low | 36.4 | Very low | 145 Ų | 145 | 147.4 Ų | 147.4 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | trans | 48.2 | 120 | 133 | -53.9 | 172.4 | 0 | 0 | 0 | 119.6 | ||||
| 12 | L | 34.6 | Very low | 36.3 | Very low | 151 Ų | 151 | 143.8 Ų | 143.8 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | 174.8 | 171.4 | 110.7 | -95.3 | 166.8 | 0 | 0 | 0 | 113.2 | |||||
| 13 | N | 34.8 | Very low | 36.1 | Very low | 137 Ų | 137 | 141.8 Ų | 141.8 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | trans | 69.4 | 110.6 | 173.4 | -50.5 | -20.2 | 0 | 0 | 0 | 114.4 | ||||
| 14 | E | 31 | Very low | 36.2 | Very low | 167 Ų | 167 | 143.5 Ų | 143.5 | 78% | 0.78 | 77% | 0.771 | S | S | * | * | cis | 69.6 | 121.5 | 41.9 | -54.3 | -163.4 | 130.8 | 0 | 0 | 115.4 | ||||
| 15 | T | 33.8 | Very low | 36.2 | Very low | 126 Ų | 126 | 146.2 Ų | 146.2 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | 27.8 | 116 | 146 | 60.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 16 | S | 33.4 | Very low | 36.1 | Very low | 112 Ų | 112 | 145.6 Ų | 145.6 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | 174.5 | 122 | 127.6 | -81.2 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 17 | F | 33.1 | Very low | 36.1 | Very low | 212 Ų | 212 | 146.2 Ų | 146.2 | 93% | 0.93 | 78% | 0.776 | S | S | * | * | -159.2 | 112.6 | 126.7 | -129.5 | -82.5 | 0 | 0 | 0 | 111.3 | |||||
| 18 | L | 36.3 | Very low | 36 | Very low | 144 Ų | 144 | 147.9 Ų | 147.9 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | trans | -99.1 | 138.9 | 177.4 | -84.5 | 160.2 | 0 | 0 | 0 | 111.2 | ||||
| 19 | I | 35.7 | Very low | 36.3 | Very low | 152 Ų | 152 | 148.7 Ų | 148.7 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | trans | 40 | 99.6 | 138.9 | -55 | 177.9 | 0 | 0 | 0 | 117.3 | ||||
| 20 | G | 34.1 | Very low | 36.3 | Very low | 70 Ų | 70 | 147.5 Ų | 147.5 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | 85.8 | 164.1 | 97 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 21 | K | 37 | Very low | 36.5 | Very low | 211 Ų | 211 | 146.5 Ų | 146.5 | 92% | 0.917 | 76% | 0.761 | S | S | * | * | trans | -144.2 | 126.1 | 162.9 | -72.4 | -169.8 | 177.6 | 174.2 | 0 | 110.5 | ||||
| 22 | N | 38.5 | Very low | 37.1 | Very low | 154 Ų | 154 | 145.5 Ų | 145.5 | 82% | 0.824 | 76% | 0.756 | S | S | * | * | trans | -89.3 | 157.7 | 174.6 | -69.1 | -33.4 | 0 | 0 | 0 | 111.7 | ||||
| 23 | S | 37.2 | Very low | 37.4 | Very low | 105 Ų | 105 | 143.7 Ų | 143.7 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | 147.1 | 125.6 | 110.3 | -68.4 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 24 | F | 37.7 | Very low | 37.8 | Very low | 193 Ų | 193 | 146.3 Ų | 146.3 | 85% | 0.846 | 75% | 0.748 | S | S | * | * | -174.2 | 105.9 | 128 | -100.5 | -78.9 | 0 | 0 | 0 | 104.7 | |||||
| 25 | K | 38.5 | Very low | 38.3 | Very low | 178 Ų | 178 | 144.4 Ų | 144.4 | 77% | 0.774 | 74% | 0.743 | S | S | * | * | 54 | 122 | 93 | -73.6 | -168.6 | 173.9 | -174 | 0 | 113.3 | |||||
| 26 | T | 38.3 | Very low | 38.5 | Very low | 104 Ų | 104 | 144.6 Ų | 144.6 | 64% | 0.638 | 74% | 0.74 | S | S | * | * | cis | -149.8 | -154.4 | -0.7 | -8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 27 | E | 40.6 | Very low | 38.7 | Very low | 156 Ų | 156 | 147 Ų | 147 | 73% | 0.729 | 74% | 0.739 | S | S | * | * | cis | -152.4 | -154.5 | 19.3 | -153.6 | 49.9 | -87.7 | 0 | 0 | 111.7 | ||||
| 28 | R | 33.4 | Very low | 39 | Very low | 201 Ų | 201 | 143.1 Ų | 143.1 | 76% | 0.758 | 73% | 0.725 | S | S | * | * | trans | -150.2 | -174.4 | -172 | -102.1 | -172.3 | -174.4 | -148.2 | 2.7 | 109 | ||||
| 29 | P | 44.2 | Very low | 39.1 | Very low | 112 Ų | 112 | 142.2 Ų | 142.2 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | cis | -124.7 | 178.7 | 6.7 | 43.5 | -27.8 | 0 | 0 | 0 | 113.1 | ||||
| 30 | N | 40.1 | Very low | 39.3 | Very low | 102 Ų | 102 | 141.3 Ų | 141.3 | 55% | 0.545 | 72% | 0.717 | S | S | . | * | cis | -132.4 | -144.5 | 12.1 | -144.1 | 15.9 | 0 | 0 | 0 | 110 | ||||
| 31 | E | 42 | Very low | 39.5 | Very low | 144 Ų | 144 | 145.7 Ų | 145.7 | 67% | 0.673 | 72% | 0.722 | S | S | * | * | cis | -143.4 | -175.2 | 5.3 | -145.8 | 111.1 | -111.1 | 0 | 0 | 110.6 | ||||
| 32 | D | 45 | Very low | 39.6 | Very low | 125 Ų | 125 | 138.5 Ų | 138.5 | 67% | 0.668 | 71% | 0.708 | S | S | * | * | trans | -34.9 | 149.7 | 173.6 | -50.1 | -12.8 | 0 | 0 | 0 | 115.9 | ||||
| 33 | D | 41.7 | Very low | 39.7 | Very low | 112 Ų | 112 | 139.7 Ų | 139.7 | 60% | 0.599 | 71% | 0.708 | S | S | * | * | cis | -161.5 | 152.9 | 9.6 | -125.9 | -9.1 | 0 | 0 | 0 | 112.3 | ||||
| 34 | Y | 42.1 | Very low | 39.8 | Very low | 192 Ų | 192 | 141 Ų | 141 | 75% | 0.753 | 71% | 0.707 | S | S | * | * | trans | 39.9 | 142.9 | 158.7 | -55.8 | -61.5 | 0 | 0 | 0 | 122.5 | ||||
| 35 | D | 40.7 | Very low | 39.9 | Very low | 127 Ų | 127 | 138.8 Ų | 138.8 | 68% | 0.679 | 70% | 0.703 | S | S | * | * | cis | -161 | 170.1 | -6.9 | -133 | -25.1 | 0 | 0 | 0 | 114.3 | ||||
| 36 | N | 38.3 | Very low | 40 | Very low | 131 Ų | 131 | 135.1 Ų | 135.1 | 70% | 0.701 | 70% | 0.698 | S | S | * | * | trans | -39.5 | 169.6 | 173.1 | -70.7 | -76.6 | 0 | 0 | 0 | 119.4 | ||||
| 37 | E | 38.5 | Very low | 40 | Very low | 162 Ų | 162 | 137.6 Ų | 137.6 | 76% | 0.757 | 70% | 0.702 | S | S | * | * | cis | -152.3 | -175.1 | 20.1 | -108.7 | -144 | 113.8 | 0 | 0 | 109.2 | ||||
| 38 | M | 38.3 | Very low | 39.7 | Very low | 131 Ų | 131 | 137.3 Ų | 137.3 | 65% | 0.645 | 71% | 0.706 | S | S | * | * | cis | -178.8 | 170.6 | -41.4 | -97.5 | -68.8 | -165.2 | 0 | 0 | 110.5 | ||||
| 39 | N | 39.7 | Very low | 39.8 | Very low | 125 Ų | 125 | 131.5 Ų | 131.5 | 67% | 0.668 | 71% | 0.709 | S | S | * | * | trans | 70 | 149.9 | 156.9 | -61.3 | -28.3 | 0 | 0 | 0 | 119.8 | ||||
| 40 | L | 38.7 | Very low | 39.4 | Very low | 133 Ų | 133 | 133.8 Ų | 133.8 | 70% | 0.696 | 72% | 0.715 | S | S | * | * | cis | -164 | 156.1 | -8.3 | -140.2 | 68.6 | 0 | 0 | 0 | 112.3 | ||||
| 41 | I | 39.9 | Very low | 39.3 | Very low | 161 Ų | 161 | 137.8 Ų | 137.8 | 83% | 0.826 | 73% | 0.73 | S | S | * | * | trans | 65.3 | 144.9 | 159.8 | -62.7 | 160.6 | 0 | 0 | 0 | 118.1 | ||||
| 42 | G | 38.6 | Very low | 38.9 | Very low | 61 Ų | 61 | 138 Ų | 138 | 63% | 0.629 | 74% | 0.735 | S | S | * | * | cis | 152.8 | 151.8 | -12.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 43 | H | 40.3 | Very low | 38.7 | Very low | 178 Ų | 178 | 139.1 Ų | 139.1 | 82% | 0.824 | 74% | 0.74 | S | S | * | * | trans | 73.5 | 161.1 | 172 | -81.5 | 26.3 | 0 | 0 | 0 | 119.9 | ||||
| 44 | N | 40.3 | Very low | 38.5 | Very low | 132 Ų | 132 | 139.9 Ų | 139.9 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | 178.5 | 179.2 | -50.7 | -103.9 | -15.3 | 0 | 0 | 0 | 111.2 | |||||
| 45 | I | 39.1 | Very low | 38.3 | Very low | 148 Ų | 148 | 137.4 Ų | 137.4 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | trans | 81 | 114.1 | 167.9 | -52.5 | -179 | 0 | 0 | 0 | 113.2 | ||||
| 46 | C | 39.9 | Very low | 38.1 | Very low | 100 Ų | 100 | 139.6 Ų | 139.6 | 68% | 0.676 | 75% | 0.749 | S | S | * | * | 83.4 | 148 | 55.1 | -68.6 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 47 | Q | 38.8 | Very low | 38.1 | Very low | 156 Ų | 156 | 141.3 Ų | 141.3 | 73% | 0.729 | 76% | 0.757 | S | S | * | * | cis | -162.5 | 160.2 | 7.6 | -125.7 | 164.8 | 33.8 | 0 | 0 | 112.9 | ||||
| 48 | N | 34.8 | Very low | 38.2 | Very low | 151 Ų | 151 | 139.3 Ų | 139.3 | 81% | 0.807 | 75% | 0.752 | S | S | * | * | trans | 29.5 | 140.5 | 146.7 | -56.8 | -6 | 0 | 0 | 0 | 123.2 | ||||
| 49 | G | 35.1 | Very low | 38.2 | Very low | 79 Ų | 79 | 141.1 Ų | 141.1 | 81% | 0.814 | 76% | 0.759 | S | S | * | * | trans | 176.8 | 71.7 | 159 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 50 | N | 35.5 | Very low | 38.3 | Very low | 160 Ų | 160 | 140.8 Ų | 140.8 | 86% | 0.856 | 76% | 0.756 | S | S | * | * | trans | -73.4 | 138.1 | 162.4 | -76.1 | -0.2 | 0 | 0 | 0 | 110.4 | ||||
| 51 | H | 37.4 | Very low | 38.4 | Very low | 186 Ų | 186 | 139.8 Ų | 139.8 | 86% | 0.861 | 75% | 0.752 | S | S | * | * | trans | -156.8 | 159.7 | 150 | -109.7 | 65.9 | 0 | 0 | 0 | 110.6 | ||||
| 52 | N | 34.7 | Very low | 38.4 | Very low | 147 Ų | 147 | 137.5 Ų | 137.5 | 79% | 0.786 | 74% | 0.742 | S | S | * | * | trans | -133.6 | 123.1 | -172.3 | -178.5 | 19.5 | 0 | 0 | 0 | 109.3 | ||||
| 53 | I | 39.6 | Very low | 38.5 | Very low | 150 Ų | 150 | 143.9 Ų | 143.9 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | trans | -141.2 | 128.5 | -175.1 | -56.6 | -176.9 | 0 | 0 | 0 | 112.5 | ||||
| 54 | N | 37.7 | Very low | 38.3 | Very low | 127 Ų | 127 | 143 Ų | 143 | 68% | 0.679 | 74% | 0.744 | S | S | * | * | trans | -71.3 | 175.7 | -176.6 | -53.1 | -29.4 | 0 | 0 | 0 | 117.1 | ||||
| 55 | N | 37.7 | Very low | 38.4 | Very low | 140 Ų | 140 | 143.6 Ų | 143.6 | 75% | 0.749 | 75% | 0.747 | S | S | * | * | trans | 98.2 | 113.4 | 138.9 | -72.6 | -8.4 | 0 | 0 | 0 | 121.9 | ||||
| 56 | H | 36.3 | Very low | 38.5 | Very low | 173 Ų | 173 | 142.5 Ų | 142.5 | 80% | 0.801 | 74% | 0.743 | S | S | * | * | 18.5 | 139 | 127.8 | -69.9 | -79.5 | 0 | 0 | 0 | 122.4 | |||||
| 57 | I | 39.7 | Very low | 38.5 | Very low | 168 Ų | 168 | 144.2 Ų | 144.2 | 86% | 0.862 | 75% | 0.746 | S | S | * | * | trans | 179.4 | 152.4 | 132.9 | -95.4 | 151 | 0 | 0 | 0 | 108 | ||||
| 58 | N | 40.6 | Very low | 38.6 | Very low | 120 Ų | 120 | 142.9 Ų | 142.9 | 64% | 0.642 | 74% | 0.743 | S | S | * | * | cis | -167.3 | -171.3 | -37.4 | -163.8 | 58.9 | 0 | 0 | 0 | 108.2 | ||||
| 59 | E | 38.3 | Very low | 39.1 | Very low | 169 Ų | 169 | 142.3 Ų | 142.3 | 79% | 0.79 | 74% | 0.74 | S | S | * | * | trans | 87.8 | 115 | 166.9 | -60 | 169 | -160.2 | 0 | 0 | 115.3 | ||||
| 60 | N | 41 | Very low | 39.5 | Very low | 117 Ų | 117 | 146.1 Ų | 146.1 | 63% | 0.626 | 74% | 0.742 | S | S | * | * | cis | 96.1 | 143.1 | 41.2 | -77.2 | 55.2 | 0 | 0 | 0 | 111.3 | ||||
| 61 | D | 41 | Very low | 39.9 | Very low | 113 Ų | 113 | 145.1 Ų | 145.1 | 60% | 0.604 | 74% | 0.737 | S | S | * | * | cis | -164.3 | 172 | -7.4 | -83.3 | -26.1 | 0 | 0 | 0 | 107.4 | ||||
| 62 | N | 39.5 | Very low | 40.2 | Very low | 113 Ų | 113 | 143.8 Ų | 143.8 | 60% | 0.604 | 73% | 0.734 | S | S | * | * | cis | -171.3 | 173.8 | -34.3 | -83.9 | -21.7 | 0 | 0 | 0 | 108.6 | ||||
| 63 | Y | 40.7 | Very low | 40.7 | Very low | 194 Ų | 194 | 142.5 Ų | 142.5 | 76% | 0.761 | 73% | 0.727 | S | S | * | * | trans | 75.8 | 129.8 | 170.9 | -56.2 | -70.8 | 0 | 0 | 0 | 116.2 | ||||
| 64 | E | 37.2 | Very low | 40.7 | Very low | 161 Ų | 161 | 142.2 Ų | 142.2 | 75% | 0.752 | 73% | 0.727 | S | S | * | * | cis | 76.6 | 104.6 | 49.8 | -65.5 | -179.4 | 167.8 | 0 | 0 | 113.6 | ||||
| 65 | D | 40.8 | Very low | 40.7 | Very low | 144 Ų | 144 | 141.3 Ų | 141.3 | 77% | 0.77 | 72% | 0.723 | S | S | * | * | 177.1 | 142.5 | 104.1 | -111.4 | 0.4 | 0 | 0 | 0 | 114 | |||||
| 66 | D | 41.4 | Very low | 40.8 | Very low | 125 Ų | 125 | 144.1 Ų | 144.1 | 67% | 0.668 | 72% | 0.724 | S | S | * | * | trans | 19.9 | 162 | 151.3 | -66.6 | -9.4 | 0 | 0 | 0 | 125.8 | ||||
| 67 | N | 40.8 | Very low | 41 | Very low | 136 Ų | 136 | 141.4 Ų | 141.4 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | trans | 77 | 146.5 | 163 | -32.7 | -90.2 | 0 | 0 | 0 | 117 | ||||
| 68 | D | 41.6 | Very low | 40.9 | Very low | 128 Ų | 128 | 142.1 Ų | 142.1 | 68% | 0.684 | 72% | 0.72 | S | S | * | * | cis | -166.9 | 171.4 | -23.2 | -99.4 | -18.9 | 0 | 0 | 0 | 107.9 | ||||
| 69 | D | 43.6 | Very low | 40.7 | Very low | 138 Ų | 138 | 142.6 Ų | 142.6 | 74% | 0.738 | 72% | 0.721 | S | S | * | * | trans | 37.9 | 114.9 | 154.1 | -56.6 | -17.1 | 0 | 0 | 0 | 121 | ||||
| 70 | D | 44.6 | Very low | 40.7 | Very low | 159 Ų | 159 | 143.8 Ų | 143.8 | 85% | 0.85 | 73% | 0.727 | S | S | * | * | -179.3 | 147 | 98.7 | -103.1 | -26.8 | 0 | 0 | 0 | 112.5 | |||||
| 71 | D | 44.4 | Very low | 40.4 | Very low | 139 Ų | 139 | 144.5 Ų | 144.5 | 74% | 0.743 | 73% | 0.726 | S | S | * | * | trans | -76.1 | 163.5 | -169.5 | -58 | -58.1 | 0 | 0 | 0 | 115.7 | ||||
| 72 | I | 43.7 | Very low | 40.2 | Very low | 159 Ų | 159 | 145.7 Ų | 145.7 | 82% | 0.815 | 73% | 0.732 | S | S | * | * | -177.5 | 99.1 | 118.6 | -88.9 | 153.5 | 0 | 0 | 0 | 110.8 | |||||
| 73 | D | 44 | Very low | 40 | Very low | 120 Ų | 120 | 148.1 Ų | 148.1 | 64% | 0.642 | 75% | 0.745 | S | S | * | * | trans | 43.3 | 120.8 | 131.8 | -61.7 | -2.5 | 0 | 0 | 0 | 123.3 | ||||
| 74 | N | 39.1 | Very low | 39.6 | Very low | 143 Ų | 143 | 144.2 Ų | 144.2 | 77% | 0.765 | 75% | 0.746 | S | S | * | * | 81.2 | 152.4 | 126.6 | -64 | -7.6 | 0 | 0 | 0 | 122.8 | |||||
| 75 | D | 39.1 | Very low | 39.5 | Very low | 109 Ų | 109 | 142.3 Ų | 142.3 | 58% | 0.583 | 75% | 0.745 | S | S | * | * | cis | -170 | 152.7 | -39.8 | -148.7 | -12.7 | 0 | 0 | 0 | 109.7 | ||||
| 76 | Y | 39.8 | Very low | 39.2 | Very low | 198 Ų | 198 | 142.1 Ų | 142.1 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | trans | 54.7 | 161.3 | 170.1 | -63.8 | -65.9 | 0 | 0 | 0 | 117.1 | ||||
| 77 | T | 41 | Very low | 38.9 | Very low | 117 Ų | 117 | 143.7 Ų | 143.7 | 72% | 0.718 | 75% | 0.752 | S | S | * | * | cis | -159.8 | 152.1 | -4.4 | 7 | 0 | 0 | 0 | 0 | 105 | ||||
| 78 | E | 36.3 | Very low | 38.4 | Very low | 182 Ų | 182 | 146.1 Ų | 146.1 | 85% | 0.85 | 76% | 0.759 | S | S | * | * | cis | -149.7 | -166.8 | -8.7 | -154.3 | 169.4 | -159.4 | 0 | 0 | 108.3 | ||||
| 79 | L | 37.1 | Very low | 38.1 | Very low | 130 Ų | 130 | 147.3 Ų | 147.3 | 68% | 0.681 | 76% | 0.764 | S | S | * | * | trans | -101.4 | 148.6 | -178.7 | -70.2 | 132.5 | 0 | 0 | 0 | 112.9 | ||||
| 80 | H | 37 | Very low | 37.6 | Very low | 194 Ų | 194 | 148.9 Ų | 148.9 | 90% | 0.898 | 77% | 0.773 | S | S | * | * | trans | -151.5 | 113.2 | 137.7 | -118.8 | -71.9 | 0 | 0 | 0 | 114.6 | ||||
| 81 | H | 35.9 | Very low | 37.1 | Very low | 133 Ų | 133 | 146.3 Ų | 146.3 | 62% | 0.616 | 77% | 0.767 | S | S | * | * | trans | -54.7 | 160 | 163.3 | -78.2 | -86.9 | 0 | 0 | 0 | 113 | ||||
| 82 | D | 35.7 | Very low | 36.5 | Very low | 137 Ų | 137 | 149.6 Ų | 149.6 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | cis | -162.9 | -173.4 | 14.9 | -125.8 | -13.3 | 0 | 0 | 0 | 113.1 | ||||
| 83 | L | 36.9 | Very low | 36.1 | Very low | 165 Ų | 165 | 147.2 Ų | 147.2 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | trans | 92.7 | 66.5 | 165.1 | -56.1 | -179.6 | 0 | 0 | 0 | 119.1 | ||||
| 84 | S | 31.9 | Very low | 35.6 | Very low | 112 Ų | 112 | 149.3 Ų | 149.3 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | trans | -89.1 | 144.7 | 146.3 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 85 | T | 35.2 | Very low | 35.4 | Very low | 121 Ų | 121 | 151.7 Ų | 151.7 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | trans | 164.8 | 112.7 | 139.8 | -69.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 86 | V | 33.6 | Very low | 35.1 | Very low | 139 Ų | 139 | 151.7 Ų | 151.7 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | -162 | 129.7 | 121.2 | 167.7 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 87 | H | 36 | Very low | 34.9 | Very low | 159 Ų | 159 | 151 Ų | 151 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | trans | -36.3 | 136.8 | 177.2 | -75.6 | -85.9 | 0 | 0 | 0 | 119.5 | ||||
| 88 | E | 30.2 | Very low | 34.6 | Very low | 187 Ų | 187 | 153.7 Ų | 153.7 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | trans | -64.4 | 148.3 | 141.6 | -59.5 | 168.4 | 138.5 | 0 | 0 | 110.3 | ||||
| 89 | L | 35.4 | Very low | 34.6 | Very low | 152 Ų | 152 | 151 Ų | 151 | 80% | 0.796 | 80% | 0.804 | S | S | * | * | trans | -140.4 | 112.4 | 166.1 | -78.5 | 178.5 | 0 | 0 | 0 | 110.9 | S91 | L89-S91 PolarHBondContact O-N 2.92Š| ||
| 90 | D | 32.8 | Very low | 34.4 | Very low | 172 Ų | 172 | 153.9 Ų | 153.9 | 92% | 0.92 | 82% | 0.816 | S | S | * | * | trans | -55.7 | 131.6 | 158.4 | -93.3 | -46.8 | 0 | 0 | 0 | 110.4 | ||||
| 91 | S | 33.7 | Very low | 34.2 | Very low | 104 Ų | 104 | 148.9 Ų | 148.9 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | -154.7 | 84.9 | 162.4 | 55.6 | 0 | 0 | 0 | 0 | 113.1 | L89 S93 | L89-S91 PolarHBondContact O-N 2.92Å; S91-S93 PolarHBondContact O-N 3.26Å; S91-S93 VanDerWaalsContact O-N 3.14Å | ||
| 92 | H | 33 | Very low | 34 | Very low | 208 Ų | 208 | 149.2 Ų | 149.2 | 96% | 0.963 | 82% | 0.815 | S | S | * | * | trans | -61 | 106.4 | 147.6 | -82.7 | -29.7 | 0 | 0 | 0 | 108.9 | ||||
| 93 | S | 34.3 | Very low | 33.9 | Very low | 109 Ų | 109 | 148 Ų | 148 | 76% | 0.762 | 81% | 0.813 | S | S | * | * | trans | -144.9 | 147.8 | 158.5 | -164.3 | 0 | 0 | 0 | 0 | 111.1 | S91 | S91-S93 PolarHBondContact O-N 3.26Å; S91-S93 VanDerWaalsContact O-N 3.14Å | ||
| 94 | I | 34.5 | Very low | 33.6 | Very low | 164 Ų | 164 | 151.4 Ų | 151.4 | 84% | 0.841 | 81% | 0.814 | S | S | * | * | trans | -91.1 | 118 | -179.8 | -62.1 | 162 | 0 | 0 | 0 | 107.6 | ||||
| 95 | E | 34.7 | Very low | 33.6 | Very low | 194 Ų | 194 | 150.8 Ų | 150.8 | 91% | 0.907 | 81% | 0.805 | S | S | * | * | trans | -143.4 | 142.7 | 160.9 | -131.6 | 160 | -132.1 | 0 | 0 | 111 | ||||
| 96 | S | 32.8 | Very low | 33.5 | Very low | 109 Ų | 109 | 151.9 Ų | 151.9 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | trans | -117.6 | 113.7 | -162.4 | 58.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 97 | E | 35.4 | Very low | 33.6 | Very low | 182 Ų | 182 | 150.8 Ų | 150.8 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | trans | -141 | 106.6 | 169.9 | -133.8 | 167.3 | -134.7 | 0 | 0 | 115.5 | ||||
| 98 | Q | 33.7 | Very low | 33.3 | Very low | 174 Ų | 174 | 152.7 Ų | 152.7 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | trans | 33.1 | 107.9 | 144.7 | -56 | -175.6 | 33.1 | 0 | 0 | 119.4 | M100 | Q98-M100 PolarHBondContact O-N 3.21Š| ||
| 99 | T | 37.3 | Very low | 33.5 | Very low | 127 Ų | 127 | 153 Ų | 153 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | trans | -57.8 | 126.2 | 165.8 | 51.1 | 0 | 0 | 0 | 0 | 113.1 | S101 | T99-S101 VanDerWaalsContact C-N 3.32Å; T99-S101 PolarHBondContact O-N 2.67Å | ||
| 100 | M | 31.4 | Very low | 33.3 | Very low | 189 Ų | 189 | 152.2 Ų | 152.2 | 93% | 0.931 | 81% | 0.805 | S | S | * | * | trans | -71.1 | 78.6 | 169.7 | -82.1 | -74.8 | -175 | 0 | 0 | 112.2 | Q98 T102 | Q98-M100 PolarHBondContact O-N 3.21Å; M100-T102 PolarHBondContact O-N 2.97Å; M100-T102 VanDerWaalsContact O-N 3.14Å | ||
| 101 | S | 33.1 | Very low | 33.3 | Very low | 90 Ų | 90 | 150.2 Ų | 150.2 | 63% | 0.629 | 80% | 0.799 | S | S | * | * | trans | -77.6 | 95.7 | 175.2 | -59.3 | 0 | 0 | 0 | 0 | 112 | T99 T103 | T99-S101 VanDerWaalsContact C-N 3.32Å; T99-S101 PolarHBondContact O-N 2.67Å; S101-T103 PolarHBondContact O-N 3.42Å; S101-T103 PolarHBondContact O-OG1 3.12Å | ||
| 102 | T | 32.9 | Very low | 33.4 | Very low | 140 Ų | 140 | 151 Ų | 151 | 86% | 0.859 | 80% | 0.8 | S | S | * | * | trans | -56 | 94.9 | 178 | -58.2 | 0 | 0 | 0 | 0 | 112.1 | M100 R104 | M100-T102 PolarHBondContact O-N 2.97Å; M100-T102 VanDerWaalsContact O-N 3.14Å; T102-R104 PolarHBondContact O-N 2.72Å | ||
| 103 | T | 32 | Very low | 33.6 | Very low | 111 Ų | 111 | 147 Ų | 147 | 68% | 0.681 | 79% | 0.79 | S | S | * | * | trans | -82.6 | 102.2 | -169.6 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | S101 V105 | S101-T103 PolarHBondContact O-N 3.42Å; S101-T103 PolarHBondContact O-OG1 3.12Å; T103-V105 VanDerWaalsContact C-N 3.33Å; T103-V105 HydrophobicContact CG2-CG2 3.64Å; T103-V105 PolarHBondContact O-N 2.68Å | ||
| 104 | R | 32.4 | Very low | 33.7 | Very low | 236 Ų | 236 | 146.4 Ų | 146.4 | 89% | 0.891 | 78% | 0.784 | S | S | * | * | trans | -73.2 | 84.3 | 166.7 | -105.6 | -174.7 | 175.7 | 175.9 | 1.7 | 110.6 | T102 I106 | T102-R104 PolarHBondContact O-N 2.72Å; R104-I106 PolarHBondContact O-N 3.49Å; R104-I106 VanDerWaalsContact O-N 3.12Å | ||
| 105 | V | 31.9 | Very low | 33.9 | Very low | 100 Ų | 100 | 146.3 Ų | 146.3 | 61% | 0.606 | 79% | 0.785 | S | S | * | * | trans | -67.9 | 104.9 | 178 | -177.2 | 0 | 0 | 0 | 0 | 111 | T103 T107 | T103-V105 VanDerWaalsContact C-N 3.33Å; T103-V105 HydrophobicContact CG2-CG2 3.64Å; T103-V105 PolarHBondContact O-N 2.68Å; V105-T107 HydrophobicContact CG1-CG2 3.55Å | ||
| 106 | I | 33.2 | Very low | 33.9 | Very low | 143 Ų | 143 | 140.8 Ų | 140.8 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | trans | -104.3 | 71.5 | 168.9 | -52.6 | -177.8 | 0 | 0 | 0 | 109.6 | R104 K108 | R104-I106 PolarHBondContact O-N 3.49Å; R104-I106 VanDerWaalsContact O-N 3.12Å; I106-K108 PolarHBondContact O-N 3.45Å; I106-K108 VanDerWaalsContact O-N 3.16Å | ||
| 107 | T | 34.2 | Very low | 33.9 | Very low | 117 Ų | 117 | 142.7 Ų | 142.7 | 72% | 0.718 | 78% | 0.78 | S | S | * | * | trans | -80 | 91.8 | 175.2 | 43.4 | 0 | 0 | 0 | 0 | 111.9 | V105 K109 | V105-T107 HydrophobicContact CG1-CG2 3.55Å; T107-K109 PolarHBondContact O-N 2.95Å | ||
| 108 | K | 30.7 | Very low | 33.8 | Very low | 198 Ų | 198 | 141.6 Ų | 141.6 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | trans | -75.7 | 108.5 | 158 | -73.1 | -179.3 | 178.9 | 174.7 | 0 | 108.8 | I106 | I106-K108 PolarHBondContact O-N 3.45Å; I106-K108 VanDerWaalsContact O-N 3.16Å | ||
| 109 | K | 33.8 | Very low | 33.6 | Very low | 194 Ų | 194 | 140.7 Ų | 140.7 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | trans | -131.6 | 123.9 | 172.5 | -152 | 171.5 | -172.3 | 176.7 | 0 | 109.8 | T107 | T107-K109 PolarHBondContact O-N 2.95Š| ||
| 110 | T | 31.8 | Very low | 33.2 | Very low | 136 Ų | 136 | 141.5 Ų | 141.5 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | trans | -103 | 114.3 | -167.9 | 46.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 111 | T | 33.2 | Very low | 33.2 | Very low | 130 Ų | 130 | 142 Ų | 142 | 80% | 0.798 | 77% | 0.765 | S | S | * | * | trans | -147.3 | 89 | 171.9 | -30.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 112 | T | 35.5 | Very low | 33 | Very low | 121 Ų | 121 | 146.3 Ų | 146.3 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | -0.3 | 130.6 | 129.5 | -57.4 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 113 | T | 36.4 | Very low | 33 | Very low | 122 Ų | 122 | 145.1 Ų | 145.1 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | cis | -177.5 | -175.6 | 4.8 | 21.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 114 | P | 36.8 | Very low | 33.2 | Very low | 97 Ų | 97 | 147.4 Ų | 147.4 | 63% | 0.63 | 78% | 0.776 | S | S | * | * | cis | -136 | -172.8 | -25.6 | 34 | -13.4 | 0 | 0 | 0 | 114.6 | ||||
| 115 | N | 37.8 | Very low | 33.3 | Very low | 162 Ų | 162 | 143.3 Ų | 143.3 | 87% | 0.866 | 77% | 0.772 | S | S | * | * | trans | 70.3 | 109.5 | 153 | -64.4 | -15.2 | 0 | 0 | 0 | 120.8 | ||||
| 116 | G | 36.1 | Very low | 33.5 | Very low | 79 Ų | 79 | 143.9 Ų | 143.9 | 81% | 0.814 | 78% | 0.78 | S | S | * | * | trans | 173.6 | 92.2 | 164.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 117 | I | 33 | Very low | 33.5 | Very low | 148 Ų | 148 | 145.1 Ų | 145.1 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | trans | -96.9 | 121.2 | -164.6 | -57.2 | 168.9 | 0 | 0 | 0 | 112.7 | ||||
| 118 | I | 31.8 | Very low | 33.5 | Very low | 160 Ų | 160 | 145.7 Ų | 145.7 | 82% | 0.821 | 78% | 0.781 | S | S | * | * | trans | -136.3 | 152.3 | 145.8 | -63.3 | -171.9 | 0 | 0 | 0 | 107.8 | ||||
| 119 | H | 31.5 | Very low | 33.7 | Very low | 154 Ų | 154 | 143.2 Ų | 143.2 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | trans | -78.6 | 149.4 | -157.1 | -66.3 | -96.9 | 0 | 0 | 0 | 116.7 | ||||
| 120 | I | 28.8 | Very low | 33.7 | Very low | 144 Ų | 144 | 140.6 Ų | 140.6 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | trans | -108.2 | 141.3 | 166.9 | -62.8 | 170.9 | 0 | 0 | 0 | 108.6 | ||||
| 121 | Y | 31.2 | Very low | 33.8 | Very low | 199 Ų | 199 | 137.7 Ų | 137.7 | 78% | 0.78 | 76% | 0.758 | S | S | * | * | trans | -122.6 | 101 | 160.4 | -81.3 | -81.3 | 0 | 0 | 0 | 110 | ||||
| 122 | H | 27.5 | Very low | 33.7 | Very low | 181 Ų | 181 | 138.5 Ų | 138.5 | 84% | 0.838 | 76% | 0.757 | S | S | * | * | trans | -128.8 | 105.1 | 157.6 | -92.1 | -56.8 | 0 | 0 | 0 | 106.9 | ||||
| 123 | T | 33.6 | Very low | 33.7 | Very low | 115 Ų | 115 | 139.8 Ų | 139.8 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | trans | -146.6 | 109.1 | 178.3 | 49.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 124 | D | 35.5 | Very low | 33.5 | Very low | 159 Ų | 159 | 138.9 Ų | 138.9 | 85% | 0.85 | 75% | 0.754 | S | S | * | * | trans | -131.3 | 123.5 | 146.2 | -105.6 | -46.1 | 0 | 0 | 0 | 109.7 | ||||
| 125 | N | 35.2 | Very low | 33.4 | Very low | 150 Ų | 150 | 140.2 Ų | 140.2 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | trans | -36.9 | 130 | -168.4 | -58.3 | -73.9 | 0 | 0 | 0 | 117.6 | ||||
| 126 | S | 35.1 | Very low | 33.2 | Very low | 112 Ų | 112 | 141.1 Ų | 141.1 | 78% | 0.783 | 75% | 0.752 | S | S | * | * | -164.1 | 146.8 | 92.7 | -166.3 | 0 | 0 | 0 | 0 | 113 | |||||
| 127 | H | 35.1 | Very low | 33.2 | Very low | 169 Ų | 169 | 146 Ų | 146 | 78% | 0.782 | 75% | 0.747 | S | S | * | * | trans | -152.7 | 129.5 | 174 | -117.8 | 51 | 0 | 0 | 0 | 110.6 | ||||
| 128 | N | 32.4 | Very low | 33.3 | Very low | 130 Ų | 130 | 147.2 Ų | 147.2 | 70% | 0.695 | 75% | 0.75 | S | S | * | * | trans | 56.4 | 130.1 | 167.3 | -65 | -32.1 | 0 | 0 | 0 | 116.9 | ||||
| 129 | N | 35.3 | Very low | 33.4 | Very low | 146 Ų | 146 | 148.2 Ų | 148.2 | 78% | 0.781 | 75% | 0.748 | S | S | * | * | -155.8 | 128.4 | 61.4 | -90.3 | -75.3 | 0 | 0 | 0 | 114.9 | |||||
| 130 | N | 35 | Very low | 33.6 | Very low | 138 Ų | 138 | 148.6 Ų | 148.6 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | 71.8 | 137.6 | 122.6 | -149.7 | 11.6 | 0 | 0 | 0 | 121.6 | |||||
| 131 | S | 33.7 | Very low | 34 | Very low | 76 Ų | 76 | 148.3 Ų | 148.3 | 53% | 0.531 | 75% | 0.749 | S | S | . | * | trans | 59 | 99.7 | 149.6 | 60 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 132 | N | 31.4 | Very low | 34.1 | Very low | 146 Ų | 146 | 145.4 Ų | 145.4 | 78% | 0.781 | 75% | 0.747 | S | S | * | * | 68.5 | 140.5 | 118.5 | -54.4 | -20.1 | 0 | 0 | 0 | 121.5 | |||||
| 133 | N | 33.9 | Very low | 34.5 | Very low | 149 Ų | 149 | 143.2 Ų | 143.2 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | trans | 73.4 | 151 | 154.1 | -67.9 | -34.2 | 0 | 0 | 0 | 118.7 | ||||
| 134 | T | 33.1 | Very low | 34.5 | Very low | 103 Ų | 103 | 147.3 Ų | 147.3 | 63% | 0.632 | 75% | 0.745 | S | S | * | * | cis | -174.4 | 144.1 | -28.4 | -101.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 135 | T | 35.3 | Very low | 34.5 | Very low | 125 Ų | 125 | 146.5 Ų | 146.5 | 77% | 0.767 | 74% | 0.741 | S | S | * | * | trans | 61.5 | 163.4 | 172.7 | 51.2 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 136 | R | 33.2 | Very low | 34.7 | Very low | 181 Ų | 181 | 145.7 Ų | 145.7 | 68% | 0.683 | 74% | 0.736 | S | S | * | * | cis | -179.2 | 150.6 | -31.1 | -170.3 | 176.1 | -162.6 | 170.3 | 5.1 | 107.7 | ||||
| 137 | Y | 34.7 | Very low | 34.6 | Very low | 180 Ų | 180 | 147.1 Ų | 147.1 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | trans | 71.4 | 154.8 | 178.9 | -44.5 | -70 | 0 | 0 | 0 | 114.5 | ||||
| 138 | Q | 35.3 | Very low | 34.8 | Very low | 175 Ų | 175 | 146.1 Ų | 146.1 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | cis | -149 | 165.3 | -1.3 | -137.7 | 157.5 | -4.4 | 0 | 0 | 112.5 | ||||
| 139 | K | 34.5 | Very low | 35 | Very low | 180 Ų | 180 | 149.4 Ų | 149.4 | 78% | 0.783 | 75% | 0.747 | S | S | * | * | trans | -54.7 | 150.8 | -174 | -53.2 | 172.2 | 177.5 | -177.8 | 0 | 115.4 | ||||
| 140 | H | 36.3 | Very low | 35 | Very low | 162 Ų | 162 | 147.5 Ų | 147.5 | 75% | 0.75 | 74% | 0.74 | S | S | * | * | -179 | 131.4 | 106.5 | -101.6 | -79.8 | 0 | 0 | 0 | 114.2 | |||||
| 141 | L | 36.2 | Very low | 35.1 | Very low | 138 Ų | 138 | 149.1 Ų | 149.1 | 72% | 0.723 | 75% | 0.747 | S | S | * | * | trans | 39.8 | 108.9 | 150.5 | -58.6 | 164.8 | 0 | 0 | 0 | 119 | ||||
| 142 | N | 34 | Very low | 35.4 | Very low | 138 Ų | 138 | 151.8 Ų | 151.8 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | 66.7 | 108.4 | 74.2 | -72.6 | 51.7 | 0 | 0 | 0 | 115.6 | |||||
| 143 | N | 35.6 | Very low | 35.4 | Very low | 135 Ų | 135 | 152.4 Ų | 152.4 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | -177.8 | 142.1 | 105.7 | -100.6 | 5 | 0 | 0 | 0 | 113.8 | |||||
| 144 | Y | 33.2 | Very low | 35.6 | Very low | 202 Ų | 202 | 154.6 Ų | 154.6 | 79% | 0.792 | 77% | 0.767 | S | S | * | * | trans | 52.9 | 97 | 165.8 | -64.7 | -67.3 | 0 | 0 | 0 | 119 | ||||
| 145 | D | 36.7 | Very low | 35.7 | Very low | 142 Ų | 142 | 157 Ų | 157 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | trans | -146.1 | 98.1 | 145.9 | -149.5 | -7.1 | 0 | 0 | 0 | 106.5 | N147 | D145-N147 PolarHBondContact OD1-ND2 3.22Š| ||
| 146 | D | 39.6 | Very low | 35.6 | Very low | 132 Ų | 132 | 158.6 Ų | 158.6 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | trans | -140.6 | 110.8 | 178 | -74.9 | -55.9 | 0 | 0 | 0 | 107 | ||||
| 147 | N | 32.7 | Very low | 35.8 | Very low | 143 Ų | 143 | 157.8 Ų | 157.8 | 77% | 0.765 | 79% | 0.789 | S | S | * | * | trans | -125.4 | 77.1 | 176.6 | -71.7 | -90.4 | 0 | 0 | 0 | 108.3 | D145 | D145-N147 PolarHBondContact OD1-ND2 3.22Š| ||
| 148 | D | 38 | Very low | 36 | Very low | 148 Ų | 148 | 156.7 Ų | 156.7 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | -85.3 | 131.7 | 173 | -78 | -34.9 | 0 | 0 | 0 | 110.8 | V150 | D148-V150 PolarHBondContact O-N 2.82Š| ||
| 149 | E | 37 | Very low | 35.8 | Very low | 199 Ų | 199 | 154.9 Ų | 154.9 | 93% | 0.93 | 79% | 0.79 | S | S | * | * | trans | -81.8 | 105.6 | 177.2 | -65.1 | -179.6 | 127.3 | 0 | 0 | 110.3 | ||||
| 150 | V | 36.6 | Very low | 35.7 | Very low | 105 Ų | 105 | 152.1 Ų | 152.1 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | trans | -141.8 | 106.3 | 171.4 | -175.5 | 0 | 0 | 0 | 0 | 110.9 | D148 | D148-V150 PolarHBondContact O-N 2.82Š| ||
| 151 | I | 36 | Very low | 35.4 | Very low | 172 Ų | 172 | 152.4 Ų | 152.4 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | trans | -143.8 | 131.3 | 135.5 | -64.9 | -167.1 | 0 | 0 | 0 | 106.1 | ||||
| 152 | D | 39.6 | Very low | 35.3 | Very low | 133 Ų | 133 | 152.3 Ų | 152.3 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | trans | -85.5 | 173.7 | -163.8 | -48.4 | -95.3 | 0 | 0 | 0 | 115.3 | ||||
| 153 | D | 33 | Very low | 35.2 | Very low | 159 Ų | 159 | 153.7 Ų | 153.7 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | -58.4 | 139.2 | 178.2 | -51.7 | -64 | 0 | 0 | 0 | 113.6 | ||||
| 154 | M | 36.4 | Very low | 34.9 | Very low | 194 Ų | 194 | 152.6 Ų | 152.6 | 96% | 0.956 | 80% | 0.798 | S | S | * | * | trans | -150.8 | 81.4 | 156.1 | -82.6 | -155.1 | 165.5 | 0 | 0 | 110.7 | ||||
| 155 | D | 35.2 | Very low | 34.9 | Very low | 155 Ų | 155 | 150.6 Ų | 150.6 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | trans | -109.2 | 168.7 | 153.7 | -86.4 | -47.6 | 0 | 0 | 0 | 108.3 | ||||
| 156 | D | 35.2 | Very low | 34.7 | Very low | 157 Ų | 157 | 149.7 Ų | 149.7 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | trans | 60.5 | 92.2 | 174.2 | -62.2 | -22.7 | 0 | 0 | 0 | 117.9 | ||||
| 157 | D | 36.9 | Very low | 34.2 | Very low | 164 Ų | 164 | 151.4 Ų | 151.4 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | -161.1 | 175 | 126.6 | -132.9 | -30.9 | 0 | 0 | 0 | 113.2 | |||||
| 158 | I | 38.6 | Very low | 34.3 | Very low | 158 Ų | 158 | 152.6 Ų | 152.6 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | trans | 73.8 | 78 | 179.9 | -43.4 | 177.9 | 0 | 0 | 0 | 114.5 | ||||
| 159 | N | 29.8 | Very low | 33.8 | Very low | 137 Ų | 137 | 153 Ų | 153 | 73% | 0.733 | 81% | 0.806 | S | S | * | * | trans | -113.5 | 115 | 141.8 | -178.9 | 53.5 | 0 | 0 | 0 | 109.1 | ||||
| 160 | C | 34.3 | Very low | 33.7 | Very low | 121 Ų | 121 | 150.8 Ų | 150.8 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -151.1 | 111.5 | 167.6 | -86.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 161 | E | 29.3 | Very low | 33.4 | Very low | 169 Ų | 169 | 151.5 Ų | 151.5 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | trans | -71.7 | 142.3 | 158 | -63.5 | 155.9 | 134.6 | 0 | 0 | 107.5 | ||||
| 162 | D | 33.2 | Very low | 33.2 | Very low | 135 Ų | 135 | 151 Ų | 151 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | -178.5 | 161.8 | 105.9 | -129.1 | -19.3 | 0 | 0 | 0 | 116.4 | |||||
| 163 | Q | 32.7 | Very low | 32.8 | Very low | 167 Ų | 167 | 152.4 Ų | 152.4 | 78% | 0.78 | 81% | 0.805 | S | S | * | * | trans | 59 | 114.7 | 149.7 | -72.9 | 162.1 | 53.5 | 0 | 0 | 121.5 | ||||
| 164 | S | 28.9 | Very low | 32.8 | Very low | 113 Ų | 113 | 150.2 Ų | 150.2 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | trans | -79.7 | 144.9 | 171 | 51.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 165 | I | 33.7 | Very low | 32.6 | Very low | 160 Ų | 160 | 148 Ų | 148 | 82% | 0.821 | 79% | 0.793 | S | S | * | * | trans | -135.8 | 118.9 | 154.3 | -60.9 | -176.4 | 0 | 0 | 0 | 110.7 | ||||
| 166 | N | 32.6 | Very low | 32.4 | Very low | 123 Ų | 123 | 149.8 Ų | 149.8 | 66% | 0.658 | 79% | 0.79 | S | S | * | * | trans | 17.3 | 126.4 | 157 | -63.2 | 52.6 | 0 | 0 | 0 | 122.4 | ||||
| 167 | E | 29.6 | Very low | 32.2 | Very low | 168 Ų | 168 | 151.7 Ų | 151.7 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | 40.7 | 122.3 | 119.2 | -55.9 | 166 | 144.3 | 0 | 0 | 120.3 | |||||
| 168 | L | 33.2 | Very low | 31.9 | Very low | 168 Ų | 168 | 152 Ų | 152 | 88% | 0.88 | 78% | 0.782 | S | S | * | * | -157.6 | 121.1 | 128.9 | -118.9 | 163 | 0 | 0 | 0 | 110.2 | |||||
| 169 | D | 27.9 | Very low | 31.6 | Very low | 155 Ų | 155 | 150.2 Ų | 150.2 | 83% | 0.829 | 78% | 0.781 | S | S | * | * | trans | -66.5 | 133.9 | 176.9 | -75.5 | -56.2 | 0 | 0 | 0 | 112 | ||||
| 170 | I | 34.8 | Very low | 31.7 | Very low | 154 Ų | 154 | 154.8 Ų | 154.8 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | -133.2 | 110.6 | 157.4 | -59.2 | -177.4 | 0 | 0 | 0 | 107.8 | D172 | I170-D172 PolarHBondContact O-N 3.01Š| ||
| 171 | T | 31.2 | Very low | 31.5 | Very low | 120 Ų | 120 | 154.6 Ų | 154.6 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | trans | -73.1 | 113.4 | 174.9 | 48.7 | 0 | 0 | 0 | 0 | 110.3 | E173 | T171-E173 VanDerWaalsContact C-N 3.28Å; T171-E173 PolarHBondContact O-N 2.84Å | ||
| 172 | D | 32.3 | Very low | 31.5 | Very low | 160 Ų | 160 | 158 Ų | 158 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | -81.5 | 65.9 | -171.3 | -152.9 | 26.5 | 0 | 0 | 0 | 112.6 | I170 | I170-D172 PolarHBondContact O-N 3.01Š| ||
| 173 | E | 30.9 | Very low | 31.3 | Very low | 163 Ų | 163 | 156.5 Ų | 156.5 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | trans | -81.5 | 139.7 | 172.1 | -74.3 | -158.9 | 130.4 | 0 | 0 | 112.6 | T171 | T171-E173 VanDerWaalsContact C-N 3.28Å; T171-E173 PolarHBondContact O-N 2.84Å | ||
| 174 | S | 31.4 | Very low | 31.3 | Very low | 114 Ų | 114 | 156.8 Ų | 156.8 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | 76.8 | 52.3 | 154.4 | 77.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 175 | I | 34 | Very low | 31.3 | Very low | 146 Ų | 146 | 157.8 Ų | 157.8 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | trans | -119.5 | 75.2 | 152.2 | -48.6 | -175.7 | 0 | 0 | 0 | 112.4 | Y177 | I175-Y177 HydrophobicContact CG2-CD2 4.04Š| ||
| 176 | Y | 29.6 | Very low | 31 | Very low | 194 Ų | 194 | 156.4 Ų | 156.4 | 76% | 0.761 | 79% | 0.786 | S | S | * | * | trans | -86.3 | 110.9 | 165.3 | -122.2 | -91.5 | 0 | 0 | 0 | 109.8 | ||||
| 177 | Y | 32.2 | Very low | 30.9 | Very low | 197 Ų | 197 | 156.2 Ų | 156.2 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -124.5 | 115.3 | 171.5 | -106.6 | -69.9 | 0 | 0 | 0 | 111.2 | I175 | I175-Y177 HydrophobicContact CG2-CD2 4.04Š| ||
| 178 | E | 30.3 | Very low | 30.8 | Very low | 169 Ų | 169 | 154.1 Ų | 154.1 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | -64.3 | 139.8 | 178.9 | -72.6 | -166.2 | 115.1 | 0 | 0 | 112.8 | Y180 | E178-Y180 PolarHBondContact O-N 3.39Š| ||
| 179 | P | 32.1 | Very low | 30.9 | Very low | 121 Ų | 121 | 154.3 Ų | 154.3 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | trans | -74.2 | 106.7 | 169.5 | 30.3 | -32.4 | 0 | 0 | 0 | 110.4 | S181 | P179-S181 PolarHBondContact O-N 3.27Š| ||
| 180 | Y | 30.8 | Very low | 31 | Very low | 233 Ų | 233 | 150.3 Ų | 150.3 | 91% | 0.914 | 78% | 0.784 | S | S | * | * | trans | -42 | 110 | 176.3 | -98 | -83.4 | 0 | 0 | 0 | 113.2 | E178 R182 | E178-Y180 PolarHBondContact O-N 3.39Å; Y180-R182 PolarHBondContact O-N 2.82Å; Y180-R182 VanDerWaalsContact O-N 3.09Å | ||
| 181 | S | 30 | Very low | 31.1 | Very low | 118 Ų | 118 | 153.2 Ų | 153.2 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | -63.7 | 110.5 | 178.4 | -84.7 | 0 | 0 | 0 | 0 | 111.5 | P179 S183 | P179-S181 PolarHBondContact O-N 3.27Å; S181-S183 PolarHBondContact O-N 3.4Å | ||
| 182 | R | 29.8 | Very low | 31.1 | Very low | 241 Ų | 241 | 150.4 Ų | 150.4 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | trans | -75.6 | 89.5 | -179.1 | -168.4 | -175.9 | -168.7 | -155.2 | 4.6 | 110.6 | Y180 Q184 | Y180-R182 PolarHBondContact O-N 2.82Å; Y180-R182 VanDerWaalsContact O-N 3.09Å; R182-Q184 PolarHBondContact O-N 2.69Å | ||
| 183 | S | 29.6 | Very low | 31.4 | Very low | 103 Ų | 103 | 149.7 Ų | 149.7 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | trans | -48.3 | 107 | -179.6 | 61.1 | 0 | 0 | 0 | 0 | 113 | S181 I185 | S181-S183 PolarHBondContact O-N 3.4Å; S183-I185 PolarHBondContact O-N 3.02Å | ||
| 184 | Q | 31.4 | Very low | 31.4 | Very low | 172 Ų | 172 | 149.9 Ų | 149.9 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -77.4 | 119.1 | 165.8 | -67.2 | -167.6 | 13 | 0 | 0 | 108.8 | R182 N186 | R182-Q184 PolarHBondContact O-N 2.69Å; Q184-N186 PolarHBondContact O-N 2.9Å; Q184-N186 VanDerWaalsContact O-N 3.15Å | ||
| 185 | I | 29.3 | Very low | 31.6 | Very low | 135 Ų | 135 | 150.8 Ų | 150.8 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | trans | -83.1 | 92.4 | 179.2 | -54.1 | 178 | 0 | 0 | 0 | 108.4 | S183 V187 | S183-I185 PolarHBondContact O-N 3.02Å; I185-V187 HydrophobicContact CG2-CG2 3.82Å; I185-V187 PolarHBondContact O-N 2.69Å | ||
| 186 | N | 27.2 | Very low | 31.5 | Very low | 130 Ų | 130 | 150.6 Ų | 150.6 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | trans | -70.4 | 96.6 | 170 | -82.6 | -17 | 0 | 0 | 0 | 110.3 | Q184 T188 | Q184-N186 PolarHBondContact O-N 2.9Å; Q184-N186 VanDerWaalsContact O-N 3.15Å; N186-T188 PolarHBondContact O-N 3.5Å | ||
| 187 | V | 30.8 | Very low | 31.6 | Very low | 119 Ų | 119 | 148.7 Ų | 148.7 | 72% | 0.721 | 78% | 0.782 | S | S | * | * | trans | -85.9 | 80.9 | 170.9 | -173.3 | 0 | 0 | 0 | 0 | 109.4 | I185 L189 | I185-V187 HydrophobicContact CG2-CG2 3.82Å; I185-V187 PolarHBondContact O-N 2.69Å; V187-L189 PolarHBondContact O-N 2.93Å | ||
| 188 | T | 28.9 | Very low | 31.7 | Very low | 125 Ų | 125 | 145.5 Ų | 145.5 | 77% | 0.767 | 78% | 0.784 | S | S | * | * | trans | -78.3 | 103.7 | 175.2 | 51.1 | 0 | 0 | 0 | 0 | 111.1 | N186 G190 | N186-T188 PolarHBondContact O-N 3.5Å; T188-G190 PolarHBondContact O-N 2.71Å | ||
| 189 | L | 34 | Very low | 31.8 | Very low | 171 Ų | 171 | 144.7 Ų | 144.7 | 90% | 0.895 | 78% | 0.784 | S | S | * | * | trans | -80.1 | 102.8 | 165.2 | -83.4 | 164.2 | 0 | 0 | 0 | 109.2 | V187 | V187-L189 PolarHBondContact O-N 2.93Š| ||
| 190 | G | 29.6 | Very low | 31.7 | Very low | 71 Ų | 71 | 146.2 Ų | 146.2 | 73% | 0.732 | 79% | 0.786 | S | S | * | * | trans | -84 | 144.9 | -169.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | T188 | T188-G190 PolarHBondContact O-N 2.71Š| ||
| 191 | K | 37.8 | Very low | 31.9 | Very low | 215 Ų | 215 | 144.6 Ų | 144.6 | 94% | 0.935 | 78% | 0.783 | S | S | * | * | trans | -171.6 | 133.5 | 155.7 | -96.1 | 165.3 | -174.7 | -179.5 | 0 | 105.4 | ||||
| 192 | G | 30.8 | Very low | 32.1 | Very low | 62 Ų | 62 | 150.6 Ų | 150.6 | 64% | 0.639 | 79% | 0.788 | S | S | * | * | cis | 148.2 | 128.9 | -1.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 193 | N | 38.5 | Very low | 32.3 | Very low | 145 Ų | 145 | 144.6 Ų | 144.6 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | trans | 79.9 | 119.5 | -167.4 | -50.4 | -33.5 | 0 | 0 | 0 | 113 | ||||
| 194 | Q | 31.3 | Very low | 32.4 | Very low | 167 Ų | 167 | 145.6 Ų | 145.6 | 78% | 0.78 | 79% | 0.787 | S | S | * | * | 72.4 | 132.2 | 58.3 | -64.7 | -173.1 | 101.6 | 0 | 0 | 111.8 | |||||
| 195 | L | 34.8 | Very low | 32.5 | Very low | 133 Ų | 133 | 146.3 Ų | 146.3 | 70% | 0.696 | 79% | 0.787 | S | S | * | * | cis | -143.6 | 151.8 | 30 | -75.4 | 167 | 0 | 0 | 0 | 115.5 | ||||
| 196 | N | 33.5 | Very low | 32.7 | Very low | 141 Ų | 141 | 145.5 Ų | 145.5 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | trans | 59.4 | 124 | 141.7 | -58.4 | 1.2 | 0 | 0 | 0 | 123.5 | ||||
| 197 | D | 30.1 | Very low | 32.8 | Very low | 154 Ų | 154 | 147.5 Ų | 147.5 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | trans | -60.8 | 162 | 154.4 | -60.4 | -85.1 | 0 | 0 | 0 | 114.1 | ||||
| 198 | T | 34.7 | Very low | 32.9 | Very low | 131 Ų | 131 | 146 Ų | 146 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -164.9 | 128.5 | 134.8 | 9.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 199 | L | 32.6 | Very low | 32.9 | Very low | 151 Ų | 151 | 145.1 Ų | 145.1 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | 51.7 | 116.5 | 153.9 | -88.1 | 76.8 | 0 | 0 | 0 | 122.4 | ||||
| 200 | N | 30.8 | Very low | 32.9 | Very low | 154 Ų | 154 | 144.3 Ų | 144.3 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | trans | -26.1 | 134 | 141.5 | -73.2 | -55.1 | 0 | 0 | 0 | 117 | ||||
| 201 | K | 34.4 | Very low | 33.2 | Very low | 198 Ų | 198 | 147.5 Ų | 147.5 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | -172.4 | 134.5 | 129.2 | -102.8 | 152.7 | -174.2 | 174.4 | 0 | 113.5 | |||||
| 202 | R | 33.5 | Very low | 32.8 | Very low | 244 Ų | 244 | 144.8 Ų | 144.8 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | trans | -68.2 | 151.5 | 160.8 | -77.8 | -178.7 | 169.2 | 178.8 | -2.1 | 109.5 | ||||
| 203 | P | 34.7 | Very low | 33.1 | Very low | 115 Ų | 115 | 148.3 Ų | 148.3 | 75% | 0.747 | 81% | 0.807 | S | S | * | * | -153.6 | 158.7 | 86.9 | 40.3 | -21.6 | 0 | 0 | 0 | 118.7 | |||||
| 204 | S | 31.5 | Very low | 32.8 | Very low | 124 Ų | 124 | 147.9 Ų | 147.9 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | trans | 63.9 | 143.6 | 140.4 | -64.2 | 0 | 0 | 0 | 0 | 124 | ||||
| 205 | K | 33.1 | Very low | 32.6 | Very low | 187 Ų | 187 | 150 Ų | 150 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | trans | -70.6 | 157.5 | 178.8 | -52.7 | 169.3 | 179.6 | 177.1 | 0 | 113.6 | ||||
| 206 | S | 33.8 | Very low | 32.3 | Very low | 119 Ų | 119 | 151 Ų | 151 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | -134.8 | 160.4 | 141.4 | 64 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 207 | H | 30 | Very low | 32.1 | Very low | 172 Ų | 172 | 151 Ų | 151 | 80% | 0.796 | 81% | 0.809 | S | S | * | * | trans | -103.8 | 147.4 | -172.8 | -81.9 | -111.3 | 0 | 0 | 0 | 112.6 | ||||
| 208 | G | 32.9 | Very low | 32.1 | Very low | 87 Ų | 87 | 149.4 Ų | 149.4 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | trans | -147.7 | 88.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 209 | S | 29.4 | Very low | 32 | Very low | 107 Ų | 107 | 152.2 Ų | 152.2 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | trans | -102.9 | 132.6 | -177.2 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 210 | L | 34.1 | Very low | 31.9 | Very low | 153 Ų | 153 | 150.8 Ų | 150.8 | 80% | 0.801 | 81% | 0.806 | S | S | * | * | trans | -147.8 | 104.7 | 157.2 | -96.7 | 177.4 | 0 | 0 | 0 | 112.7 | ||||
| 211 | N | 35.1 | Very low | 31.8 | Very low | 139 Ų | 139 | 151.2 Ų | 151.2 | 74% | 0.743 | 81% | 0.808 | S | S | * | * | trans | 64.7 | 107 | 140.8 | -61.1 | -1.6 | 0 | 0 | 0 | 122.8 | ||||
| 212 | N | 29.8 | Very low | 31.8 | Very low | 158 Ų | 158 | 151.6 Ų | 151.6 | 85% | 0.845 | 81% | 0.81 | S | S | * | * | trans | -43.3 | 146.4 | 147.5 | -83.6 | -44 | 0 | 0 | 0 | 115.5 | ||||
| 213 | T | 37.3 | Very low | 31.6 | Very low | 136 Ų | 136 | 145 Ų | 145 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | trans | -148.5 | 98.8 | 138.6 | 11.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 214 | N | 31 | Very low | 31.5 | Very low | 136 Ų | 136 | 148.5 Ų | 148.5 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | -59.6 | 130.8 | 176.2 | 159.5 | 26 | 0 | 0 | 0 | 114.1 | K216 | N214-K216 PolarHBondContact OD1-N 3.4Š| ||
| 215 | W | 27.2 | Very low | 31.5 | Very low | 211 Ų | 211 | 150.9 Ų | 150.9 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | trans | -142.7 | 102.6 | 155 | -79 | 104.4 | 0 | 0 | 0 | 114.7 | ||||
| 216 | K | 29.5 | Very low | 31.3 | Very low | 154 Ų | 154 | 152.9 Ų | 152.9 | 67% | 0.67 | 81% | 0.806 | S | S | * | * | trans | 48.3 | 115.3 | 144.9 | -68.7 | -177.8 | 178.1 | 177.6 | 0 | 120.7 | N214 | N214-K216 PolarHBondContact OD1-N 3.4Š| ||
| 217 | V | 28 | Very low | 31.3 | Very low | 140 Ų | 140 | 153.2 Ų | 153.2 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | trans | -56.4 | 133.3 | 151.6 | 176.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 218 | V | 30.6 | Very low | 31.4 | Very low | 122 Ų | 122 | 152.8 Ų | 152.8 | 74% | 0.739 | 81% | 0.805 | S | S | * | * | trans | -131.6 | 129.4 | 167.8 | 179.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 219 | K | 32.1 | Very low | 31.3 | Very low | 189 Ų | 189 | 153.1 Ų | 153.1 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 134.3 | 174.6 | -65 | -178.2 | 179 | -178.7 | 0 | 110.7 | ||
| 220 | P | 31.3 | Very low | 31.4 | Very low | 121 Ų | 121 | 154.5 Ų | 154.5 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 157.7 | 153.4 | 33 | -24.1 | 0 | 0 | 0 | 112 | ||
| 221 | N | 29.3 | Very low | 31.3 | Very low | 163 Ų | 163 | 152.6 Ų | 152.6 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 162 | -158.4 | -64.2 | -39.1 | 0 | 0 | 0 | 118 | ||
| 222 | K | 32.7 | Very low | 31.2 | Very low | 207 Ų | 207 | 154.5 Ų | 154.5 | 90% | 0.9 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 129.9 | 164.8 | -47.9 | 173.4 | -177.5 | -179.5 | 0 | 110.9 | ||
| 223 | S | 29.7 | Very low | 31.2 | Very low | 105 Ų | 105 | 158 Ų | 158 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | trans | -177.2 | 156.8 | 141.6 | 56.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 224 | K | 33.3 | Very low | 31.2 | Very low | 188 Ų | 188 | 156.8 Ų | 156.8 | 82% | 0.817 | 80% | 0.803 | S | S | * | * | trans | 71.2 | 110.6 | 177.2 | -56.6 | -171.9 | 179.1 | -170.6 | 0 | 116 | ||||
| 225 | E | 30.7 | Very low | 31.5 | Very low | 174 Ų | 174 | 156.3 Ų | 156.3 | 81% | 0.813 | 81% | 0.807 | S | S | * | * | trans | -67.8 | 147.6 | 165.8 | -65.3 | 120.6 | 130.8 | 0 | 0 | 112 | ||||
| 226 | Y | 30.2 | Very low | 31.9 | Very low | 230 Ų | 230 | 153.7 Ų | 153.7 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | trans | -93.6 | 89.5 | 160.8 | -91.3 | -95.1 | 0 | 0 | 0 | 108.9 | L228 | Y226-L228 PolarHBondContact O-N 3.49Š| ||
| 227 | V | 33.9 | Very low | 32.1 | Very low | 125 Ų | 125 | 152.5 Ų | 152.5 | 76% | 0.758 | 82% | 0.816 | S | S | * | * | trans | -69.5 | 123.2 | 162.4 | 177.6 | 0 | 0 | 0 | 0 | 107.6 | A229 | V227-A229 VanDerWaalsContact C-N 3.34Å; V227-A229 PolarHBondContact O-N 2.94Å | ||
| 228 | L | 31.4 | Very low | 32.3 | Very low | 164 Ų | 164 | 157.1 Ų | 157.1 | 86% | 0.859 | 82% | 0.818 | S | S | * | * | trans | -71.7 | 89.7 | 175.7 | -77.6 | 167.9 | 0 | 0 | 0 | 109.7 | Y226 V230 | Y226-L228 PolarHBondContact O-N 3.49Å; L228-V230 PolarHBondContact O-N 3.43Å | ||
| 229 | A | 31.3 | Very low | 32.3 | Very low | 94 Ų | 94 | 158 Ų | 158 | 78% | 0.777 | 82% | 0.819 | S | S | * | * | trans | -61.8 | 109.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | V227 S231 | V227-A229 VanDerWaalsContact C-N 3.34Å; V227-A229 PolarHBondContact O-N 2.94Å; A229-S231 PolarHBondContact O-N 2.84Å | ||
| 230 | V | 31.3 | Very low | 32.4 | Very low | 135 Ų | 135 | 156.5 Ų | 156.5 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 120.1 | 167.9 | 176.7 | 0 | 0 | 0 | 0 | 108.1 | L228 Q232 | L228-V230 PolarHBondContact O-N 3.43Å; V230-Q232 PolarHBondContact O-N 2.7Å; V230-Q232 VanDerWaalsContact O-N 3.16Å |
| 231 | S | 31.7 | Very low | 32.3 | Very low | 114 Ų | 114 | 157.2 Ų | 157.2 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 117.9 | -177.3 | -174.8 | 0 | 0 | 0 | 0 | 111 | A229 R233 | A229-S231 PolarHBondContact O-N 2.84Å; S231-R233 PolarHBondContact O-N 2.8Å |
| 232 | Q | 32 | Very low | 32.4 | Very low | 178 Ų | 178 | 156.4 Ų | 156.4 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 133.1 | 176.2 | -73.2 | -168.1 | -0.4 | 0 | 0 | 110.6 | V230 | V230-Q232 PolarHBondContact O-N 2.7Å; V230-Q232 VanDerWaalsContact O-N 3.16Å |
| 233 | R | 31.1 | Very low | 32.5 | Very low | 232 Ų | 232 | 156.1 Ų | 156.1 | 88% | 0.875 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 133 | 176.3 | -162.8 | -178 | -164.4 | -175.1 | 7 | 109.5 | S231 | S231-R233 PolarHBondContact O-N 2.8Š|
| 234 | P | 38 | Very low | 32.7 | Very low | 110 Ų | 110 | 158.4 Ų | 158.4 | 71% | 0.714 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 135.9 | -178.2 | -26.5 | 34.3 | 0 | 0 | 0 | 112.2 | L236 | P234-L236 PolarHBondContact O-N 3.11Š|
| 235 | P | 36.1 | Very low | 32.5 | Very low | 127 Ų | 127 | 159.2 Ų | 159.2 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 130 | 179.7 | 26.3 | -33.7 | 0 | 0 | 0 | 110.6 | ||
| 236 | L | 36.4 | Very low | 32.6 | Very low | 155 Ų | 155 | 153.9 Ų | 153.9 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 134.8 | 174.4 | -75.1 | 168.8 | 0 | 0 | 0 | 110.1 | P234 R238 | P234-L236 PolarHBondContact O-N 3.11Å; L236-R238 PolarHBondContact O-N 2.84Å |
| 237 | P | 32.5 | Very low | 32.9 | Very low | 129 Ų | 129 | 154.4 Ų | 154.4 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | trans | -71.1 | 97.9 | -174.9 | 28.1 | -35 | 0 | 0 | 0 | 111.9 | ||||
| 238 | R | 31.9 | Very low | 32.7 | Very low | 238 Ų | 238 | 159.1 Ų | 159.1 | 90% | 0.898 | 82% | 0.817 | S | S | * | * | trans | -102.6 | 74.6 | 171.7 | -81.1 | -169.4 | 169.6 | -166.7 | 0.6 | 112 | L236 | L236-R238 PolarHBondContact O-N 2.84Š| ||
| 239 | N | 32.2 | Very low | 32.9 | Very low | 140 Ų | 140 | 156.7 Ų | 156.7 | 75% | 0.749 | 81% | 0.811 | S | S | * | * | trans | -160.4 | 94.8 | 152.5 | -149.6 | -23.8 | 0 | 0 | 0 | 114.7 | ||||
| 240 | I | 33.2 | Very low | 33.1 | Very low | 158 Ų | 158 | 157.1 Ų | 157.1 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | trans | -140.1 | 95.7 | 144.7 | -58.6 | -174.1 | 0 | 0 | 0 | 108.7 | ||||
| 241 | Q | 29.7 | Very low | 33 | Very low | 136 Ų | 136 | 160.4 Ų | 160.4 | 64% | 0.636 | 81% | 0.806 | S | S | * | * | trans | 38.4 | 107 | 140.9 | -58.4 | 175.4 | -2.6 | 0 | 0 | 119.2 | ||||
| 242 | T | 32.3 | Very low | 33.1 | Very low | 145 Ų | 145 | 166.1 Ų | 166.1 | 89% | 0.89 | 81% | 0.81 | S | S | * | * | trans | -122.1 | 145.3 | 134.4 | 41.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 243 | Y | 33.8 | Very low | 33.1 | Very low | 202 Ų | 202 | 163.4 Ų | 163.4 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 163.7 | -164.9 | -100.3 | -104.3 | 0 | 0 | 0 | 114.3 | ||
| 244 | N | 33.5 | Very low | 33.3 | Very low | 153 Ų | 153 | 160 Ų | 160 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 161.9 | -167.3 | -68.9 | -18 | 0 | 0 | 0 | 118 | ||
| 245 | H | 30 | Very low | 33 | Very low | 204 Ų | 204 | 158.9 Ų | 158.9 | 94% | 0.944 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 155.9 | 164.9 | -82.3 | -43.6 | 0 | 0 | 0 | 115.5 | ||
| 246 | G | 33.3 | Very low | 32.9 | Very low | 63 Ų | 63 | 161.6 Ų | 161.6 | 65% | 0.649 | 79% | 0.787 | S | S | * | * | trans | -172.5 | 88.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 247 | Y | 35.4 | Very low | 32.9 | Very low | 241 Ų | 241 | 160.4 Ų | 160.4 | 95% | 0.945 | 79% | 0.786 | S | S | * | * | trans | 67.6 | 127.5 | 157.3 | -63.6 | -87.3 | 0 | 0 | 0 | 121.8 | ||||
| 248 | Y | 29.6 | Very low | 32.7 | Very low | 224 Ų | 224 | 161.3 Ų | 161.3 | 88% | 0.878 | 78% | 0.784 | S | S | * | * | trans | -69 | 176.4 | 159.5 | -88.2 | -77.8 | 0 | 0 | 0 | 111.7 | ||||
| 249 | P | 36.7 | Very low | 32.8 | Very low | 112 Ų | 112 | 159.2 Ų | 159.2 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | cis | -149.2 | 173.9 | 27.6 | 44.2 | -23.3 | 0 | 0 | 0 | 121.1 | ||||
| 250 | S | 34.2 | Very low | 32.7 | Very low | 104 Ų | 104 | 160.8 Ų | 160.8 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | 75 | 112.2 | 142.8 | -74.4 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 251 | R | 30.3 | Very low | 32.8 | Very low | 203 Ų | 203 | 161.4 Ų | 161.4 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | 38 | 116.6 | 129.7 | -73.7 | -174.4 | 172.8 | -108.1 | 12.1 | 121.1 | E253 | R251-E253 IonicContact NH1-OE1 2.64Å; R251-E253 PolarHBondContact NH1-OE1 3.18Å | |||
| 252 | R | 33.7 | Very low | 32.9 | Very low | 234 Ų | 234 | 159.1 Ų | 159.1 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | -176.5 | 124.7 | 101.4 | -92.5 | 171.5 | -175.3 | -169.5 | 0.9 | 107.5 | |||||
| 253 | E | 30.5 | Very low | 32.8 | Very low | 121 Ų | 121 | 160 Ų | 160 | 57% | 0.565 | 78% | 0.783 | S | S | * | * | cis | 83.2 | 138.7 | 48 | -155.9 | -174.8 | -69.6 | 0 | 0 | 112.5 | R251 | R251-E253 IonicContact NH1-OE1 2.64Å; R251-E253 PolarHBondContact NH1-OE1 3.18Å | ||
| 254 | H | 36.2 | Very low | 32.9 | Very low | 161 Ų | 161 | 158.7 Ų | 158.7 | 75% | 0.745 | 79% | 0.787 | S | S | * | * | trans | 79.8 | 149.1 | -173.7 | -46.4 | -0.8 | 0 | 0 | 0 | 116.7 | ||||
| 255 | S | 30.9 | Very low | 32.8 | Very low | 87 Ų | 87 | 159 Ų | 159 | 61% | 0.608 | 79% | 0.789 | S | S | * | * | cis | -179.8 | 131.9 | -44.4 | 50.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 256 | H | 33.7 | Very low | 33 | Very low | 183 Ų | 183 | 153 Ų | 153 | 85% | 0.847 | 78% | 0.782 | S | S | * | * | trans | 62.3 | 160.1 | 171.1 | -47.9 | -63.4 | 0 | 0 | 0 | 115.1 | ||||
| 257 | T | 36.4 | Very low | 32.8 | Very low | 130 Ų | 130 | 154.6 Ų | 154.6 | 80% | 0.798 | 78% | 0.784 | S | S | * | * | cis | -141.2 | 162.8 | 27.8 | 50.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 258 | N | 30 | Very low | 32.7 | Very low | 148 Ų | 148 | 154.5 Ų | 154.5 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | -71.3 | 159.3 | 164 | -65.2 | -28.7 | 0 | 0 | 0 | 111.4 | ||||
| 259 | E | 33 | Very low | 32.8 | Very low | 194 Ų | 194 | 149.9 Ų | 149.9 | 91% | 0.907 | 77% | 0.768 | S | S | * | * | -167.2 | 168.3 | 122 | -111.8 | 172.4 | -165.1 | 0 | 0 | 113.9 | |||||
| 260 | F | 30.6 | Very low | 32.8 | Very low | 174 Ų | 174 | 147 Ų | 147 | 76% | 0.763 | 76% | 0.759 | S | S | * | * | trans | -86.8 | 165.8 | -169.8 | -71.1 | -110.8 | 0 | 0 | 0 | 113 | ||||
| 261 | H | 34.7 | Very low | 32.7 | Very low | 171 Ų | 171 | 151.4 Ų | 151.4 | 79% | 0.792 | 77% | 0.77 | S | S | * | * | 176.6 | 109.2 | 109.4 | -96.8 | -69.1 | 0 | 0 | 0 | 116.7 | |||||
| 262 | S | 32.5 | Very low | 32.9 | Very low | 87 Ų | 87 | 145.6 Ų | 145.6 | 61% | 0.608 | 77% | 0.773 | S | S | * | * | trans | 29.5 | 116.3 | 134.9 | 57.5 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 263 | N | 29.5 | Very low | 32.7 | Very low | 165 Ų | 165 | 138.3 Ų | 138.3 | 88% | 0.882 | 77% | 0.771 | S | S | * | * | 28.9 | 123 | 128.8 | -69.2 | -20.4 | 0 | 0 | 0 | 121.1 | |||||
| 264 | I | 36.4 | Very low | 32.8 | Very low | 173 Ų | 173 | 136 Ų | 136 | 89% | 0.887 | 78% | 0.78 | S | S | * | * | trans | -130.5 | 132.1 | 150.8 | -64.4 | -177.4 | 0 | 0 | 0 | 110.1 | ||||
| 265 | N | 31.3 | Very low | 32.7 | Very low | 160 Ų | 160 | 135.4 Ų | 135.4 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | trans | -104.9 | 146.7 | -179 | -131.7 | -32.3 | 0 | 0 | 0 | 110.5 | ||||
| 266 | G | 33.2 | Very low | 33 | Very low | 77 Ų | 77 | 139 Ų | 139 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | -169.1 | 75.2 | -173 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 267 | S | 30 | Very low | 33.1 | Very low | 98 Ų | 98 | 133.8 Ų | 133.8 | 69% | 0.685 | 79% | 0.79 | S | S | * | * | trans | -86.1 | 135.5 | 176.6 | -43.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 268 | R | 34.4 | Very low | 33.4 | Very low | 239 Ų | 239 | 132.9 Ų | 132.9 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | trans | -151.5 | 133.8 | 155 | -159.8 | 169.1 | -179.4 | 176.2 | -0.4 | 112.1 | ||||
| 269 | E | 31.5 | Very low | 33.7 | Very low | 126 Ų | 126 | 135.5 Ų | 135.5 | 59% | 0.589 | 79% | 0.791 | S | S | * | * | trans | -80.9 | 156.8 | 174.1 | -63.9 | -167.9 | 119.4 | 0 | 0 | 112.1 | K321 | E269-K321 VanDerWaalsContact OE1-CE 3.3Å; E269-K321 WeakPolarHBondContact OE1-CE 3.27Å; E269-K321 IonicContact OE1-NZ 3.18Å; E269-K321 PolarHBondContact OE1-NZ 3.48Å; E269-K321 IonicContact OE2-NZ 3.32Å; E269-K321 PolarHBondContact OE2-NZ 3.45Å | ||
| 270 | G | 35.5 | Very low | 33.7 | Very low | 52 Ų | 52 | 132.5 Ų | 132.5 | 54% | 0.536 | 78% | 0.781 | S | S | . | * | trans | -163.4 | 129.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | R324 | G270-R324 PolarHBondContact O-NH1 3.15Š| ||
| 271 | M | 32.7 | Very low | 33.7 | Very low | 196 Ų | 196 | 134 Ų | 134 | 97% | 0.966 | 78% | 0.784 | S | S | * | * | trans | -105.4 | 163.8 | -170.3 | -84.7 | -73.6 | -159.5 | 0 | 0 | 113.4 | ||||
| 272 | G | 33.4 | Very low | 33.6 | Very low | 81 Ų | 81 | 136.5 Ų | 136.5 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | trans | 106.2 | 149 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 273 | G | 31.1 | Very low | 33.5 | Very low | 81 Ų | 81 | 138.5 Ų | 138.5 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | cis | 157.3 | 110 | -10.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 274 | G | 32.6 | Very low | 33.7 | Very low | 73 Ų | 73 | 137.9 Ų | 137.9 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | 77.8 | 173 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 275 | N | 33.5 | Very low | 33.4 | Very low | 149 Ų | 149 | 134.9 Ų | 134.9 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | cis | -168.7 | 178.7 | -24.5 | -125.2 | 16.6 | 0 | 0 | 0 | 108.9 | ||||
| 276 | N | 36.6 | Very low | 33.2 | Very low | 163 Ų | 163 | 139.2 Ų | 139.2 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | trans | 76.3 | 146.7 | 177 | -40.6 | -31.6 | 0 | 0 | 0 | 114.2 | ||||
| 277 | G | 35.7 | Very low | 33.2 | Very low | 72 Ų | 72 | 142.4 Ų | 142.4 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | cis | -159.7 | 172 | -2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 278 | P | 42.5 | Very low | 33.4 | Very low | 111 Ų | 111 | 142.4 Ų | 142.4 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | trans | -116.9 | 169.1 | -149.1 | 41.4 | -33.9 | 0 | 0 | 0 | 116.4 | ||||
| 279 | F | 37.5 | Very low | 33.4 | Very low | 204 Ų | 204 | 138.4 Ų | 138.4 | 90% | 0.895 | 78% | 0.777 | S | S | * | * | trans | -155.8 | 113.7 | 142.3 | -110.5 | -71.2 | 0 | 0 | 0 | 110.9 | ||||
| 280 | D | 33.5 | Very low | 33.5 | Very low | 131 Ų | 131 | 138.2 Ų | 138.2 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | trans | -94.5 | 156.8 | 173.6 | -83.7 | -59.4 | 0 | 0 | 0 | 111.7 | ||||
| 281 | Y | 30.6 | Very low | 33.2 | Very low | 206 Ų | 206 | 142.9 Ų | 142.9 | 81% | 0.808 | 79% | 0.794 | S | S | * | * | trans | -157.1 | 142.5 | 139 | -104.3 | -70.7 | 0 | 0 | 0 | 111 | ||||
| 282 | W | 31.6 | Very low | 33.2 | Very low | 222 Ų | 222 | 145 Ų | 145 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | trans | 80 | 79.5 | 177.5 | -51.6 | 107.1 | 0 | 0 | 0 | 118.1 | ||||
| 283 | T | 31.5 | Very low | 33.1 | Very low | 130 Ų | 130 | 150 Ų | 150 | 80% | 0.798 | 79% | 0.792 | S | S | * | * | trans | -131.2 | 137.1 | 155.3 | 50.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 284 | I | 32.3 | Very low | 33.1 | Very low | 151 Ų | 151 | 154.5 Ų | 154.5 | 77% | 0.774 | 80% | 0.795 | S | S | * | * | trans | -151.5 | 152.3 | 170.6 | -15.6 | 177.3 | 0 | 0 | 0 | 107.7 | ||||
| 285 | P | 29.8 | Very low | 32.9 | Very low | 111 Ų | 111 | 162.2 Ų | 162.2 | 72% | 0.721 | 80% | 0.801 | S | S | * | * | -117.1 | 161.1 | -70.9 | 36.7 | -27.2 | 0 | 0 | 0 | 112.6 | |||||
| 286 | R | 28.3 | Very low | 32.6 | Very low | 250 Ų | 250 | 160.4 Ų | 160.4 | 94% | 0.943 | 80% | 0.8 | S | S | * | * | trans | -105.8 | 106.4 | 162.9 | -74.6 | -172.7 | 177 | -139.4 | -0 | 110.1 | ||||
| 287 | N | 33.5 | Very low | 32.3 | Very low | 144 Ų | 144 | 157 Ų | 157 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | trans | -117.4 | 114.9 | 163.7 | -98.5 | 7.9 | 0 | 0 | 0 | 106.4 | ||||
| 288 | S | 33.3 | Very low | 32.1 | Very low | 98 Ų | 98 | 161.8 Ų | 161.8 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | 94.8 | 121.5 | 69.4 | 68.9 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 289 | Q | 34.2 | Very low | 31.6 | Very low | 156 Ų | 156 | 163.1 Ų | 163.1 | 73% | 0.729 | 79% | 0.793 | S | S | * | * | trans | -64.6 | 164.1 | -177.8 | -66.2 | -137.5 | -28.6 | 0 | 0 | 113 | ||||
| 290 | P | 33.9 | Very low | 31.4 | Very low | 122 Ų | 122 | 159.2 Ų | 159.2 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | -126.8 | 157.4 | 105.1 | 36.9 | -33.1 | 0 | 0 | 0 | 114.3 | |||||
| 291 | H | 28.7 | Very low | 31.3 | Very low | 150 Ų | 150 | 159.1 Ų | 159.1 | 69% | 0.694 | 77% | 0.771 | S | S | * | * | trans | -69.6 | 157.6 | 169.3 | -52.7 | -80.2 | 0 | 0 | 0 | 111.6 | ||||
| 292 | Y | 33.8 | Very low | 31.3 | Very low | 239 Ų | 239 | 159.7 Ų | 159.7 | 94% | 0.937 | 78% | 0.778 | S | S | * | * | -151.6 | 163 | 116.7 | -100.2 | -67.6 | 0 | 0 | 0 | 110.6 | |||||
| 293 | K | 29.8 | Very low | 31.2 | Very low | 188 Ų | 188 | 159.4 Ų | 159.4 | 82% | 0.817 | 78% | 0.778 | S | S | * | * | trans | -108.4 | 148.8 | -179.1 | -56.8 | 170.2 | -177.6 | 171.9 | 0 | 109.5 | ||||
| 294 | I | 32.8 | Very low | 31.3 | Very low | 175 Ų | 175 | 161.5 Ų | 161.5 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | -173.4 | 166.5 | 128.4 | -96.1 | 153.5 | 0 | 0 | 0 | 108.7 | |||||
| 295 | R | 26.9 | Very low | 31.2 | Very low | 234 Ų | 234 | 159.8 Ų | 159.8 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | trans | -98.2 | 141.9 | -168.5 | -51.8 | 168.2 | 176.5 | 179.6 | -3.3 | 112 | ||||
| 296 | S | 28.5 | Very low | 31.1 | Very low | 111 Ų | 111 | 157.6 Ų | 157.6 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | 175.1 | 145.3 | 119.6 | 42 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 297 | S | 29.3 | Very low | 31.4 | Very low | 93 Ų | 93 | 152.6 Ų | 152.6 | 65% | 0.65 | 77% | 0.77 | S | S | * | * | trans | 15.5 | 127.7 | 155.7 | 50.4 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 298 | E | 31.5 | Very low | 31.2 | Very low | 172 Ų | 172 | 154 Ų | 154 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | 76.4 | 155.3 | 133.9 | -67.2 | 167 | -174.1 | 0 | 0 | 121.1 | ||||
| 299 | N | 33.2 | Very low | 31.2 | Very low | 139 Ų | 139 | 157.4 Ų | 157.4 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | trans | 63.9 | 148.2 | 177.8 | -64.3 | -46.4 | 0 | 0 | 0 | 117 | ||||
| 300 | K | 31.9 | Very low | 31.1 | Very low | 122 Ų | 122 | 157.9 Ų | 157.9 | 53% | 0.53 | 79% | 0.786 | S | S | . | * | cis | -160.9 | 166 | -33.8 | -129.2 | 176.5 | 178 | -170.5 | 0 | 107.6 | ||||
| 301 | E | 32.3 | Very low | 30.8 | Very low | 129 Ų | 129 | 158.2 Ų | 158.2 | 60% | 0.603 | 78% | 0.781 | S | S | * | * | trans | 31 | 126.4 | 155.7 | -69.9 | 151 | -136 | 0 | 0 | 121 | ||||
| 302 | F | 29.7 | Very low | 30.8 | Very low | 217 Ų | 217 | 158.4 Ų | 158.4 | 95% | 0.952 | 78% | 0.782 | S | S | * | * | -157 | 119.3 | 119 | -100.6 | -65.2 | 0 | 0 | 0 | 109.6 | |||||
| 303 | Y | 29.5 | Very low | 30.8 | Very low | 216 Ų | 216 | 155.3 Ų | 155.3 | 85% | 0.847 | 77% | 0.774 | S | S | * | * | trans | -124.1 | 135.6 | 179.1 | -144.2 | -90.6 | 0 | 0 | 0 | 108.9 | ||||
| 304 | M | 33.7 | Very low | 30.8 | Very low | 175 Ų | 175 | 151.1 Ų | 151.1 | 86% | 0.862 | 77% | 0.768 | S | S | * | * | trans | -110.1 | 127.2 | 169.4 | -75 | -143.1 | 75.1 | 0 | 0 | 109.9 | ||||
| 305 | P | 30.6 | Very low | 30.7 | Very low | 114 Ų | 114 | 150.9 Ų | 150.9 | 74% | 0.74 | 77% | 0.768 | S | S | * | * | trans | -83.8 | 156.3 | -177.6 | 33.6 | -35.3 | 0 | 0 | 0 | 112.7 | ||||
| 306 | G | 28.1 | Very low | 31 | Very low | 66 Ų | 66 | 145.2 Ų | 145.2 | 68% | 0.68 | 76% | 0.761 | S | S | * | * | trans | 95.5 | 90.8 | 160.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 307 | N | 33.6 | Very low | 31 | Very low | 145 Ų | 145 | 152 Ų | 152 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | -177.5 | 120.8 | 121.4 | -97.3 | -53.9 | 0 | 0 | 0 | 111.8 | F309 | N307-F309 VanDerWaalsContact C-N 3.35Å; N307-F309 HydrophobicContact CB-CD2 4.24Å; N307-F309 HydrophobicContact CB-CE2 4.44Å; N307-F309 PolarHBondContact O-N 2.86Å | |||
| 308 | L | 30.8 | Very low | 31.2 | Very low | 173 Ų | 173 | 152.9 Ų | 152.9 | 91% | 0.906 | 78% | 0.776 | S | S | * | * | trans | -78.4 | 79.2 | 172.6 | -82.6 | 163.4 | 0 | 0 | 0 | 110.9 | ||||
| 309 | F | 33 | Very low | 31.2 | Very low | 169 Ų | 169 | 156.1 Ų | 156.1 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | trans | -78.8 | 129.4 | 159.1 | -86.2 | -80.4 | 0 | 0 | 0 | 109.8 | N307 N311 | N307-F309 VanDerWaalsContact C-N 3.35Å; N307-F309 HydrophobicContact CB-CD2 4.24Å; N307-F309 HydrophobicContact CB-CE2 4.44Å; N307-F309 PolarHBondContact O-N 2.86Å; F309-N311 PolarHBondContact O-N 2.98Å | ||
| 310 | L | 31.2 | Very low | 31.2 | Very low | 167 Ų | 167 | 161.2 Ų | 161.2 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | -57.4 | 115.8 | 168.5 | -78.3 | 89.3 | 0 | 0 | 0 | 108.8 | E312 | L310-E312 PolarHBondContact O-N 2.78Š| ||
| 311 | N | 28.8 | Very low | 31.3 | Very low | 128 Ų | 128 | 162.9 Ų | 162.9 | 68% | 0.684 | 80% | 0.797 | S | S | * | * | trans | -77 | 109.6 | 177.8 | -170.4 | -8.5 | 0 | 0 | 0 | 108.9 | F309 K313 | F309-N311 PolarHBondContact O-N 2.98Å; N311-K313 HydrophobicContact CB-CG 4.42Å; N311-K313 PolarHBondContact O-N 3.34Å | ||
| 312 | E | 28.7 | Very low | 31.2 | Very low | 154 Ų | 154 | 159.8 Ų | 159.8 | 72% | 0.72 | 80% | 0.799 | S | S | * | * | trans | -60.8 | 82.5 | 162.6 | -75.2 | -176.3 | 141.2 | 0 | 0 | 107.9 | L310 S314 R434 | L310-E312 PolarHBondContact O-N 2.78Å; E312-S314 PolarHBondContact O-N 2.86Å; E312-R434 IonicContact OE1-NH1 2.68Å; E312-R434 PolarHBondContact OE1-NH1 3.33Å; E312-R434 IonicContact OE2-NH1 2.66Å | ||
| 313 | K | 32.7 | Very low | 31.4 | Very low | 175 Ų | 175 | 155.5 Ų | 155.5 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | trans | -67.2 | 79.4 | -178.7 | -84.4 | -170.4 | 176.2 | 179.8 | 0 | 111.5 | N311 | N311-K313 HydrophobicContact CB-CG 4.42Å; N311-K313 PolarHBondContact O-N 3.34Å | ||
| 314 | S | 29.8 | Very low | 31.6 | Very low | 100 Ų | 100 | 154.3 Ų | 154.3 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | trans | 41.2 | 87.9 | 138.5 | 61.1 | 0 | 0 | 0 | 0 | 116.2 | E312 | E312-S314 PolarHBondContact O-N 2.86Š| ||
| 315 | L | 31.2 | Very low | 31.4 | Very low | 170 Ų | 170 | 152.3 Ų | 152.3 | 89% | 0.89 | 77% | 0.769 | S | S | * | * | trans | -50.8 | 128.3 | 156.7 | -78.5 | 167.7 | 0 | 0 | 0 | 109.3 | R317 | L315-R317 PolarHBondContact O-N 3.36Å; L315-R317 VanDerWaalsContact O-N 3.09Å | ||
| 316 | P | 32.2 | Very low | 31.6 | Very low | 114 Ų | 114 | 154.3 Ų | 154.3 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | trans | -68.5 | 113 | -174.9 | 26.1 | -33.5 | 0 | 0 | 0 | 110.3 | S318 | P316-S318 PolarHBondContact O-N 2.79Š| ||
| 317 | R | 28.8 | Very low | 31.8 | Very low | 253 Ų | 253 | 160.4 Ų | 160.4 | 96% | 0.955 | 78% | 0.781 | S | S | * | * | trans | -74 | 63.5 | 179 | -163.6 | -176.2 | -171.7 | -167 | 5.4 | 111.5 | L315 | L315-R317 PolarHBondContact O-N 3.36Å; L315-R317 VanDerWaalsContact O-N 3.09Å | ||
| 318 | S | 33.8 | Very low | 31.8 | Very low | 112 Ų | 112 | 162.3 Ų | 162.3 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 160.3 | -178.3 | -162.7 | 0 | 0 | 0 | 0 | 112.4 | P316 | P316-S318 PolarHBondContact O-N 2.79Š|
| 319 | R | 32.7 | Very low | 31.9 | Very low | 241 Ų | 241 | 162.2 Ų | 162.2 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -80 | 138.7 | -159.3 | -67.4 | 171.6 | 172.1 | 168.2 | -4.1 | 113.2 | ||
| 320 | R | 32.1 | Very low | 31.8 | Very low | 246 Ų | 246 | 158.8 Ų | 158.8 | 93% | 0.928 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 136 | 169.5 | -62.1 | 167.7 | 166.3 | 175 | -6.8 | 112.9 | ||
| 321 | K | 34.2 | Very low | 31.9 | Very low | 156 Ų | 156 | 158.3 Ų | 158.3 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | -167.9 | 124.6 | 128.2 | -129.1 | -165.6 | 179 | -139.3 | 0 | 113.9 | E269 | E269-K321 VanDerWaalsContact OE1-CE 3.3Å; E269-K321 WeakPolarHBondContact OE1-CE 3.27Å; E269-K321 IonicContact OE1-NZ 3.18Å; E269-K321 PolarHBondContact OE1-NZ 3.48Å; E269-K321 IonicContact OE2-NZ 3.32Å; E269-K321 PolarHBondContact OE2-NZ 3.45Å | |||
| 322 | G | 30.1 | Very low | 32.1 | Very low | 64 Ų | 64 | 156.8 Ų | 156.8 | 66% | 0.66 | 77% | 0.773 | S | S | * | * | trans | 70.3 | 151.6 | 174 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 323 | H | 35.1 | Very low | 32.4 | Very low | 128 Ų | 128 | 157 Ų | 157 | 59% | 0.593 | 78% | 0.777 | S | S | * | * | cis | -145.6 | 130 | -6.7 | -96.6 | -96.9 | 0 | 0 | 0 | 105.5 | ||||
| 324 | R | 31.8 | Very low | 32.6 | Very low | 190 Ų | 190 | 155.8 Ų | 155.8 | 72% | 0.717 | 78% | 0.778 | S | S | * | * | 40.3 | 109.4 | 74.2 | -80.8 | -164.4 | 176.4 | 160.9 | -0.4 | 113.7 | G270 | G270-R324 PolarHBondContact O-NH1 3.15Š| |||
| 325 | N | 30.7 | Very low | 32.6 | Very low | 134 Ų | 134 | 158.2 Ų | 158.2 | 72% | 0.717 | 78% | 0.784 | S | S | * | * | cis | -155.1 | 143.4 | 5.2 | -31.7 | -93.1 | 0 | 0 | 0 | 111.8 | ||||
| 326 | V | 34.3 | Very low | 32.7 | Very low | 155 Ų | 155 | 153.8 Ų | 153.8 | 94% | 0.939 | 78% | 0.779 | S | S | * | * | trans | -129.3 | 140.5 | 131.6 | 178.2 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 327 | R | 33.2 | Very low | 32.7 | Very low | 194 Ų | 194 | 153.9 Ų | 153.9 | 73% | 0.732 | 78% | 0.782 | S | S | * | * | trans | -114.1 | 111.5 | -167.6 | 172.1 | 175.9 | 175.5 | 179.7 | 1.8 | 110.6 | K329 | R327-K329 PolarHBondContact O-N 2.89Š| ||
| 328 | E | 33.6 | Very low | 33.1 | Very low | 186 Ų | 186 | 146.1 Ų | 146.1 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | trans | -54 | 133.6 | 155.5 | -68.9 | 177.8 | 112.4 | 0 | 0 | 109.1 | ||||
| 329 | K | 32.9 | Very low | 33.2 | Very low | 171 Ų | 171 | 147.8 Ų | 147.8 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | trans | -140 | 50.5 | -175.9 | -156.6 | -172.1 | 176.5 | -164.9 | 0 | 111.2 | R327 | R327-K329 PolarHBondContact O-N 2.89Š| ||
| 330 | S | 31.3 | Very low | 33.4 | Very low | 97 Ų | 97 | 143 Ų | 143 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | trans | -57.5 | 142.4 | 157.1 | 32.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 331 | E | 31.9 | Very low | 33.5 | Very low | 157 Ų | 157 | 134.5 Ų | 134.5 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | trans | 49 | 97.6 | 152.2 | -63 | 176 | -157.3 | 0 | 0 | 119.1 | ||||
| 332 | A | 32.9 | Very low | 33.8 | Very low | 95 Ų | 95 | 135.9 Ų | 135.9 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | -164.4 | 162.5 | 138 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 333 | I | 35.7 | Very low | 34.3 | Very low | 159 Ų | 159 | 140.3 Ų | 140.3 | 82% | 0.815 | 76% | 0.763 | S | S | * | * | trans | 76.1 | 79.5 | 168.2 | -44.3 | -177.2 | 0 | 0 | 0 | 115.4 | ||||
| 334 | L | 35.6 | Very low | 34.6 | Very low | 149 Ų | 149 | 138.5 Ų | 138.5 | 78% | 0.78 | 76% | 0.764 | S | S | * | * | trans | -52.7 | 152.7 | 144.5 | -80 | 155.6 | 0 | 0 | 0 | 112.1 | ||||
| 335 | N | 31.2 | Very low | 34.9 | Very low | 152 Ų | 152 | 135.6 Ų | 135.6 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | trans | 67.1 | 147.6 | 160 | -52.8 | -27 | 0 | 0 | 0 | 117.5 | ||||
| 336 | G | 32.8 | Very low | 35.3 | Very low | 76 Ų | 76 | 137.9 Ų | 137.9 | 78% | 0.784 | 76% | 0.762 | S | S | * | * | trans | 138.3 | 51.4 | 162.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 337 | S | 32.6 | Very low | 35.4 | Very low | 116 Ų | 116 | 139.5 Ų | 139.5 | 81% | 0.811 | 75% | 0.751 | S | S | * | * | trans | 18.2 | 147.5 | 148.5 | -155 | 0 | 0 | 0 | 0 | 123 | ||||
| 338 | S | 36.1 | Very low | 35.5 | Very low | 91 Ų | 91 | 140.4 Ų | 140.4 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | trans | 85.6 | 104.4 | 144.3 | 70.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 339 | N | 36.1 | Very low | 35.7 | Very low | 146 Ų | 146 | 136.5 Ų | 136.5 | 78% | 0.781 | 75% | 0.747 | S | S | * | * | 92 | 136.5 | 116.8 | -72.2 | -11.6 | 0 | 0 | 0 | 123.5 | |||||
| 340 | T | 36.8 | Very low | 36.1 | Very low | 141 Ų | 141 | 133.6 Ų | 133.6 | 87% | 0.865 | 75% | 0.749 | S | S | * | * | trans | 65.2 | 122.6 | 159.3 | 53.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 341 | G | 34 | Very low | 36.4 | Very low | 67 Ų | 67 | 138.1 Ų | 138.1 | 69% | 0.691 | 76% | 0.756 | S | S | * | * | cis | 149 | 166.2 | -24 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 342 | K | 40.7 | Very low | 37.1 | Very low | 186 Ų | 186 | 135.7 Ų | 135.7 | 81% | 0.809 | 75% | 0.754 | S | S | * | * | trans | 69.7 | 153.2 | 175 | -38.3 | 179 | -173 | 172.1 | 0 | 113.9 | ||||
| 343 | H | 41.3 | Very low | 37.3 | Very low | 157 Ų | 157 | 136 Ų | 136 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | cis | -140 | 147.7 | 14.2 | -104.2 | -74.5 | 0 | 0 | 0 | 112.5 | ||||
| 344 | S | 40.5 | Very low | 37.5 | Very low | 89 Ų | 89 | 133.9 Ų | 133.9 | 62% | 0.622 | 74% | 0.741 | S | S | * | * | trans | 38 | 144.8 | 136.6 | -76.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 345 | N | 40 | Very low | 37.8 | Very low | 130 Ų | 130 | 135.1 Ų | 135.1 | 70% | 0.695 | 74% | 0.74 | S | S | * | * | cis | -169.4 | 169.9 | 13.1 | -99.3 | -18.6 | 0 | 0 | 0 | 106.9 | ||||
| 346 | R | 37.3 | Very low | 38.3 | Very low | 182 Ų | 182 | 133.7 Ų | 133.7 | 69% | 0.687 | 74% | 0.737 | S | S | * | * | cis | -167.3 | 141.6 | 2.7 | -121.7 | 173.4 | 179.9 | -174 | 1.8 | 108.6 | ||||
| 347 | R | 36.1 | Very low | 38.6 | Very low | 189 Ų | 189 | 136.1 Ų | 136.1 | 71% | 0.713 | 73% | 0.732 | S | S | * | * | trans | 58.9 | 153.9 | 141 | -69.6 | 175.3 | 177.9 | -167.8 | -2.4 | 120.6 | ||||
| 348 | R | 36.9 | Very low | 38.9 | Very low | 212 Ų | 212 | 135.4 Ų | 135.4 | 80% | 0.8 | 73% | 0.727 | S | S | * | * | cis | -169.4 | 161.6 | -24.4 | -116.8 | -178.3 | -174 | -168.6 | -1.5 | 109.7 | ||||
| 349 | S | 36.2 | Very low | 39.1 | Very low | 104 Ų | 104 | 137.3 Ų | 137.3 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | trans | -3.5 | 149.6 | 155.1 | 56.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 350 | S | 41.3 | Very low | 39.1 | Very low | 110 Ų | 110 | 134.6 Ų | 134.6 | 77% | 0.769 | 73% | 0.727 | S | S | * | * | cis | -156.9 | 159.1 | 34.1 | 42.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 351 | K | 39 | Very low | 38.9 | Very low | 192 Ų | 192 | 135.4 Ų | 135.4 | 84% | 0.835 | 73% | 0.725 | S | S | * | * | cis | 75.4 | 145 | 46.4 | -117.1 | -158.2 | 175.3 | -170.1 | 0 | 114.5 | ||||
| 352 | P | 45.8 | Very low | 39.1 | Very low | 107 Ų | 107 | 137 Ų | 137 | 70% | 0.695 | 72% | 0.721 | S | S | * | * | -141.7 | -159.2 | -55.6 | 41.5 | -22.6 | 0 | 0 | 0 | 114.7 | |||||
| 353 | S | 38.1 | Very low | 39 | Very low | 102 Ų | 102 | 135.9 Ų | 135.9 | 71% | 0.713 | 72% | 0.719 | S | S | * | * | trans | 84.2 | 152 | 168.4 | 89.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 354 | D | 40.3 | Very low | 38.6 | Very low | 114 Ų | 114 | 137.4 Ų | 137.4 | 61% | 0.61 | 73% | 0.727 | S | S | * | * | cis | -134.9 | 161.2 | 16.2 | -96.9 | -78.3 | 0 | 0 | 0 | 115.9 | ||||
| 355 | K | 41.8 | Very low | 38.4 | Very low | 174 Ų | 174 | 140.7 Ų | 140.7 | 76% | 0.757 | 73% | 0.73 | S | S | * | * | trans | 14.7 | 153.9 | 142.3 | -62.2 | 166.2 | -168.2 | 154.8 | 0 | 120.4 | ||||
| 356 | V | 41.3 | Very low | 38.1 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 75% | 0.745 | 73% | 0.734 | S | S | * | * | -149 | 134.3 | 50.2 | 171.2 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 357 | D | 39.1 | Very low | 38.1 | Very low | 126 Ų | 126 | 137.1 Ų | 137.1 | 67% | 0.674 | 73% | 0.733 | S | S | * | * | trans | 24.1 | 120.9 | 145.4 | -53.5 | -38.9 | 0 | 0 | 0 | 121 | ||||
| 358 | S | 37.8 | Very low | 38.4 | Very low | 101 Ų | 101 | 134.5 Ų | 134.5 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | 88.7 | 143.9 | 83.5 | -63.6 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 359 | T | 39.7 | Very low | 38.5 | Very low | 131 Ų | 131 | 130.4 Ų | 130.4 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | cis | -164.5 | 173.7 | 3.9 | 7.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 360 | S | 36.5 | Very low | 38.4 | Very low | 89 Ų | 89 | 131.9 Ų | 131.9 | 62% | 0.622 | 74% | 0.738 | S | S | * | * | cis | -167.5 | 140.1 | 0.3 | 38.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 361 | L | 33.9 | Very low | 38.2 | Very low | 158 Ų | 158 | 129.7 Ų | 129.7 | 83% | 0.827 | 73% | 0.727 | S | S | * | * | trans | 65.8 | 153.9 | 148.9 | -85.3 | 56.8 | 0 | 0 | 0 | 118.6 | ||||
| 362 | T | 37.6 | Very low | 38.5 | Very low | 100 Ų | 100 | 124.5 Ų | 124.5 | 61% | 0.613 | 71% | 0.712 | S | S | * | * | cis | -142.5 | 143.2 | 13.3 | -11.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 363 | Q | 39.3 | Very low | 38 | Very low | 164 Ų | 164 | 123.5 Ų | 123.5 | 77% | 0.766 | 70% | 0.701 | S | S | * | * | trans | 50 | 110.9 | 149.8 | -69.7 | 155.8 | 12 | 0 | 0 | 118.7 | ||||
| 364 | Q | 32.3 | Very low | 38 | Very low | 188 Ų | 188 | 123.1 Ų | 123.1 | 88% | 0.879 | 70% | 0.698 | S | S | * | * | 57.2 | 133.7 | 78 | -65.6 | -173.3 | -14.7 | 0 | 0 | 113.6 | |||||
| 365 | K | 35.6 | Very low | 38 | Very low | 158 Ų | 158 | 125.5 Ų | 125.5 | 69% | 0.687 | 71% | 0.705 | S | S | * | * | cis | -150.6 | 141.5 | 40.4 | -171.5 | 179.5 | 178.9 | -127.5 | 0 | 113.4 | D367 | K365-D367 WeakPolarHBondContact CD-OD2 3.39Å; K365-D367 WeakPolarHBondContact CE-OD1 3.43Å; K365-D367 WeakPolarHBondContact CE-OD2 3.26Å; K365-D367 IonicContact NZ-OD1 2.6Å; K365-D367 PolarHBondContact NZ-OD1 2.83Å; K365-D367 IonicContact NZ-OD2 2.63Å; K365-D367 PolarHBondContact NZ-OD2 2.84Å | ||
| 366 | S | 33.4 | Very low | 37.9 | Very low | 113 Ų | 113 | 123.7 Ų | 123.7 | 79% | 0.79 | 70% | 0.698 | S | S | * | * | trans | -89.6 | 134.3 | 165.1 | 47.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 367 | D | 38.7 | Very low | 37.6 | Very low | 125 Ų | 125 | 128.7 Ų | 128.7 | 67% | 0.668 | 70% | 0.703 | S | S | * | * | trans | -135.8 | 136 | 167.8 | -77.6 | -59.6 | 0 | 0 | 0 | 110.1 | K365 | K365-D367 WeakPolarHBondContact CD-OD2 3.39Å; K365-D367 WeakPolarHBondContact CE-OD1 3.43Å; K365-D367 WeakPolarHBondContact CE-OD2 3.26Å; K365-D367 IonicContact NZ-OD1 2.6Å; K365-D367 PolarHBondContact NZ-OD1 2.83Å; K365-D367 IonicContact NZ-OD2 2.63Å; K365-D367 PolarHBondContact NZ-OD2 2.84Å | ||
| 368 | V | 42.5 | Very low | 37.5 | Very low | 134 Ų | 134 | 133.4 Ų | 133.4 | 81% | 0.812 | 71% | 0.711 | S | S | * | * | trans | -84.3 | 144.3 | -176.6 | 171.9 | 0 | 0 | 0 | 0 | 109.4 | N370 | V368-N370 PolarHBondContact O-N 3.24Š| ||
| 369 | P | 37.9 | Very low | 37.3 | Very low | 126 Ų | 126 | 132.7 Ų | 132.7 | 82% | 0.818 | 71% | 0.707 | S | S | * | * | trans | -61.3 | 126 | -170.5 | 23 | -35.7 | 0 | 0 | 0 | 113.2 | ||||
| 370 | N | 34.8 | Very low | 37.3 | Very low | 134 Ų | 134 | 132.7 Ų | 132.7 | 72% | 0.717 | 70% | 0.698 | S | S | * | * | trans | -102.4 | 111.2 | -179.9 | -155.1 | 2.6 | 0 | 0 | 0 | 109.4 | V368 T372 | V368-N370 PolarHBondContact O-N 3.24Å; N370-T372 PolarHBondContact O-N 2.73Å | ||
| 371 | A | 37.2 | Very low | 37.7 | Very low | 65 Ų | 65 | 133.7 Ų | 133.7 | 54% | 0.537 | 70% | 0.695 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.5 | 11.4 | -158.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 372 | T | 44.6 | Very low | 38.5 | Very low | 83 Ų | 83 | 131 Ų | 131 | 51% | 0.509 | 68% | 0.677 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -110.7 | 4.1 | -163.8 | 62 | 0 | 0 | 0 | 0 | 115.9 | N370 | N370-T372 PolarHBondContact O-N 2.73Š|
| 373 | D | 36.5 | Very low | 39.3 | Very low | 86 Ų | 86 | 128.1 Ų | 128.1 | 46% | 0.46 | 66% | 0.659 | S | S | . | * | S | Bend | trans | -99.6 | -5.9 | -169.4 | -127.8 | 42.3 | 0 | 0 | 0 | 114.7 | K376 | D373-K376 IonicContact OD1-NZ 2.61Å; D373-K376 PolarHBondContact OD1-NZ 2.81Å |
| 374 | S | 37.5 | Very low | 39.9 | Very low | 94 Ų | 94 | 126.5 Ų | 126.5 | 66% | 0.657 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -35.6 | 174.6 | 52.4 | 0 | 0 | 0 | 0 | 112.9 | ||
| 375 | E | 39.9 | Very low | 41.3 | Very low | 163 Ų | 163 | 121.6 Ų | 121.6 | 76% | 0.762 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -77.7 | -27.3 | -179.1 | -64.3 | -165.3 | 117.9 | 0 | 0 | 113.4 | R377 R378 | E375-R377 VanDerWaalsContact C-N 3.28Å; E375-R377 PolarHBondContact O-N 3.33Å; E375-R378 PolarHBondContact O-N 3.26Å |
| 376 | K | 39.3 | Very low | 42.2 | Very low | 137 Ų | 137 | 125 Ų | 125 | 60% | 0.596 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -69.2 | -20.1 | 178.3 | -69.2 | -168.9 | -160 | 133.2 | 0 | 114.3 | D373 R378 S379 | D373-K376 IonicContact OD1-NZ 2.61Å; D373-K376 PolarHBondContact OD1-NZ 2.81Å; K376-R378 VanDerWaalsContact C-N 3.28Å; K376-R378 PolarHBondContact O-N 2.9Å; K376-S379 PolarHBondContact O-OG 2.78Å |
| 377 | R | 36.5 | Very low | 43.2 | Very low | 228 Ų | 228 | 124.1 Ų | 124.1 | 86% | 0.86 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -82 | -0 | 178.4 | -67.5 | -165.2 | 176.8 | -131.4 | -0.5 | 114.3 | E375 | E375-R377 VanDerWaalsContact C-N 3.28Å; E375-R377 PolarHBondContact O-N 3.33Å |
| 378 | R | 35.3 | Very low | 43.7 | Very low | 224 Ų | 224 | 122 Ų | 122 | 85% | 0.845 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -92.6 | -5.9 | 176.4 | -86.8 | -177 | 162.5 | 175.1 | -4.1 | 115.2 | E375 K376 | E375-R378 PolarHBondContact O-N 3.26Å; K376-R378 VanDerWaalsContact C-N 3.28Å; K376-R378 PolarHBondContact O-N 2.9Å |
| 379 | S | 34.8 | Very low | 43.9 | Very low | 87 Ų | 87 | 128.3 Ų | 128.3 | 61% | 0.608 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -100.3 | 126.6 | -174.5 | 56.7 | 0 | 0 | 0 | 0 | 114.2 | K376 | K376-S379 PolarHBondContact O-OG 2.78Š|
| 380 | E | 39 | Very low | 44.5 | Very low | 131 Ų | 131 | 125.3 Ų | 125.3 | 61% | 0.612 | 61% | 0.61 | S | S | * | * | trans | 70.4 | 64.7 | 153.4 | -51 | -161.5 | 155.2 | 0 | 0 | 120.9 | K382 | E380-K382 HydrophobicContact CB-CD 4.1Å; E380-K382 HydrophobicContact CB-CG 4.16Å; E380-K382 HydrophobicContact CG-CD 4.32Å; E380-K382 PolarHBondContact O-N 2.79Å; E380-K382 WeakPolarHBondContact OE1-CE 3.25Å; E380-K382 IonicContact OE1-NZ 2.57Å; E380-K382 PolarHBondContact OE1-NZ 3.26Å; E380-K382 WeakPolarHBondContact OE2-CD 3.24Å; E380-K382 WeakPolarHBondContact OE2-CE 3.38Å; E380-K382 IonicContact OE2-NZ 3.31Å; E380-K382 PolarHBondContact OE2-NZ 2.93Å | ||
| 381 | L | 44.6 | Very low | 45.1 | Very low | 110 Ų | 110 | 123.7 Ų | 123.7 | 58% | 0.576 | 61% | 0.605 | S | S | * | * | trans | -75.9 | 71.3 | 152.8 | -117.8 | 77.4 | 0 | 0 | 0 | 111.4 | V383 I418 | L381-V383 VanDerWaalsContact C-N 3.33Å; L381-V383 PolarHBondContact O-N 2.9Å; L381-I418 HydrophobicContact CD2-CG2 3.7Å | ||
| 382 | K | 50.6 | Low | 45.4 | Very low | 101 Ų | 101 | 124.8 Ų | 124.8 | 44% | 0.439 | 60% | 0.601 | S | S | . | * | trans | -75.8 | 74.1 | -178.2 | -87.6 | 172.3 | 173.5 | 168.5 | 0 | 112.6 | E380 Y384 | E380-K382 HydrophobicContact CB-CD 4.1Å; E380-K382 HydrophobicContact CB-CG 4.16Å; E380-K382 HydrophobicContact CG-CD 4.32Å; E380-K382 PolarHBondContact O-N 2.79Å; E380-K382 WeakPolarHBondContact OE1-CE 3.25Å; E380-K382 IonicContact OE1-NZ 2.57Å; E380-K382 PolarHBondContact OE1-NZ 3.26Å; E380-K382 WeakPolarHBondContact OE2-CD 3.24Å; E380-K382 WeakPolarHBondContact OE2-CE 3.38Å; E380-K382 IonicContact OE2-NZ 3.31Å; E380-K382 PolarHBondContact OE2-NZ 2.93Å; K382-Y384 HydrophobicContact CB-CD2 3.99Å; K382-Y384 HydrophobicContact CB-CE2 3.6Å; K382-Y384 HydrophobicContact CD-CE2 3.77Å; K382-Y384 WeakPolarHBondContact CE-OH 3.47Å; K382-Y384 HydrophobicContact CG-CE2 3.82Å; K382-Y384 PolarHBondContact O-N 3.13Å; K382-Y384 VanDerWaalsContact O-N 3.09Å | ||
| 383 | V | 54.6 | Low | 45.4 | Very low | 39 Ų | 39 | 126.5 Ų | 126.5 | 24% | 0.236 | 62% | 0.617 | C | S | . | * | trans | -62.7 | 110.2 | 164.6 | 179.8 | 0 | 0 | 0 | 0 | 108.7 | L381 F385 C414 R415 I418 | L381-V383 VanDerWaalsContact C-N 3.33Å; L381-V383 PolarHBondContact O-N 2.9Å; V383-F385 HydrophobicContact CG1-CZ 4.4Å; V383-C414 HydrophobicContact CG1-CB 4.48Å; V383-R415 HydrophobicContact CB-CG 4.15Å; V383-R415 VanDerWaalsContact O-CZ 3.31Å; V383-R415 PolarHBondContact O-NE 3.17Å; V383-R415 PolarHBondContact O-NH2 2.93Å; V383-I418 HydrophobicContact CG2-CD1 3.61Å | ||
| 384 | Y | 52.7 | Low | 46 | Very low | 131 Ų | 131 | 126 Ų | 126 | 51% | 0.514 | 61% | 0.614 | S | S | . | * | trans | -124 | 125.4 | 170.6 | -65 | -69 | 0 | 0 | 0 | 109.5 | K382 R386 R415 | K382-Y384 HydrophobicContact CB-CD2 3.99Å; K382-Y384 HydrophobicContact CB-CE2 3.6Å; K382-Y384 HydrophobicContact CD-CE2 3.77Å; K382-Y384 WeakPolarHBondContact CE-OH 3.47Å; K382-Y384 HydrophobicContact CG-CE2 3.82Å; K382-Y384 PolarHBondContact O-N 3.13Å; K382-Y384 VanDerWaalsContact O-N 3.09Å; Y384-R386 PolarHBondContact O-N 3.35Å; Y384-R415 VanDerWaalsContact CD1-NH2 3.28Å | ||
| 385 | F | 60.8 | Low | 46.6 | Very low | 84 Ų | 84 | 127.2 Ų | 127.2 | 37% | 0.368 | 62% | 0.62 | S | S | . | * | trans | -80.3 | 109.8 | 160.5 | -56.4 | -61.3 | 0 | 0 | 0 | 107.7 | V383 L407 L410 Q411 | V383-F385 HydrophobicContact CG1-CZ 4.4Å; F385-L407 HydrophobicContact CB-CD1 3.83Å; F385-L407 HydrophobicContact CB-CD2 4.41Å; F385-L407 HydrophobicContact CB-CG 4.33Å; F385-L407 HydrophobicContact CD2-CD1 3.98Å; F385-L407 HydrophobicContact CD2-CG 4.43Å; F385-L407 HydrophobicContact CG-CD1 4.23Å; F385-L410 HydrophobicContact CD2-CD2 4.27Å; F385-L410 HydrophobicContact CE2-CB 4.34Å; F385-L410 HydrophobicContact CE2-CD2 3.72Å; F385-L410 HydrophobicContact CE2-CG 3.74Å; F385-L410 HydrophobicContact CZ-CD2 4.16Å; F385-L410 HydrophobicContact CZ-CG 4.32Å; F385-Q411 HydrophobicContact CD2-CG 3.43Å; F385-Q411 VanDerWaalsContact CD2-CG 3.43Å; F385-Q411 HydrophobicContact CE2-CG 3.8Å; F385-Q411 HydrophobicContact CG-CG 4.39Å; F385-Q411 VanDerWaalsContact N-NE2 3.19Å; F385-Q411 PolarHBondContact O-NE2 3.37Å | ||
| 386 | R | 56.1 | Low | 47 | Very low | 230 Ų | 230 | 128.5 Ų | 128.5 | 87% | 0.868 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -91 | 119.8 | 166.3 | -75 | -173.7 | 169.1 | -152.9 | -2.1 | 108 | Y384 S388 | Y384-R386 PolarHBondContact O-N 3.35Å; R386-S388 PolarHBondContact O-N 3.35Å |
| 387 | F | 54.3 | Low | 47.5 | Very low | 95 Ų | 95 | 126.3 Ų | 126.3 | 42% | 0.417 | 62% | 0.621 | S | S | . | * | P | Polyproline II helix | trans | -68.7 | 121.7 | 163.6 | -83.6 | -76.4 | 0 | 0 | 0 | 109.1 | R389 F398 Y400 L407 | F387-R389 PolarHBondContact O-N 3.1Å; F387-F398 HydrophobicContact CZ-CE1 4.31Å; F387-Y400 HydrophobicContact CD2-CE2 4.36Å; F387-L407 HydrophobicContact CD2-CD2 4.07Å; F387-L407 HydrophobicContact CE2-CD1 3.84Å; F387-L407 HydrophobicContact CE2-CD2 3.81Å; F387-L407 HydrophobicContact CE2-CG 4.37Å; F387-L407 HydrophobicContact CZ-CD1 4.35Å |
| 388 | S | 47.3 | Very low | 48.2 | Very low | 80 Ų | 80 | 120.7 Ų | 120.7 | 56% | 0.559 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 123.9 | 171.9 | -64.2 | 0 | 0 | 0 | 0 | 109.4 | R386 G390 T391 | R386-S388 PolarHBondContact O-N 3.35Å; S388-G390 PolarHBondContact O-N 3.41Å; S388-T391 PolarHBondContact O-N 2.81Å; S388-T391 PolarHBondContact O-OG1 3.43Å |
| 389 | R | 48.5 | Very low | 49.4 | Very low | 266 Ų | 266 | 113.4 Ų | 113.4 | 100% | 1.004 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 23.4 | -171.8 | -150.3 | 180 | -171.6 | 168.6 | 2 | 114.5 | F387 | F387-R389 PolarHBondContact O-N 3.1Š|
| 390 | G | 50.4 | Low | 50.5 | Low | 64 Ų | 64 | 115.4 Ų | 115.4 | 66% | 0.66 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.6 | 6.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | S388 | S388-G390 PolarHBondContact O-N 3.41Š|
| 391 | T | 47.6 | Very low | 51.5 | Low | 100 Ų | 100 | 115.9 Ų | 115.9 | 61% | 0.613 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -102.3 | 18 | 175 | 59.2 | 0 | 0 | 0 | 0 | 112.9 | S388 | S388-T391 PolarHBondContact O-N 2.81Å; S388-T391 PolarHBondContact O-OG1 3.43Å |
| 392 | L | 41.8 | Very low | 52.5 | Low | 87 Ų | 87 | 117.8 Ų | 117.8 | 46% | 0.455 | 59% | 0.586 | S | S | . | * | trans | -139.5 | 71.6 | 178.2 | -70.7 | 174.9 | 0 | 0 | 0 | 108.9 | F398 | L392-F398 HydrophobicContact CD2-CB 3.76Š| ||
| 393 | S | 45.6 | Very low | 53.3 | Low | 120 Ų | 120 | 115.2 Ų | 115.2 | 84% | 0.839 | 58% | 0.577 | S | S | * | * | trans | -94.7 | 3.2 | 173.1 | 56.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 394 | D | 49.2 | Very low | 54.1 | Low | 76 Ų | 76 | 118.6 Ų | 118.6 | 41% | 0.406 | 59% | 0.588 | S | S | . | * | trans | -108.6 | 116.7 | -176 | 178.6 | 14.7 | 0 | 0 | 0 | 110.4 | F396 T397 | D394-F396 PolarHBondContact O-N 2.83Å; D394-F396 PolarHBondContact OD1-N 3.09Å; D394-T397 VanDerWaalsContact CG-OG1 3.27Å; D394-T397 WeakPolarHBondContact OD2-CB 3.43Å; D394-T397 WeakPolarHBondContact OD2-CG2 3.2Å; D394-T397 PolarHBondContact OD2-OG1 2.99Å | ||
| 395 | P | 49.4 | Very low | 55.1 | Low | 119 Ų | 119 | 117.1 Ų | 117.1 | 77% | 0.773 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -12 | -174.4 | -23.3 | 34.6 | 0 | 0 | 0 | 116.2 | ||
| 396 | F | 47.6 | Very low | 56 | Low | 189 Ų | 189 | 118.3 Ų | 118.3 | 83% | 0.829 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109 | -13 | -164.3 | -72.2 | -82.2 | 0 | 0 | 0 | 116 | D394 | D394-F396 PolarHBondContact O-N 2.83Å; D394-F396 PolarHBondContact OD1-N 3.09Å |
| 397 | T | 51.5 | Low | 57 | Low | 91 Ų | 91 | 109 Ų | 109 | 56% | 0.558 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -115.5 | -13.1 | -156.3 | 46.3 | 0 | 0 | 0 | 0 | 117.8 | D394 | D394-T397 VanDerWaalsContact CG-OG1 3.27Å; D394-T397 WeakPolarHBondContact OD2-CB 3.43Å; D394-T397 WeakPolarHBondContact OD2-CG2 3.2Å; D394-T397 PolarHBondContact OD2-OG1 2.99Å |
| 398 | F | 50.8 | Low | 58.1 | Low | 110 Ų | 110 | 108.3 Ų | 108.3 | 48% | 0.482 | 56% | 0.563 | S | S | . | * | trans | -148.6 | 106.5 | 176.3 | -140.6 | -105.1 | 0 | 0 | 0 | 114.9 | F387 L392 Y400 N403 | F387-F398 HydrophobicContact CZ-CE1 4.31Å; L392-F398 HydrophobicContact CD2-CB 3.76Å; F398-Y400 PolarHBondContact O-N 2.86Å; F398-Y400 VanDerWaalsContact O-N 3.13Å; F398-N403 HydrophobicContact CE1-CB 4.16Å; F398-N403 WeakPolarHBondContact CE1-ND2 3.22Å; F398-N403 WeakPolarHBondContact CZ-ND2 3.34Å | ||
| 399 | D | 59.4 | Low | 59.6 | Low | 71 Ų | 71 | 109.6 Ų | 109.6 | 38% | 0.38 | 56% | 0.56 | S | S | . | * | trans | -83.4 | 92.1 | -173.2 | -161.8 | -20.5 | 0 | 0 | 0 | 112.1 | L401 K402 N403 | D399-L401 PolarHBondContact O-N 3.41Å; D399-L401 VanDerWaalsContact O-N 3.16Å; D399-K402 HydrophobicContact CB-CB 4.29Å; D399-K402 HydrophobicContact CB-CD 4.07Å; D399-K402 HydrophobicContact CB-CG 4.27Å; D399-K402 PolarHBondContact O-N 3.28Å; D399-K402 VanDerWaalsContact O-N 3.14Å; D399-K402 VanDerWaalsContact OD2-CD 3.27Å; D399-K402 WeakPolarHBondContact OD2-CD 3.33Å; D399-K402 WeakPolarHBondContact OD2-CE 3.26Å; D399-K402 IonicContact OD2-NZ 2.8Å; D399-K402 PolarHBondContact OD2-NZ 3.15Å; D399-N403 PolarHBondContact O-N 2.81Å; D399-N403 VanDerWaalsContact O-N 3.07Å | ||
| 400 | Y | 58 | Low | 61.1 | Low | 129 Ų | 129 | 100.9 Ų | 100.9 | 51% | 0.506 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -53.5 | -35 | -176 | 173.8 | -99.6 | 0 | 0 | 0 | 113.6 | F387 F398 K404 | F387-Y400 HydrophobicContact CD2-CE2 4.36Å; F398-Y400 PolarHBondContact O-N 2.86Å; F398-Y400 VanDerWaalsContact O-N 3.13Å; Y400-K404 WeakPolarHBondContact O-CB 3.15Å; Y400-K404 PolarHBondContact O-N 3.18Å |
| 401 | L | 60.4 | Low | 62.6 | Low | 142 Ų | 142 | 99 Ų | 99 | 74% | 0.743 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -71.2 | -39.1 | -178.9 | -81.6 | 83.2 | 0 | 0 | 0 | 111.9 | D399 | D399-L401 PolarHBondContact O-N 3.41Å; D399-L401 VanDerWaalsContact O-N 3.16Å |
| 402 | K | 66.6 | Low | 64.1 | Low | 150 Ų | 150 | 97.1 Ų | 97.1 | 65% | 0.652 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.8 | -42.6 | 175 | -66.2 | 179.5 | -178.4 | 131.6 | 0 | 111.3 | D399 K404 | D399-K402 HydrophobicContact CB-CB 4.29Å; D399-K402 HydrophobicContact CB-CD 4.07Å; D399-K402 HydrophobicContact CB-CG 4.27Å; D399-K402 PolarHBondContact O-N 3.28Å; D399-K402 VanDerWaalsContact O-N 3.14Å; D399-K402 VanDerWaalsContact OD2-CD 3.27Å; D399-K402 WeakPolarHBondContact OD2-CD 3.33Å; D399-K402 WeakPolarHBondContact OD2-CE 3.26Å; D399-K402 IonicContact OD2-NZ 2.8Å; D399-K402 PolarHBondContact OD2-NZ 3.15Å; K402-K404 PolarHBondContact O-N 3.06Å |
| 403 | N | 66.8 | Low | 65.9 | Low | 46 Ų | 46 | 102.2 Ų | 102.2 | 25% | 0.246 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -84.3 | -6.7 | -173.9 | -67.8 | -17.5 | 0 | 0 | 0 | 114.4 | F398 D399 E405 L406 L407 | F398-N403 HydrophobicContact CE1-CB 4.16Å; F398-N403 WeakPolarHBondContact CE1-ND2 3.22Å; F398-N403 WeakPolarHBondContact CZ-ND2 3.34Å; D399-N403 PolarHBondContact O-N 2.81Å; D399-N403 VanDerWaalsContact O-N 3.07Å; N403-E405 VanDerWaalsContact C-N 3.34Å; N403-E405 PolarHBondContact O-N 2.92Å; N403-L406 PolarHBondContact O-N 2.91Å; N403-L407 PolarHBondContact O-N 3.13Å |
| 404 | K | 71.2 | Confident | 67.6 | Low | 111 Ų | 111 | 98.3 Ų | 98.3 | 48% | 0.483 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -57.4 | -43.8 | 175.5 | -179.2 | -175.1 | 173.7 | -168.2 | 0 | 112.7 | Y400 K402 L407 I408 | Y400-K404 WeakPolarHBondContact O-CB 3.15Å; Y400-K404 PolarHBondContact O-N 3.18Å; K402-K404 PolarHBondContact O-N 3.06Å; K404-L407 WeakPolarHBondContact O-CB 3.39Å; K404-L407 PolarHBondContact O-N 2.8Å; K404-I408 HydrophobicContact CG-CD1 4.1Å; K404-I408 WeakPolarHBondContact O-CG1 3.33Å; K404-I408 PolarHBondContact O-N 3.24Å |
| 405 | E | 74.5 | Confident | 68.9 | Low | 100 Ų | 100 | 99 Ų | 99 | 47% | 0.467 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -70.1 | -44.4 | -177.1 | -176.6 | 51.8 | -145.2 | 0 | 0 | 111.3 | N403 L407 I408 Q409 | N403-E405 VanDerWaalsContact C-N 3.34Å; N403-E405 PolarHBondContact O-N 2.92Å; E405-L407 VanDerWaalsContact C-N 3.27Å; E405-L407 PolarHBondContact O-N 2.79Å; E405-I408 PolarHBondContact O-N 3.15Å; E405-I408 VanDerWaalsContact O-N 3.1Å; E405-Q409 WeakPolarHBondContact O-CG 3.48Å; E405-Q409 PolarHBondContact O-N 2.92Å; E405-Q409 PolarHBondContact OE1-NE2 3.49Å |
| 406 | L | 78.1 | Confident | 70.4 | Confident | 109 Ų | 109 | 94.2 Ų | 94.2 | 57% | 0.571 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -54.8 | -40.7 | 170.1 | -79.2 | 152.5 | 0 | 0 | 0 | 112.3 | N403 Q409 L410 | N403-L406 PolarHBondContact O-N 2.91Å; L406-Q409 PolarHBondContact O-N 2.83Å; L406-L410 WeakPolarHBondContact O-CB 3.23Å; L406-L410 PolarHBondContact O-N 2.83Å |
| 407 | L | 77.1 | Confident | 72.2 | Confident | 33 Ų | 33 | 93.3 Ų | 93.3 | 17% | 0.173 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -66.2 | -40.7 | 176.3 | -163.9 | 78.3 | 0 | 0 | 0 | 112.4 | F385 F387 N403 K404 E405 L410 Q411 | F385-L407 HydrophobicContact CB-CD1 3.83Å; F385-L407 HydrophobicContact CB-CD2 4.41Å; F385-L407 HydrophobicContact CB-CG 4.33Å; F385-L407 HydrophobicContact CD2-CD1 3.98Å; F385-L407 HydrophobicContact CD2-CG 4.43Å; F385-L407 HydrophobicContact CG-CD1 4.23Å; F387-L407 HydrophobicContact CD2-CD2 4.07Å; F387-L407 HydrophobicContact CE2-CD1 3.84Å; F387-L407 HydrophobicContact CE2-CD2 3.81Å; F387-L407 HydrophobicContact CE2-CG 4.37Å; F387-L407 HydrophobicContact CZ-CD1 4.35Å; N403-L407 PolarHBondContact O-N 3.13Å; K404-L407 WeakPolarHBondContact O-CB 3.39Å; K404-L407 PolarHBondContact O-N 2.8Å; E405-L407 VanDerWaalsContact C-N 3.27Å; E405-L407 PolarHBondContact O-N 2.79Å; L407-L410 PolarHBondContact O-N 3.24Å; L407-Q411 WeakPolarHBondContact O-CG 3.37Å; L407-Q411 PolarHBondContact O-N 2.9Å |
| 408 | I | 77.8 | Confident | 73.6 | Confident | 81 Ų | 81 | 90.9 Ų | 90.9 | 42% | 0.415 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65 | -45 | 177 | -70.1 | 165.5 | 0 | 0 | 0 | 110 | K404 E405 L410 Q411 A412 | K404-I408 HydrophobicContact CG-CD1 4.1Å; K404-I408 WeakPolarHBondContact O-CG1 3.33Å; K404-I408 PolarHBondContact O-N 3.24Å; E405-I408 PolarHBondContact O-N 3.15Å; E405-I408 VanDerWaalsContact O-N 3.1Å; I408-L410 PolarHBondContact O-N 3.39Å; I408-Q411 PolarHBondContact O-N 2.95Å; I408-A412 WeakPolarHBondContact O-CB 3.29Å; I408-A412 PolarHBondContact O-N 3.15Å |
| 409 | Q | 79.1 | Confident | 74.9 | Confident | 108 Ų | 108 | 90.2 Ų | 90.2 | 51% | 0.505 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.1 | -39 | 176 | -68.3 | 177.2 | 17.3 | 0 | 0 | 112.1 | E405 L406 A412 R413 | E405-Q409 WeakPolarHBondContact O-CG 3.48Å; E405-Q409 PolarHBondContact O-N 2.92Å; E405-Q409 PolarHBondContact OE1-NE2 3.49Å; L406-Q409 PolarHBondContact O-N 2.83Å; Q409-A412 PolarHBondContact O-N 3.35Å; Q409-R413 WeakPolarHBondContact O-CB 3.47Å; Q409-R413 PolarHBondContact O-N 2.92Å |
| 410 | L | 80.9 | Confident | 76 | Confident | 83 Ų | 83 | 94.2 Ų | 94.2 | 44% | 0.435 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.3 | -45.8 | 173.6 | -172.7 | 65.1 | 0 | 0 | 0 | 111.7 | F385 L406 L407 I408 A412 R413 C414 | F385-L410 HydrophobicContact CD2-CD2 4.27Å; F385-L410 HydrophobicContact CE2-CB 4.34Å; F385-L410 HydrophobicContact CE2-CD2 3.72Å; F385-L410 HydrophobicContact CE2-CG 3.74Å; F385-L410 HydrophobicContact CZ-CD2 4.16Å; F385-L410 HydrophobicContact CZ-CG 4.32Å; L406-L410 WeakPolarHBondContact O-CB 3.23Å; L406-L410 PolarHBondContact O-N 2.83Å; L407-L410 PolarHBondContact O-N 3.24Å; I408-L410 PolarHBondContact O-N 3.39Å; L410-A412 VanDerWaalsContact C-N 3.31Å; L410-A412 PolarHBondContact O-N 3.03Å; L410-R413 PolarHBondContact O-N 2.71Å; L410-C414 WeakPolarHBondContact O-CB 3.26Å; L410-C414 PolarHBondContact O-N 3.35Å; L410-C414 PolarHBondContact O-SG 3.48Å |
| 411 | Q | 81.1 | Confident | 77.2 | Confident | 25 Ų | 25 | 90.1 Ų | 90.1 | 12% | 0.117 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -59.7 | -41.5 | 174.8 | -71.6 | -176.3 | 29.9 | 0 | 0 | 111.6 | F385 L407 I408 R415 | F385-Q411 HydrophobicContact CD2-CG 3.43Å; F385-Q411 VanDerWaalsContact CD2-CG 3.43Å; F385-Q411 HydrophobicContact CE2-CG 3.8Å; F385-Q411 HydrophobicContact CG-CG 4.39Å; F385-Q411 VanDerWaalsContact N-NE2 3.19Å; F385-Q411 PolarHBondContact O-NE2 3.37Å; L407-Q411 WeakPolarHBondContact O-CG 3.37Å; L407-Q411 PolarHBondContact O-N 2.9Å; I408-Q411 PolarHBondContact O-N 2.95Å; Q411-R415 WeakPolarHBondContact O-CB 3.27Å; Q411-R415 WeakPolarHBondContact O-CG 3.47Å; Q411-R415 PolarHBondContact O-N 2.95Å |
| 412 | A | 78.3 | Confident | 78.1 | Confident | 59 Ų | 59 | 88.9 Ų | 88.9 | 49% | 0.488 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I408 Q409 L410 G416 | I408-A412 WeakPolarHBondContact O-CB 3.29Å; I408-A412 PolarHBondContact O-N 3.15Å; Q409-A412 PolarHBondContact O-N 3.35Å; L410-A412 VanDerWaalsContact C-N 3.31Å; L410-A412 PolarHBondContact O-N 3.03Å; A412-G416 PolarHBondContact O-N 3.26Å |
| 413 | R | 80.8 | Confident | 78.8 | Confident | 195 Ų | 195 | 84 Ų | 84 | 74% | 0.736 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -63.9 | -43.8 | 177.9 | -170 | 174.9 | -178.5 | -179.6 | -0 | 111.8 | Q409 L410 W417 | Q409-R413 WeakPolarHBondContact O-CB 3.47Å; Q409-R413 PolarHBondContact O-N 2.92Å; L410-R413 PolarHBondContact O-N 2.71Å; R413-W417 WeakPolarHBondContact O-CB 3.44Å; R413-W417 PolarHBondContact O-N 2.83Å |
| 414 | C | 80.2 | Confident | 79.7 | Confident | 38 Ų | 38 | 84.8 Ų | 84.8 | 26% | 0.257 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.8 | -49.2 | 175.8 | -67.6 | 0 | 0 | 0 | 0 | 111.9 | V383 L410 G416 W417 I418 | V383-C414 HydrophobicContact CG1-CB 4.48Å; L410-C414 WeakPolarHBondContact O-CB 3.26Å; L410-C414 PolarHBondContact O-N 3.35Å; L410-C414 PolarHBondContact O-SG 3.48Å; C414-G416 VanDerWaalsContact C-N 3.33Å; C414-G416 PolarHBondContact O-N 3.15Å; C414-W417 PolarHBondContact O-N 3.46Å; C414-I418 WeakPolarHBondContact O-CG1 3.15Å; C414-I418 PolarHBondContact O-N 2.83Å |
| 415 | R | 78.3 | Confident | 80.2 | Confident | 89 Ų | 89 | 82.9 Ų | 82.9 | 34% | 0.336 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -59.6 | -44.4 | 176.3 | -70.7 | 171 | -171.2 | 179.6 | 5.3 | 111.3 | V383 Y384 Q411 W417 I418 T419 | V383-R415 HydrophobicContact CB-CG 4.15Å; V383-R415 VanDerWaalsContact O-CZ 3.31Å; V383-R415 PolarHBondContact O-NE 3.17Å; V383-R415 PolarHBondContact O-NH2 2.93Å; Y384-R415 VanDerWaalsContact CD1-NH2 3.28Å; Q411-R415 WeakPolarHBondContact O-CB 3.27Å; Q411-R415 WeakPolarHBondContact O-CG 3.47Å; Q411-R415 PolarHBondContact O-N 2.95Å; R415-W417 PolarHBondContact O-N 3.09Å; R415-I418 PolarHBondContact O-N 2.7Å; R415-T419 WeakPolarHBondContact O-CB 3.28Å; R415-T419 PolarHBondContact O-N 3.45Å; R415-T419 PolarHBondContact O-OG1 3.32Å |
| 416 | G | 80.9 | Confident | 80.7 | Confident | 20 Ų | 20 | 82.9 Ų | 82.9 | 21% | 0.206 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -64.3 | -35.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | A412 C414 R420 | A412-G416 PolarHBondContact O-N 3.26Å; C414-G416 VanDerWaalsContact C-N 3.33Å; C414-G416 PolarHBondContact O-N 3.15Å; G416-R420 WeakPolarHBondContact O-CB 3.38Å; G416-R420 WeakPolarHBondContact O-CG 3.18Å; G416-R420 VanDerWaalsContact O-CZ 3.31Å; G416-R420 PolarHBondContact O-N 2.87Å; G416-R420 PolarHBondContact O-NH1 3.23Å |
| 417 | W | 84.6 | Confident | 81 | Confident | 170 Ų | 170 | 85.4 Ų | 85.4 | 64% | 0.644 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -67.7 | -46.8 | 173.7 | -178.8 | 87.2 | 0 | 0 | 0 | 111.5 | R413 C414 R415 T419 R420 S421 | R413-W417 WeakPolarHBondContact O-CB 3.44Å; R413-W417 PolarHBondContact O-N 2.83Å; C414-W417 PolarHBondContact O-N 3.46Å; R415-W417 PolarHBondContact O-N 3.09Å; W417-T419 VanDerWaalsContact C-N 3.33Å; W417-T419 PolarHBondContact O-N 2.77Å; W417-R420 CarbonylContact O-C 3.54Å; W417-R420 PolarHBondContact O-N 3.18Å; W417-R420 VanDerWaalsContact O-N 3.12Å; W417-S421 PolarHBondContact O-N 3.37Å |
| 418 | I | 79.9 | Confident | 81.3 | Confident | 40 Ų | 40 | 87.9 Ų | 87.9 | 21% | 0.205 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -59.4 | -43.5 | 175.5 | -66.2 | 169.2 | 0 | 0 | 0 | 111.2 | L381 V383 C414 R415 R420 S421 K422 | L381-I418 HydrophobicContact CD2-CG2 3.7Å; V383-I418 HydrophobicContact CG2-CD1 3.61Å; C414-I418 WeakPolarHBondContact O-CG1 3.15Å; C414-I418 PolarHBondContact O-N 2.83Å; R415-I418 PolarHBondContact O-N 2.7Å; I418-R420 VanDerWaalsContact C-N 3.33Å; I418-R420 PolarHBondContact O-N 3.25Å; I418-S421 PolarHBondContact O-N 2.92Å; I418-K422 HydrophobicContact CG2-CD 4.45Å; I418-K422 PolarHBondContact O-N 3.29Å |
| 419 | T | 78.5 | Confident | 81.6 | Confident | 96 Ų | 96 | 90 Ų | 90 | 59% | 0.589 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -63.9 | -37.3 | 176.6 | -57.5 | 0 | 0 | 0 | 0 | 111.9 | R415 W417 S423 | R415-T419 WeakPolarHBondContact O-CB 3.28Å; R415-T419 PolarHBondContact O-N 3.45Å; R415-T419 PolarHBondContact O-OG1 3.32Å; W417-T419 VanDerWaalsContact C-N 3.33Å; W417-T419 PolarHBondContact O-N 2.77Å; T419-S423 VanDerWaalsContact O-CB 3.24Å; T419-S423 WeakPolarHBondContact O-CB 3.29Å; T419-S423 PolarHBondContact O-N 2.97Å |
| 420 | R | 83.3 | Confident | 81.9 | Confident | 154 Ų | 154 | 89 Ų | 89 | 58% | 0.581 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -70.1 | -38 | 174 | -76.5 | -173.9 | -60.1 | -88.6 | -1.3 | 112.8 | G416 W417 I418 S423 S424 | G416-R420 WeakPolarHBondContact O-CB 3.38Å; G416-R420 WeakPolarHBondContact O-CG 3.18Å; G416-R420 VanDerWaalsContact O-CZ 3.31Å; G416-R420 PolarHBondContact O-N 2.87Å; G416-R420 PolarHBondContact O-NH1 3.23Å; W417-R420 CarbonylContact O-C 3.54Å; W417-R420 PolarHBondContact O-N 3.18Å; W417-R420 VanDerWaalsContact O-N 3.12Å; I418-R420 VanDerWaalsContact C-N 3.33Å; I418-R420 PolarHBondContact O-N 3.25Å; R420-S423 PolarHBondContact O-N 3.21Å; R420-S424 WeakPolarHBondContact O-CB 3.38Å; R420-S424 PolarHBondContact O-N 3.07Å |
| 421 | S | 82.5 | Confident | 82 | Confident | 44 Ų | 44 | 91.7 Ų | 91.7 | 31% | 0.308 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -58.3 | -59.5 | 171.9 | -168.4 | 0 | 0 | 0 | 0 | 109.5 | W417 I418 S423 S424 D425 | W417-S421 PolarHBondContact O-N 3.37Å; I418-S421 PolarHBondContact O-N 2.92Å; S421-S423 PolarHBondContact O-N 3.38Å; S421-S423 VanDerWaalsContact O-N 3.11Å; S421-S424 CarbonylContact O-C 3.55Å; S421-S424 VanDerWaalsContact O-CA 3.29Å; S421-S424 WeakPolarHBondContact O-CA 3.27Å; S421-S424 VanDerWaalsContact O-CB 3.22Å; S421-S424 WeakPolarHBondContact O-CB 3.35Å; S421-S424 PolarHBondContact O-N 2.89Å; S421-D425 PolarHBondContact O-N 3.43Å; S421-D425 PolarHBondContact OG-OD2 2.91Å |
| 422 | K | 79.5 | Confident | 82.2 | Confident | 115 Ų | 115 | 92.9 Ų | 92.9 | 50% | 0.5 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -58.4 | -32.3 | 179.9 | -67.9 | -169.4 | 175.6 | -162.2 | 0 | 113.5 | I418 D425 Q426 | I418-K422 HydrophobicContact CG2-CD 4.45Å; I418-K422 PolarHBondContact O-N 3.29Å; K422-D425 WeakPolarHBondContact CA-OD2 3.48Å; K422-D425 PolarHBondContact N-OD2 3.31Å; K422-Q426 VanDerWaalsContact O-CB 3.25Å; K422-Q426 WeakPolarHBondContact O-CB 3.28Å; K422-Q426 PolarHBondContact O-N 2.75Å |
| 423 | S | 81.5 | Confident | 82.6 | Confident | 47 Ų | 47 | 93.6 Ų | 93.6 | 33% | 0.329 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -75.5 | -20.6 | 172.7 | -179.1 | 0 | 0 | 0 | 0 | 113.8 | T419 R420 S421 R427 | T419-S423 VanDerWaalsContact O-CB 3.24Å; T419-S423 WeakPolarHBondContact O-CB 3.29Å; T419-S423 PolarHBondContact O-N 2.97Å; R420-S423 PolarHBondContact O-N 3.21Å; S421-S423 PolarHBondContact O-N 3.38Å; S421-S423 VanDerWaalsContact O-N 3.11Å; S423-R427 WeakPolarHBondContact O-CD 3.43Å; S423-R427 WeakPolarHBondContact O-CG 3.37Å |
| 424 | S | 85.2 | Confident | 82.8 | Confident | 64 Ų | 64 | 89.6 Ų | 89.6 | 45% | 0.448 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -79.5 | -45.5 | 169.4 | -168.1 | 0 | 0 | 0 | 0 | 110.2 | R420 S421 R427 T428 | R420-S424 WeakPolarHBondContact O-CB 3.38Å; R420-S424 PolarHBondContact O-N 3.07Å; S421-S424 CarbonylContact O-C 3.55Å; S421-S424 VanDerWaalsContact O-CA 3.29Å; S421-S424 WeakPolarHBondContact O-CA 3.27Å; S421-S424 VanDerWaalsContact O-CB 3.22Å; S421-S424 WeakPolarHBondContact O-CB 3.35Å; S421-S424 PolarHBondContact O-N 2.89Å; S424-R427 CarbonylContact O-C 3.56Å; S424-R427 WeakPolarHBondContact O-CA 3.42Å; S424-R427 WeakPolarHBondContact O-CB 3.46Å; S424-R427 PolarHBondContact O-N 2.99Å; S424-T428 PolarHBondContact O-N 3.4Å; S424-T428 PolarHBondContact O-OG1 2.89Å |
| 425 | D | 83 | Confident | 82.9 | Confident | 70 Ų | 70 | 91 Ų | 91 | 37% | 0.374 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -59.9 | -47.4 | 177.7 | -49.3 | -33.6 | 0 | 0 | 0 | 110.2 | S421 K422 R427 T428 E429 | S421-D425 PolarHBondContact O-N 3.43Å; S421-D425 PolarHBondContact OG-OD2 2.91Å; K422-D425 WeakPolarHBondContact CA-OD2 3.48Å; K422-D425 PolarHBondContact N-OD2 3.31Å; D425-R427 PolarHBondContact O-N 2.9Å; D425-T428 PolarHBondContact O-N 3.38Å; D425-T428 VanDerWaalsContact O-N 3.13Å; D425-T428 PolarHBondContact O-OG1 3.42Å; D425-E429 WeakPolarHBondContact O-CG 3.36Å; D425-E429 PolarHBondContact O-N 3.49Å |
| 426 | Q | 83.7 | Confident | 83.1 | Confident | 101 Ų | 101 | 92.2 Ų | 92.2 | 47% | 0.472 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.2 | -27.6 | 174 | -170.3 | 173.5 | 5.7 | 0 | 0 | 112.9 | K422 E430 | K422-Q426 VanDerWaalsContact O-CB 3.25Å; K422-Q426 WeakPolarHBondContact O-CB 3.28Å; K422-Q426 PolarHBondContact O-N 2.75Å; Q426-E430 WeakPolarHBondContact O-CB 3.25Å; Q426-E430 WeakPolarHBondContact O-CG 3.32Å; Q426-E430 PolarHBondContact O-N 3.05Å |
| 427 | R | 84 | Confident | 83.2 | Confident | 161 Ų | 161 | 96.9 Ų | 96.9 | 61% | 0.608 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -78.5 | -29.5 | 174.9 | -76.5 | 169.9 | -175.2 | -176.3 | -0 | 112.8 | S423 S424 D425 K431 | S423-R427 WeakPolarHBondContact O-CD 3.43Å; S423-R427 WeakPolarHBondContact O-CG 3.37Å; S424-R427 CarbonylContact O-C 3.56Å; S424-R427 WeakPolarHBondContact O-CA 3.42Å; S424-R427 WeakPolarHBondContact O-CB 3.46Å; S424-R427 PolarHBondContact O-N 2.99Å; D425-R427 PolarHBondContact O-N 2.9Å; R427-K431 WeakPolarHBondContact O-CB 3.5Å; R427-K431 VanDerWaalsContact O-CG 3.26Å; R427-K431 WeakPolarHBondContact O-CG 3.49Å; R427-K431 PolarHBondContact O-N 3.28Å; R427-K431 VanDerWaalsContact O-N 3.12Å |
| 428 | T | 84.3 | Confident | 83.2 | Confident | 85 Ų | 85 | 95.6 Ų | 95.6 | 52% | 0.521 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -75.5 | -38.1 | 171.4 | 50.5 | 0 | 0 | 0 | 0 | 110.5 | S424 D425 K431 A432 | S424-T428 PolarHBondContact O-N 3.4Å; S424-T428 PolarHBondContact O-OG1 2.89Å; D425-T428 PolarHBondContact O-N 3.38Å; D425-T428 VanDerWaalsContact O-N 3.13Å; D425-T428 PolarHBondContact O-OG1 3.42Å; T428-K431 PolarHBondContact O-N 3.4Å; T428-A432 WeakPolarHBondContact O-CB 3.46Å; T428-A432 PolarHBondContact O-N 2.97Å |
| 429 | E | 84.1 | Confident | 83.2 | Confident | 126 Ų | 126 | 97.8 Ų | 97.8 | 59% | 0.589 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -57.8 | -51.8 | 168.2 | -71.7 | 174 | 176.3 | 0 | 0 | 111.8 | D425 K431 A432 V433 | D425-E429 WeakPolarHBondContact O-CG 3.36Å; D425-E429 PolarHBondContact O-N 3.49Å; E429-K431 VanDerWaalsContact C-N 3.29Å; E429-K431 PolarHBondContact O-N 3.17Å; E429-A432 PolarHBondContact O-N 3Å; E429-A432 VanDerWaalsContact O-N 3.14Å; E429-V433 WeakPolarHBondContact O-CG2 3.21Å; E429-V433 PolarHBondContact O-N 3.42Å |
| 430 | E | 84.5 | Confident | 83.2 | Confident | 86 Ų | 86 | 95.2 Ų | 95.2 | 40% | 0.402 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -58.5 | -37.8 | 176.1 | -85.7 | -174.6 | -145.5 | 0 | 0 | 113 | Q426 R434 | Q426-E430 WeakPolarHBondContact O-CB 3.25Å; Q426-E430 WeakPolarHBondContact O-CG 3.32Å; Q426-E430 PolarHBondContact O-N 3.05Å; E430-R434 WeakPolarHBondContact O-CB 3.33Å; E430-R434 WeakPolarHBondContact O-CG 3.37Å; E430-R434 PolarHBondContact O-N 3.46Å; E430-R434 IonicContact OE2-CZ 2.77Å; E430-R434 IonicContact OE2-NH2 2.96Å; E430-R434 PolarHBondContact OE2-NH2 3.08Å |
| 431 | K | 84.5 | Confident | 83.1 | Confident | 141 Ų | 141 | 92 Ų | 92 | 61% | 0.613 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -69.7 | -39.8 | 175.5 | -79.8 | 177.6 | 175.7 | -172.5 | 0 | 111.8 | R427 T428 E429 R434 C435 | R427-K431 WeakPolarHBondContact O-CB 3.5Å; R427-K431 VanDerWaalsContact O-CG 3.26Å; R427-K431 WeakPolarHBondContact O-CG 3.49Å; R427-K431 PolarHBondContact O-N 3.28Å; R427-K431 VanDerWaalsContact O-N 3.12Å; T428-K431 PolarHBondContact O-N 3.4Å; E429-K431 VanDerWaalsContact C-N 3.29Å; E429-K431 PolarHBondContact O-N 3.17Å; K431-R434 PolarHBondContact O-N 2.9Å; K431-C435 VanDerWaalsContact O-CB 3.26Å; K431-C435 WeakPolarHBondContact O-CB 3.29Å; K431-C435 PolarHBondContact O-N 2.98Å |
| 432 | A | 85.2 | Confident | 82.9 | Confident | 49 Ų | 49 | 92.9 Ų | 92.9 | 41% | 0.405 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64 | -45.6 | 175 | 0 | 0 | 0 | 0 | 0 | 110.8 | T428 E429 C435 I436 | T428-A432 WeakPolarHBondContact O-CB 3.46Å; T428-A432 PolarHBondContact O-N 2.97Å; E429-A432 PolarHBondContact O-N 3Å; E429-A432 VanDerWaalsContact O-N 3.14Å; A432-C435 WeakPolarHBondContact O-CB 3.28Å; A432-C435 PolarHBondContact O-N 2.7Å; A432-I436 WeakPolarHBondContact O-CB 3.39Å; A432-I436 VanDerWaalsContact O-CG1 3.26Å; A432-I436 WeakPolarHBondContact O-CG1 3.38Å; A432-I436 PolarHBondContact O-N 2.92Å |
| 433 | V | 86.3 | Confident | 82.5 | Confident | 74 Ų | 74 | 91.6 Ų | 91.6 | 45% | 0.448 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.1 | -46 | 174.7 | 171.9 | 0 | 0 | 0 | 0 | 111.3 | E429 C435 I436 Q437 | E429-V433 WeakPolarHBondContact O-CG2 3.21Å; E429-V433 PolarHBondContact O-N 3.42Å; V433-C435 VanDerWaalsContact C-N 3.32Å; V433-C435 PolarHBondContact O-N 3.01Å; V433-I436 PolarHBondContact O-N 3.17Å; V433-Q437 HydrophobicContact CG1-CG 4.31Å; V433-Q437 WeakPolarHBondContact O-CB 3.37Å; V433-Q437 VanDerWaalsContact O-CG 3.26Å; V433-Q437 WeakPolarHBondContact O-CG 3.35Å; V433-Q437 PolarHBondContact O-N 2.76Å |
| 434 | R | 85.8 | Confident | 82.3 | Confident | 111 Ų | 111 | 94.8 Ų | 94.8 | 42% | 0.419 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.4 | -37.2 | 174.7 | -77.8 | -174.9 | -116.4 | -176.1 | -7.9 | 112.8 | E312 E430 K431 K438 | E312-R434 IonicContact OE1-NH1 2.68Å; E312-R434 PolarHBondContact OE1-NH1 3.33Å; E312-R434 IonicContact OE2-NH1 2.66Å; E430-R434 WeakPolarHBondContact O-CB 3.33Å; E430-R434 WeakPolarHBondContact O-CG 3.37Å; E430-R434 PolarHBondContact O-N 3.46Å; E430-R434 IonicContact OE2-CZ 2.77Å; E430-R434 IonicContact OE2-NH2 2.96Å; E430-R434 PolarHBondContact OE2-NH2 3.08Å; K431-R434 PolarHBondContact O-N 2.9Å; R434-K438 WeakPolarHBondContact O-CB 3.46Å; R434-K438 PolarHBondContact O-N 3.45Å |
| 435 | C | 81.5 | Confident | 82.2 | Confident | 68 Ų | 68 | 95.2 Ų | 95.2 | 46% | 0.459 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.5 | -47.3 | 174.8 | -170.7 | 0 | 0 | 0 | 0 | 111.3 | K431 A432 V433 Q437 K438 N439 | K431-C435 VanDerWaalsContact O-CB 3.26Å; K431-C435 WeakPolarHBondContact O-CB 3.29Å; K431-C435 PolarHBondContact O-N 2.98Å; A432-C435 WeakPolarHBondContact O-CB 3.28Å; A432-C435 PolarHBondContact O-N 2.7Å; V433-C435 VanDerWaalsContact C-N 3.32Å; V433-C435 PolarHBondContact O-N 3.01Å; C435-Q437 PolarHBondContact O-N 3.27Å; C435-K438 PolarHBondContact O-N 2.94Å; C435-N439 WeakPolarHBondContact O-CB 3.16Å; C435-N439 PolarHBondContact O-N 3.34Å; C435-N439 PolarHBondContact O-OD1 3.4Å |
| 436 | I | 82.8 | Confident | 82.1 | Confident | 114 Ų | 114 | 96.4 Ų | 96.4 | 59% | 0.585 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.5 | -43.8 | 175.8 | -68.4 | 162.9 | 0 | 0 | 0 | 110.7 | A432 V433 N439 A440 | A432-I436 WeakPolarHBondContact O-CB 3.39Å; A432-I436 VanDerWaalsContact O-CG1 3.26Å; A432-I436 WeakPolarHBondContact O-CG1 3.38Å; A432-I436 PolarHBondContact O-N 2.92Å; V433-I436 PolarHBondContact O-N 3.17Å; I436-N439 PolarHBondContact O-N 3.15Å; I436-A440 WeakPolarHBondContact O-CB 3.04Å; I436-A440 PolarHBondContact O-N 2.9Å |
| 437 | Q | 83.3 | Confident | 81.8 | Confident | 119 Ų | 119 | 100.2 Ų | 100.2 | 56% | 0.556 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.5 | -42.6 | 176.3 | -75.4 | 172.1 | -21.3 | 0 | 0 | 112.2 | V433 C435 A440 S441 | V433-Q437 HydrophobicContact CG1-CG 4.31Å; V433-Q437 WeakPolarHBondContact O-CB 3.37Å; V433-Q437 VanDerWaalsContact O-CG 3.26Å; V433-Q437 WeakPolarHBondContact O-CG 3.35Å; V433-Q437 PolarHBondContact O-N 2.76Å; C435-Q437 PolarHBondContact O-N 3.27Å; Q437-A440 PolarHBondContact O-N 2.8Å; Q437-S441 WeakPolarHBondContact O-CB 3.3Å; Q437-S441 PolarHBondContact O-N 2.86Å |
| 438 | K | 83.5 | Confident | 81.6 | Confident | 143 Ų | 143 | 96.7 Ų | 96.7 | 62% | 0.622 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.5 | -45.9 | 175.7 | -174.5 | 174.6 | -179.6 | 178.6 | 0 | 111.4 | R434 C435 A440 S441 I442 | R434-K438 WeakPolarHBondContact O-CB 3.46Å; R434-K438 PolarHBondContact O-N 3.45Å; C435-K438 PolarHBondContact O-N 2.94Å; K438-A440 VanDerWaalsContact C-N 3.33Å; K438-A440 PolarHBondContact O-N 3.3Å; K438-S441 WeakPolarHBondContact O-CB 3.49Å; K438-S441 PolarHBondContact O-N 3.34Å; K438-I442 HydrophobicContact CG-CD1 3.95Å; K438-I442 VanDerWaalsContact O-CG1 3.32Å; K438-I442 WeakPolarHBondContact O-CG1 3.47Å; K438-I442 PolarHBondContact O-N 3.44Å |
| 439 | N | 80.4 | Confident | 81.6 | Confident | 86 Ų | 86 | 98.6 Ų | 98.6 | 46% | 0.46 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.1 | -37.6 | 177.8 | -67.2 | -5.8 | 0 | 0 | 0 | 111.5 | C435 I436 I442 M443 | C435-N439 WeakPolarHBondContact O-CB 3.16Å; C435-N439 PolarHBondContact O-N 3.34Å; C435-N439 PolarHBondContact O-OD1 3.4Å; I436-N439 PolarHBondContact O-N 3.15Å; N439-I442 PolarHBondContact O-N 2.83Å; N439-M443 VanDerWaalsContact O-CB 3.23Å; N439-M443 WeakPolarHBondContact O-CB 3.28Å; N439-M443 WeakPolarHBondContact O-CG 3.27Å; N439-M443 PolarHBondContact O-N 2.97Å |
| 440 | A | 79.1 | Confident | 81.6 | Confident | 42 Ų | 42 | 96.4 Ų | 96.4 | 35% | 0.347 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.1 | -40.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I436 Q437 K438 I442 M443 L444 | I436-A440 WeakPolarHBondContact O-CB 3.04Å; I436-A440 PolarHBondContact O-N 2.9Å; Q437-A440 PolarHBondContact O-N 2.8Å; K438-A440 VanDerWaalsContact C-N 3.33Å; K438-A440 PolarHBondContact O-N 3.3Å; A440-I442 VanDerWaalsContact C-N 3.34Å; A440-I442 PolarHBondContact O-N 2.92Å; A440-M443 CarbonylContact O-C 3.6Å; A440-M443 PolarHBondContact O-N 3.33Å; A440-L444 VanDerWaalsContact O-CB 3.23Å; A440-L444 WeakPolarHBondContact O-CB 3.46Å; A440-L444 WeakPolarHBondContact O-CG 3.28Å; A440-L444 PolarHBondContact O-N 3.03Å |
| 441 | S | 80.6 | Confident | 81.6 | Confident | 86 Ų | 86 | 97 Ų | 97 | 60% | 0.601 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.4 | -44.6 | 173.7 | -167.2 | 0 | 0 | 0 | 0 | 111.5 | Q437 K438 L444 D445 | Q437-S441 WeakPolarHBondContact O-CB 3.3Å; Q437-S441 PolarHBondContact O-N 2.86Å; K438-S441 WeakPolarHBondContact O-CB 3.49Å; K438-S441 PolarHBondContact O-N 3.34Å; S441-L444 PolarHBondContact O-N 3.3Å; S441-D445 PolarHBondContact O-N 3.05Å; S441-D445 VanDerWaalsContact O-N 3.15Å |
| 442 | I | 78.3 | Confident | 81.5 | Confident | 62 Ų | 62 | 94.4 Ų | 94.4 | 32% | 0.318 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68 | -37.1 | 176.6 | -66.8 | 165.5 | 0 | 0 | 0 | 111.1 | K438 N439 A440 D445 F448 | K438-I442 HydrophobicContact CG-CD1 3.95Å; K438-I442 VanDerWaalsContact O-CG1 3.32Å; K438-I442 WeakPolarHBondContact O-CG1 3.47Å; K438-I442 PolarHBondContact O-N 3.44Å; N439-I442 PolarHBondContact O-N 2.83Å; A440-I442 VanDerWaalsContact C-N 3.34Å; A440-I442 PolarHBondContact O-N 2.92Å; I442-D445 VanDerWaalsContact O-CB 3.32Å; I442-D445 WeakPolarHBondContact O-CB 3.3Å; I442-D445 PolarHBondContact O-N 3.4Å; I442-F448 HydrophobicContact CG2-CB 4.3Å; I442-F448 HydrophobicContact CG2-CD1 3.48Å; I442-F448 VanDerWaalsContact CG2-CD1 3.48Å; I442-F448 HydrophobicContact CG2-CD2 3.78Å; I442-F448 HydrophobicContact CG2-CE1 3.57Å; I442-F448 HydrophobicContact CG2-CE2 3.88Å; I442-F448 HydrophobicContact CG2-CG 3.58Å; I442-F448 HydrophobicContact CG2-CZ 3.77Å; I442-F448 VanDerWaalsContact O-CB 3.27Å; I442-F448 WeakPolarHBondContact O-CB 3.43Å; I442-F448 WeakPolarHBondContact O-CD1 3.49Å |
| 443 | M | 72.1 | Confident | 81.5 | Confident | 88 Ų | 88 | 94.7 Ų | 94.7 | 43% | 0.433 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -78.7 | -18.6 | 177.9 | -74.4 | -100.6 | 55.3 | 0 | 0 | 114 | N439 A440 F448 R449 L452 | N439-M443 VanDerWaalsContact O-CB 3.23Å; N439-M443 WeakPolarHBondContact O-CB 3.28Å; N439-M443 WeakPolarHBondContact O-CG 3.27Å; N439-M443 PolarHBondContact O-N 2.97Å; A440-M443 CarbonylContact O-C 3.6Å; A440-M443 PolarHBondContact O-N 3.33Å; M443-F448 HydrophobicContact CE-CD1 4.13Å; M443-F448 HydrophobicContact CE-CE1 4.26Å; M443-R449 HydrophobicContact CE-CG 4.25Å; M443-R449 WeakPolarHBondContact O-CD 3.46Å; M443-R449 VanDerWaalsContact O-CG 3.24Å; M443-R449 WeakPolarHBondContact O-CG 3.45Å; M443-R449 PolarHBondContact O-NE 3.46Å; M443-R449 VanDerWaalsContact O-NE 3.08Å; M443-L452 HydrophobicContact CE-CD1 3.44Å; M443-L452 VanDerWaalsContact CE-CD1 3.44Å; M443-L452 HydrophobicContact SD-CD1 4.45Å |
| 444 | L | 77.1 | Confident | 81.4 | Confident | 115 Ų | 115 | 94.1 Ų | 94.1 | 60% | 0.602 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -87.4 | -18.3 | 172.7 | -73.2 | 169.9 | 0 | 0 | 0 | 112.3 | A440 S441 P446 R449 | A440-L444 VanDerWaalsContact O-CB 3.23Å; A440-L444 WeakPolarHBondContact O-CB 3.46Å; A440-L444 WeakPolarHBondContact O-CG 3.28Å; A440-L444 PolarHBondContact O-N 3.03Å; S441-L444 PolarHBondContact O-N 3.3Å; L444-P446 WeakPolarHBondContact O-CD 3.34Å; L444-R449 PolarHBondContact O-NH2 3.05Å |
| 445 | D | 82.5 | Confident | 81.1 | Confident | 72 Ų | 72 | 94.4 Ų | 94.4 | 39% | 0.385 | 49% | 0.485 | S | S | . | . | trans | -57 | 123.6 | 170 | -167.6 | -33.6 | 0 | 0 | 0 | 110.8 | S441 I442 W447 F448 R449 | S441-D445 PolarHBondContact O-N 3.05Å; S441-D445 VanDerWaalsContact O-N 3.15Å; I442-D445 VanDerWaalsContact O-CB 3.32Å; I442-D445 WeakPolarHBondContact O-CB 3.3Å; I442-D445 PolarHBondContact O-N 3.4Å; D445-W447 VanDerWaalsContact C-N 3.32Å; D445-W447 PolarHBondContact O-N 2.95Å; D445-W447 WeakPolarHBondContact OD1-CB 3.33Å; D445-W447 PolarHBondContact OD1-N 2.89Å; D445-F448 HydrophobicContact CB-CB 4.07Å; D445-R449 WeakPolarHBondContact O-CG 3.49Å; D445-R449 PolarHBondContact O-N 3.06Å | ||
| 446 | P | 80.4 | Confident | 81.3 | Confident | 96 Ų | 96 | 94.6 Ų | 94.6 | 62% | 0.623 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -59.7 | -38.9 | 174.8 | -23.5 | 34.8 | 0 | 0 | 0 | 113.2 | L444 R449 L450 | L444-P446 WeakPolarHBondContact O-CD 3.34Å; P446-R449 PolarHBondContact O-N 3.06Å; P446-L450 WeakPolarHBondContact O-CB 3.28Å; P446-L450 PolarHBondContact O-N 3.06Å |
| 447 | W | 77.3 | Confident | 81.2 | Confident | 180 Ų | 180 | 94.1 Ų | 94.1 | 68% | 0.682 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -67.3 | -42.1 | -178.1 | -95.2 | 112.6 | 0 | 0 | 0 | 111.9 | D445 R449 L450 M451 | D445-W447 VanDerWaalsContact C-N 3.32Å; D445-W447 PolarHBondContact O-N 2.95Å; D445-W447 WeakPolarHBondContact OD1-CB 3.33Å; D445-W447 PolarHBondContact OD1-N 2.89Å; W447-R449 VanDerWaalsContact C-N 3.33Å; W447-R449 PolarHBondContact O-N 2.88Å; W447-L450 HydrophobicContact CE3-CD2 4.11Å; W447-L450 HydrophobicContact CZ3-CD2 3.99Å; W447-L450 PolarHBondContact O-N 3.47Å; W447-M451 WeakPolarHBondContact O-CB 3.4Å; W447-M451 WeakPolarHBondContact O-CG 3.28Å; W447-M451 PolarHBondContact O-N 3.36Å |
| 448 | F | 80.8 | Confident | 81.1 | Confident | 88 Ų | 88 | 93.2 Ų | 93.2 | 39% | 0.386 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -69.2 | -33.3 | 177.2 | -167.9 | -100.4 | 0 | 0 | 0 | 112.1 | I442 M443 D445 L452 | I442-F448 HydrophobicContact CG2-CB 4.3Å; I442-F448 HydrophobicContact CG2-CD1 3.48Å; I442-F448 VanDerWaalsContact CG2-CD1 3.48Å; I442-F448 HydrophobicContact CG2-CD2 3.78Å; I442-F448 HydrophobicContact CG2-CE1 3.57Å; I442-F448 HydrophobicContact CG2-CE2 3.88Å; I442-F448 HydrophobicContact CG2-CG 3.58Å; I442-F448 HydrophobicContact CG2-CZ 3.77Å; I442-F448 VanDerWaalsContact O-CB 3.27Å; I442-F448 WeakPolarHBondContact O-CB 3.43Å; I442-F448 WeakPolarHBondContact O-CD1 3.49Å; M443-F448 HydrophobicContact CE-CD1 4.13Å; M443-F448 HydrophobicContact CE-CE1 4.26Å; D445-F448 HydrophobicContact CB-CB 4.07Å; F448-L452 HydrophobicContact CD1-CD1 3.8Å; F448-L452 HydrophobicContact CD1-CG 4.33Å; F448-L452 HydrophobicContact CE1-CD1 3.51Å; F448-L452 HydrophobicContact CE1-CG 4.09Å; F448-L452 HydrophobicContact CZ-CD1 4.31Å; F448-L452 WeakPolarHBondContact O-CB 3.5Å; F448-L452 WeakPolarHBondContact O-CG 3.48Å; F448-L452 PolarHBondContact O-N 3.27Å |
| 449 | R | 83.6 | Confident | 80.9 | Confident | 125 Ų | 125 | 94.4 Ų | 94.4 | 47% | 0.472 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67 | -42.4 | 171.4 | -75.1 | -169.8 | -89.5 | -179.6 | -7.2 | 112.3 | M443 L444 D445 P446 W447 L452 A453 | M443-R449 HydrophobicContact CE-CG 4.25Å; M443-R449 WeakPolarHBondContact O-CD 3.46Å; M443-R449 VanDerWaalsContact O-CG 3.24Å; M443-R449 WeakPolarHBondContact O-CG 3.45Å; M443-R449 PolarHBondContact O-NE 3.46Å; M443-R449 VanDerWaalsContact O-NE 3.08Å; L444-R449 PolarHBondContact O-NH2 3.05Å; D445-R449 WeakPolarHBondContact O-CG 3.49Å; D445-R449 PolarHBondContact O-N 3.06Å; P446-R449 PolarHBondContact O-N 3.06Å; W447-R449 VanDerWaalsContact C-N 3.33Å; W447-R449 PolarHBondContact O-N 2.88Å; R449-L452 PolarHBondContact O-N 3.04Å; R449-A453 PolarHBondContact O-N 3.49Å; R449-A453 VanDerWaalsContact O-N 3.09Å |
| 450 | L | 84.9 | Confident | 80.8 | Confident | 79 Ų | 79 | 93.1 Ų | 93.1 | 41% | 0.414 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.8 | -47.7 | 174.2 | -179.5 | 60.3 | 0 | 0 | 0 | 110.9 | P446 W447 L452 A453 L454 | P446-L450 WeakPolarHBondContact O-CB 3.28Å; P446-L450 PolarHBondContact O-N 3.06Å; W447-L450 HydrophobicContact CE3-CD2 4.11Å; W447-L450 HydrophobicContact CZ3-CD2 3.99Å; W447-L450 PolarHBondContact O-N 3.47Å; L450-L452 VanDerWaalsContact C-N 3.32Å; L450-L452 PolarHBondContact O-N 2.96Å; L450-A453 CarbonylContact O-C 3.55Å; L450-A453 PolarHBondContact O-N 3.11Å; L450-L454 HydrophobicContact CD1-CD1 3.9Å; L450-L454 HydrophobicContact CD1-CG 3.98Å; L450-L454 HydrophobicContact CD2-CD1 4.43Å; L450-L454 HydrophobicContact CG-CD1 3.79Å; L450-L454 HydrophobicContact CG-CG 4.27Å; L450-L454 WeakPolarHBondContact O-CB 3.4Å; L450-L454 WeakPolarHBondContact O-CG 3.28Å; L450-L454 PolarHBondContact O-N 2.66Å |
| 451 | M | 83.6 | Confident | 80.9 | Confident | 99 Ų | 99 | 96.3 Ų | 96.3 | 49% | 0.488 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.4 | -36.6 | 175.8 | -77.7 | -63.1 | -70 | 0 | 0 | 113.1 | W447 A453 K455 | W447-M451 WeakPolarHBondContact O-CB 3.4Å; W447-M451 WeakPolarHBondContact O-CG 3.28Å; W447-M451 PolarHBondContact O-N 3.36Å; M451-A453 VanDerWaalsContact C-N 3.34Å; M451-K455 WeakPolarHBondContact O-CB 3.28Å; M451-K455 PolarHBondContact O-N 3.35Å |
| 452 | L | 82.6 | Confident | 80.7 | Confident | 86 Ų | 86 | 99.8 Ų | 99.8 | 45% | 0.45 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -70.3 | -28 | 174.1 | -77.9 | 174.1 | 0 | 0 | 0 | 113.5 | M443 F448 R449 L450 P456 | M443-L452 HydrophobicContact CE-CD1 3.44Å; M443-L452 VanDerWaalsContact CE-CD1 3.44Å; M443-L452 HydrophobicContact SD-CD1 4.45Å; F448-L452 HydrophobicContact CD1-CD1 3.8Å; F448-L452 HydrophobicContact CD1-CG 4.33Å; F448-L452 HydrophobicContact CE1-CD1 3.51Å; F448-L452 HydrophobicContact CE1-CG 4.09Å; F448-L452 HydrophobicContact CZ-CD1 4.31Å; F448-L452 WeakPolarHBondContact O-CB 3.5Å; F448-L452 WeakPolarHBondContact O-CG 3.48Å; F448-L452 PolarHBondContact O-N 3.27Å; R449-L452 PolarHBondContact O-N 3.04Å; L450-L452 VanDerWaalsContact C-N 3.32Å; L450-L452 PolarHBondContact O-N 2.96Å; L452-P456 VanDerWaalsContact O-CD 3.23Å; L452-P456 WeakPolarHBondContact O-CD 3.23Å |
| 453 | A | 84.9 | Confident | 80.9 | Confident | 56 Ų | 56 | 100.1 Ų | 100.1 | 46% | 0.463 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -80.1 | -38.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | R449 L450 M451 P456 | R449-A453 PolarHBondContact O-N 3.49Å; R449-A453 VanDerWaalsContact O-N 3.09Å; L450-A453 CarbonylContact O-C 3.55Å; L450-A453 PolarHBondContact O-N 3.11Å; M451-A453 VanDerWaalsContact C-N 3.34Å; A453-P456 VanDerWaalsContact O-CD 3.31Å; A453-P456 WeakPolarHBondContact O-CD 3.36Å; A453-P456 VanDerWaalsContact O-CG 3.3Å; A453-P456 WeakPolarHBondContact O-CG 3.41Å |
| 454 | L | 83.6 | Confident | 81.4 | Confident | 62 Ų | 62 | 100.7 Ų | 100.7 | 33% | 0.325 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -75.4 | -33.7 | 177.8 | -70.7 | 176.4 | 0 | 0 | 0 | 112.9 | L450 L457 I458 | L450-L454 HydrophobicContact CD1-CD1 3.9Å; L450-L454 HydrophobicContact CD1-CG 3.98Å; L450-L454 HydrophobicContact CD2-CD1 4.43Å; L450-L454 HydrophobicContact CG-CD1 3.79Å; L450-L454 HydrophobicContact CG-CG 4.27Å; L450-L454 WeakPolarHBondContact O-CB 3.4Å; L450-L454 WeakPolarHBondContact O-CG 3.28Å; L450-L454 PolarHBondContact O-N 2.66Å; L454-L457 HydrophobicContact CD2-CD1 4.43Å; L454-L457 CarbonylContact O-C 3.54Å; L454-L457 WeakPolarHBondContact O-CA 3.48Å; L454-L457 PolarHBondContact O-N 2.78Å; L454-I458 HydrophobicContact CB-CD1 3.96Å; L454-I458 HydrophobicContact CB-CG1 4.46Å; L454-I458 WeakPolarHBondContact O-CG1 3.4Å; L454-I458 PolarHBondContact O-N 2.9Å |
| 455 | K | 81 | Confident | 81.6 | Confident | 116 Ų | 116 | 100 Ų | 100 | 50% | 0.504 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -57.2 | -35.4 | -177.2 | -172.4 | 161.5 | -170 | 157.3 | 0 | 116 | M451 R459 | M451-K455 WeakPolarHBondContact O-CB 3.28Å; M451-K455 PolarHBondContact O-N 3.35Å; K455-R459 WeakPolarHBondContact O-CD 3.17Å; K455-R459 WeakPolarHBondContact O-CG 3.33Å |
| 456 | P | 85 | Confident | 81.6 | Confident | 72 Ų | 72 | 100.9 Ų | 100.9 | 47% | 0.468 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -71.9 | -40 | 166.8 | 26.5 | -33.6 | 0 | 0 | 0 | 112.5 | L452 A453 R459 T460 | L452-P456 VanDerWaalsContact O-CD 3.23Å; L452-P456 WeakPolarHBondContact O-CD 3.23Å; A453-P456 VanDerWaalsContact O-CD 3.31Å; A453-P456 WeakPolarHBondContact O-CD 3.36Å; A453-P456 VanDerWaalsContact O-CG 3.3Å; A453-P456 WeakPolarHBondContact O-CG 3.41Å; P456-R459 WeakPolarHBondContact O-CB 3.29Å; P456-R459 PolarHBondContact O-N 2.93Å; P456-R459 VanDerWaalsContact O-N 3.12Å; P456-T460 PolarHBondContact O-N 2.86Å |
| 457 | L | 80.1 | Confident | 81.7 | Confident | 104 Ų | 104 | 101.6 Ų | 101.6 | 55% | 0.545 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.2 | -42.7 | -178.5 | -65.9 | 169.6 | 0 | 0 | 0 | 113.1 | L454 R459 T460 H461 | L454-L457 HydrophobicContact CD2-CD1 4.43Å; L454-L457 CarbonylContact O-C 3.54Å; L454-L457 WeakPolarHBondContact O-CA 3.48Å; L454-L457 PolarHBondContact O-N 2.78Å; L457-R459 PolarHBondContact O-N 3.1Å; L457-T460 WeakPolarHBondContact CA-OG1 3.39Å; L457-T460 PolarHBondContact O-N 3.16Å; L457-T460 PolarHBondContact O-OG1 3.04Å; L457-H461 VanDerWaalsContact O-CB 3.29Å; L457-H461 WeakPolarHBondContact O-CB 3.47Å; L457-H461 PolarHBondContact O-N 3.4Å |
| 458 | I | 82.1 | Confident | 82 | Confident | 101 Ų | 101 | 98.5 Ų | 98.5 | 52% | 0.518 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.8 | -30 | 174.1 | -65.3 | 165 | 0 | 0 | 0 | 110.8 | L454 R462 | L454-I458 HydrophobicContact CB-CD1 3.96Å; L454-I458 HydrophobicContact CB-CG1 4.46Å; L454-I458 WeakPolarHBondContact O-CG1 3.4Å; L454-I458 PolarHBondContact O-N 2.9Å; I458-R462 VanDerWaalsContact O-CB 3.3Å; I458-R462 WeakPolarHBondContact O-CB 3.41Å; I458-R462 PolarHBondContact O-N 2.92Å; I458-R462 VanDerWaalsContact O-N 3.11Å |
| 459 | R | 78.7 | Confident | 82.2 | Confident | 167 Ų | 167 | 100.6 Ų | 100.6 | 63% | 0.63 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -76.6 | -42 | 175 | -76 | 173 | 167.7 | -174 | -9.2 | 112.3 | K455 P456 L457 T463 | K455-R459 WeakPolarHBondContact O-CD 3.17Å; K455-R459 WeakPolarHBondContact O-CG 3.33Å; P456-R459 WeakPolarHBondContact O-CB 3.29Å; P456-R459 PolarHBondContact O-N 2.93Å; P456-R459 VanDerWaalsContact O-N 3.12Å; L457-R459 PolarHBondContact O-N 3.1Å; R459-T463 WeakPolarHBondContact O-CG2 3.49Å; R459-T463 PolarHBondContact O-N 2.7Å; R459-T463 PolarHBondContact O-OG1 3.34Å |
| 460 | T | 79.5 | Confident | 82.2 | Confident | 60 Ų | 60 | 99.5 Ų | 99.5 | 37% | 0.368 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.7 | -47.5 | 175.6 | 54 | 0 | 0 | 0 | 0 | 110.2 | P456 L457 R462 T463 E464 | P456-T460 PolarHBondContact O-N 2.86Å; L457-T460 WeakPolarHBondContact CA-OG1 3.39Å; L457-T460 PolarHBondContact O-N 3.16Å; L457-T460 PolarHBondContact O-OG1 3.04Å; T460-R462 PolarHBondContact O-N 3.44Å; T460-T463 WeakPolarHBondContact CA-OG1 3.35Å; T460-T463 CarbonylContact O-C 3.54Å; T460-T463 PolarHBondContact O-N 2.94Å; T460-T463 PolarHBondContact O-OG1 3.01Å; T460-E464 WeakPolarHBondContact O-CB 3.38Å; T460-E464 VanDerWaalsContact O-CG 3.24Å; T460-E464 WeakPolarHBondContact O-CG 3.43Å; T460-E464 PolarHBondContact O-N 3.28Å |
| 461 | H | 79.6 | Confident | 82.2 | Confident | 108 Ų | 108 | 104.4 Ų | 104.4 | 50% | 0.5 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -53.5 | -51.5 | 175.4 | -165.7 | -79.2 | 0 | 0 | 0 | 111.6 | L457 T463 E464 E465 | L457-H461 VanDerWaalsContact O-CB 3.29Å; L457-H461 WeakPolarHBondContact O-CB 3.47Å; L457-H461 PolarHBondContact O-N 3.4Å; H461-T463 VanDerWaalsContact C-N 3.34Å; H461-T463 PolarHBondContact O-N 3Å; H461-E464 CarbonylContact O-C 3.6Å; H461-E464 WeakPolarHBondContact O-CA 3.46Å; H461-E464 WeakPolarHBondContact O-CB 3.47Å; H461-E464 PolarHBondContact O-N 3.07Å; H461-E465 IonicContact CE1-OE1 3.71Å; H461-E465 PolarHBondContact CE1-OE1 3.15Å; H461-E465 VanDerWaalsContact CE1-OE1 3.26Å; H461-E465 IonicContact CE1-OE2 2.69Å; H461-E465 IonicContact CG-OE2 4Å; H461-E465 IonicContact ND1-OE1 2.73Å; H461-E465 PolarHBondContact ND1-OE1 3.33Å; H461-E465 IonicContact ND1-OE2 3.71Å; H461-E465 PolarHBondContact ND1-OE2 2.96Å; H461-E465 WeakPolarHBondContact O-CG 3.43Å; H461-E465 PolarHBondContact O-N 3.23Å |
| 462 | R | 78.1 | Confident | 82.3 | Confident | 160 Ų | 160 | 103.2 Ų | 103.2 | 60% | 0.604 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.8 | -41.2 | 176.8 | -173.9 | 179.4 | 176.5 | 110.8 | 11.1 | 112.9 | I458 T460 E464 E465 E466 | I458-R462 VanDerWaalsContact O-CB 3.3Å; I458-R462 WeakPolarHBondContact O-CB 3.41Å; I458-R462 PolarHBondContact O-N 2.92Å; I458-R462 VanDerWaalsContact O-N 3.11Å; T460-R462 PolarHBondContact O-N 3.44Å; R462-E464 VanDerWaalsContact C-N 3.31Å; R462-E465 WeakPolarHBondContact CA-OE2 3.21Å; R462-E466 WeakPolarHBondContact CG-OE1 3.37Å; R462-E466 IonicContact CZ-OE1 3.86Å; R462-E466 IonicContact NE-OE1 2.9Å; R462-E466 PolarHBondContact NE-OE1 2.81Å; R462-E466 IonicContact NH2-OE1 3.18Å; R462-E466 PolarHBondContact NH2-OE1 2.93Å; R462-E466 WeakPolarHBondContact O-CB 3.38Å; R462-E466 VanDerWaalsContact O-CG 3.26Å; R462-E466 WeakPolarHBondContact O-CG 3.42Å; R462-E466 PolarHBondContact O-N 3.44Å |
| 463 | T | 82.2 | Confident | 82.3 | Confident | 69 Ų | 69 | 101.8 Ų | 101.8 | 42% | 0.423 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -71.7 | -25.7 | 175.1 | 53.1 | 0 | 0 | 0 | 0 | 113.1 | R459 T460 H461 L467 | R459-T463 WeakPolarHBondContact O-CG2 3.49Å; R459-T463 PolarHBondContact O-N 2.7Å; R459-T463 PolarHBondContact O-OG1 3.34Å; T460-T463 WeakPolarHBondContact CA-OG1 3.35Å; T460-T463 CarbonylContact O-C 3.54Å; T460-T463 PolarHBondContact O-N 2.94Å; T460-T463 PolarHBondContact O-OG1 3.01Å; H461-T463 VanDerWaalsContact C-N 3.34Å; H461-T463 PolarHBondContact O-N 3Å; T463-L467 WeakPolarHBondContact O-CB 3.48Å; T463-L467 WeakPolarHBondContact O-CD1 3.42Å; T463-L467 WeakPolarHBondContact O-CG 3.25Å; T463-L467 PolarHBondContact O-N 3.11Å |
| 464 | E | 82.7 | Confident | 82.3 | Confident | 100 Ų | 100 | 103.6 Ų | 103.6 | 47% | 0.467 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -74.6 | -40.1 | 174.8 | -75.3 | 154.3 | -170.1 | 0 | 0 | 110.3 | T460 H461 R462 L467 L468 | T460-E464 WeakPolarHBondContact O-CB 3.38Å; T460-E464 VanDerWaalsContact O-CG 3.24Å; T460-E464 WeakPolarHBondContact O-CG 3.43Å; T460-E464 PolarHBondContact O-N 3.28Å; H461-E464 CarbonylContact O-C 3.6Å; H461-E464 WeakPolarHBondContact O-CA 3.46Å; H461-E464 WeakPolarHBondContact O-CB 3.47Å; H461-E464 PolarHBondContact O-N 3.07Å; R462-E464 VanDerWaalsContact C-N 3.31Å; E464-L467 CarbonylContact O-C 3.52Å; E464-L467 PolarHBondContact O-N 3.02Å; E464-L468 VanDerWaalsContact O-CB 3.3Å; E464-L468 WeakPolarHBondContact O-CB 3.45Å; E464-L468 WeakPolarHBondContact O-CG 3.31Å; E464-L468 PolarHBondContact O-N 3.33Å |
| 465 | E | 81.4 | Confident | 82.3 | Confident | 101 Ų | 101 | 104 Ų | 104 | 47% | 0.472 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.3 | -49.3 | 169.7 | -69.6 | 166.7 | 123.1 | 0 | 0 | 111.6 | H461 R462 L467 L468 F469 | H461-E465 IonicContact CE1-OE1 3.71Å; H461-E465 PolarHBondContact CE1-OE1 3.15Å; H461-E465 VanDerWaalsContact CE1-OE1 3.26Å; H461-E465 IonicContact CE1-OE2 2.69Å; H461-E465 IonicContact CG-OE2 4Å; H461-E465 IonicContact ND1-OE1 2.73Å; H461-E465 PolarHBondContact ND1-OE1 3.33Å; H461-E465 IonicContact ND1-OE2 3.71Å; H461-E465 PolarHBondContact ND1-OE2 2.96Å; H461-E465 WeakPolarHBondContact O-CG 3.43Å; H461-E465 PolarHBondContact O-N 3.23Å; R462-E465 WeakPolarHBondContact CA-OE2 3.21Å; E465-L467 VanDerWaalsContact C-N 3.28Å; E465-L467 PolarHBondContact O-N 3.4Å; E465-L468 PolarHBondContact O-N 2.93Å; E465-F469 WeakPolarHBondContact O-CB 3.36Å; E465-F469 PolarHBondContact O-N 2.7Å |
| 466 | E | 81.5 | Confident | 82.4 | Confident | 90 Ų | 90 | 104.8 Ų | 104.8 | 42% | 0.421 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.2 | -36.8 | 175 | -72.3 | 170.1 | -170.3 | 0 | 0 | 111.2 | R462 L470 | R462-E466 WeakPolarHBondContact CG-OE1 3.37Å; R462-E466 IonicContact CZ-OE1 3.86Å; R462-E466 IonicContact NE-OE1 2.9Å; R462-E466 PolarHBondContact NE-OE1 2.81Å; R462-E466 IonicContact NH2-OE1 3.18Å; R462-E466 PolarHBondContact NH2-OE1 2.93Å; R462-E466 WeakPolarHBondContact O-CB 3.38Å; R462-E466 VanDerWaalsContact O-CG 3.26Å; R462-E466 WeakPolarHBondContact O-CG 3.42Å; R462-E466 PolarHBondContact O-N 3.44Å; E466-L470 WeakPolarHBondContact O-CB 3.39Å; E466-L470 WeakPolarHBondContact O-CD1 3.35Å; E466-L470 WeakPolarHBondContact O-CG 3.28Å; E466-L470 PolarHBondContact O-N 3.31Å; E466-L470 VanDerWaalsContact O-N 3.08Å |
| 467 | L | 81.6 | Confident | 82.4 | Confident | 111 Ų | 111 | 106.9 Ų | 106.9 | 58% | 0.581 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -74.1 | -34.9 | 174 | -78.8 | 169.3 | 0 | 0 | 0 | 113.8 | T463 E464 E465 R471 | T463-L467 WeakPolarHBondContact O-CB 3.48Å; T463-L467 WeakPolarHBondContact O-CD1 3.42Å; T463-L467 WeakPolarHBondContact O-CG 3.25Å; T463-L467 PolarHBondContact O-N 3.11Å; E464-L467 CarbonylContact O-C 3.52Å; E464-L467 PolarHBondContact O-N 3.02Å; E465-L467 VanDerWaalsContact C-N 3.28Å; E465-L467 PolarHBondContact O-N 3.4Å; L467-R471 WeakPolarHBondContact O-CB 3.34Å; L467-R471 PolarHBondContact O-N 3.07Å |
| 468 | L | 84 | Confident | 82.6 | Confident | 114 Ų | 114 | 106.3 Ų | 106.3 | 60% | 0.597 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -67.9 | -43.5 | 176.3 | -78.9 | 166.5 | 0 | 0 | 0 | 110.6 | E464 E465 R471 S472 | E464-L468 VanDerWaalsContact O-CB 3.3Å; E464-L468 WeakPolarHBondContact O-CB 3.45Å; E464-L468 WeakPolarHBondContact O-CG 3.31Å; E464-L468 PolarHBondContact O-N 3.33Å; E465-L468 PolarHBondContact O-N 2.93Å; L468-R471 PolarHBondContact O-N 2.97Å; L468-S472 PolarHBondContact O-N 2.99Å; L468-S472 PolarHBondContact O-OG 3.13Å |
| 469 | F | 84.6 | Confident | 82.7 | Confident | 132 Ų | 132 | 103.5 Ų | 103.5 | 58% | 0.579 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -59.7 | -49.6 | 171.7 | -179 | -90.7 | 0 | 0 | 0 | 111.6 | E465 R471 S472 E473 | E465-F469 WeakPolarHBondContact O-CB 3.36Å; E465-F469 PolarHBondContact O-N 2.7Å; F469-R471 PolarHBondContact O-N 3.41Å; F469-S472 PolarHBondContact O-N 3.08Å; F469-S472 PolarHBondContact O-OG 3.02Å; F469-E473 WeakPolarHBondContact O-CB 3.45Å; F469-E473 PolarHBondContact O-N 3.1Å |
| 470 | L | 85.3 | Confident | 83.1 | Confident | 103 Ų | 103 | 99.1 Ų | 99.1 | 54% | 0.539 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.7 | -31.3 | 176.1 | -74.1 | 169.1 | 0 | 0 | 0 | 112.5 | E466 L474 | E466-L470 WeakPolarHBondContact O-CB 3.39Å; E466-L470 WeakPolarHBondContact O-CD1 3.35Å; E466-L470 WeakPolarHBondContact O-CG 3.28Å; E466-L470 PolarHBondContact O-N 3.31Å; E466-L470 VanDerWaalsContact O-N 3.08Å; L470-L474 WeakPolarHBondContact O-CB 3.43Å; L470-L474 PolarHBondContact O-N 3.07Å |
| 471 | R | 85 | Confident | 83.4 | Confident | 182 Ų | 182 | 99.6 Ų | 99.6 | 69% | 0.687 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -74.3 | -41.1 | 177.6 | -177.3 | 174.8 | 179.2 | 167.5 | -2.2 | 112.3 | L467 L468 F469 L474 E475 | L467-R471 WeakPolarHBondContact O-CB 3.34Å; L467-R471 PolarHBondContact O-N 3.07Å; L468-R471 PolarHBondContact O-N 2.97Å; F469-R471 PolarHBondContact O-N 3.41Å; R471-L474 PolarHBondContact O-N 2.79Å; R471-E475 PolarHBondContact O-N 3.02Å |
| 472 | S | 84.6 | Confident | 83.6 | Confident | 74 Ų | 74 | 100.6 Ų | 100.6 | 52% | 0.517 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.8 | -43.4 | 176.6 | 65.8 | 0 | 0 | 0 | 0 | 111.1 | L468 F469 L474 E475 R476 | L468-S472 PolarHBondContact O-N 2.99Å; L468-S472 PolarHBondContact O-OG 3.13Å; F469-S472 PolarHBondContact O-N 3.08Å; F469-S472 PolarHBondContact O-OG 3.02Å; S472-L474 PolarHBondContact O-N 2.89Å; S472-E475 PolarHBondContact O-N 3.42Å; S472-R476 PolarHBondContact O-N 3.27Å |
| 473 | E | 82.8 | Confident | 83.9 | Confident | 55 Ų | 55 | 98 Ų | 98 | 26% | 0.257 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 172.2 | 175.1 | 124.9 | -112.6 | 0 | 0 | 111.8 | F469 E475 R476 Y477 | F469-E473 WeakPolarHBondContact O-CB 3.45Å; F469-E473 PolarHBondContact O-N 3.1Å; E473-E475 VanDerWaalsContact C-N 3.33Å; E473-E475 PolarHBondContact O-N 2.94Å; E473-R476 WeakPolarHBondContact O-CB 3.45Å; E473-R476 PolarHBondContact O-N 3.12Å; E473-R476 IonicContact OE1-CZ 2.85Å; E473-R476 IonicContact OE1-NE 2.74Å; E473-R476 IonicContact OE1-NH2 3.59Å; E473-R476 PolarHBondContact OE1-NH2 3.34Å; E473-Y477 HydrophobicContact CG-CD2 3.71Å; E473-Y477 HydrophobicContact CG-CE2 3.32Å; E473-Y477 WeakPolarHBondContact O-CD2 3.36Å; E473-Y477 PolarHBondContact O-N 3.09Å; E473-Y477 WeakPolarHBondContact OE1-CE2 3.49Å; E473-Y477 PolarHBondContact OE1-OH 3.47Å |
| 474 | L | 84.3 | Confident | 84 | Confident | 94 Ų | 94 | 98.9 Ų | 98.9 | 49% | 0.492 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.8 | -33.4 | 176.4 | -174.8 | 151.3 | 0 | 0 | 0 | 112.5 | L470 R471 S472 K478 | L470-L474 WeakPolarHBondContact O-CB 3.43Å; L470-L474 PolarHBondContact O-N 3.07Å; R471-L474 PolarHBondContact O-N 2.79Å; S472-L474 PolarHBondContact O-N 2.89Å; L474-K478 HydrophobicContact CD2-CD 3.84Å; L474-K478 VanDerWaalsContact CD2-CE 3.4Å; L474-K478 HydrophobicContact CD2-CG 4.29Å; L474-K478 WeakPolarHBondContact O-CG 3.25Å; L474-K478 PolarHBondContact O-N 3.21Å |
| 475 | E | 83.5 | Confident | 84.1 | Confident | 70 Ų | 70 | 103 Ų | 103 | 33% | 0.327 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -73.7 | -35 | 173.4 | -156.7 | 61.2 | -131.1 | 0 | 0 | 112.2 | R471 S472 E473 K478 A479 R482 | R471-E475 PolarHBondContact O-N 3.02Å; S472-E475 PolarHBondContact O-N 3.42Å; E473-E475 VanDerWaalsContact C-N 3.33Å; E473-E475 PolarHBondContact O-N 2.94Å; E475-K478 VanDerWaalsContact CD-CD 3.42Å; E475-K478 WeakPolarHBondContact O-CB 3.19Å; E475-K478 PolarHBondContact O-N 3.13Å; E475-K478 VanDerWaalsContact OE1-CD 3.31Å; E475-K478 WeakPolarHBondContact OE1-CD 3.47Å; E475-K478 WeakPolarHBondContact OE2-CD 3.44Å; E475-K478 WeakPolarHBondContact OE2-CE 3.41Å; E475-K478 IonicContact OE2-NZ 2.84Å; E475-K478 PolarHBondContact OE2-NZ 3.41Å; E475-A479 WeakPolarHBondContact O-CB 3.49Å; E475-A479 PolarHBondContact O-N 3.31Å; E475-R482 IonicContact OE1-CZ 2.65Å; E475-R482 IonicContact OE1-NH1 3.22Å; E475-R482 PolarHBondContact OE1-NH1 3Å; E475-R482 IonicContact OE1-NH2 3.34Å; E475-R482 PolarHBondContact OE1-NH2 3.43Å |
| 476 | R | 84.8 | Confident | 84.2 | Confident | 134 Ų | 134 | 105.7 Ų | 105.7 | 51% | 0.506 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.5 | -46.6 | 168 | -171.6 | -178.3 | 73.7 | 86.3 | -4.3 | 111.3 | S472 E473 A479 L480 | S472-R476 PolarHBondContact O-N 3.27Å; E473-R476 WeakPolarHBondContact O-CB 3.45Å; E473-R476 PolarHBondContact O-N 3.12Å; E473-R476 IonicContact OE1-CZ 2.85Å; E473-R476 IonicContact OE1-NE 2.74Å; E473-R476 IonicContact OE1-NH2 3.59Å; E473-R476 PolarHBondContact OE1-NH2 3.34Å; R476-A479 PolarHBondContact O-N 3.39Å; R476-L480 PolarHBondContact O-N 2.91Å |
| 477 | Y | 83.4 | Confident | 84.3 | Confident | 115 Ų | 115 | 105.5 Ų | 105.5 | 45% | 0.451 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.4 | -36.5 | 175.1 | -73.3 | -56 | 0 | 0 | 0 | 112.9 | E473 L480 V481 | E473-Y477 HydrophobicContact CG-CD2 3.71Å; E473-Y477 HydrophobicContact CG-CE2 3.32Å; E473-Y477 WeakPolarHBondContact O-CD2 3.36Å; E473-Y477 PolarHBondContact O-N 3.09Å; E473-Y477 WeakPolarHBondContact OE1-CE2 3.49Å; E473-Y477 PolarHBondContact OE1-OH 3.47Å; Y477-L480 PolarHBondContact O-N 3.49Å; Y477-V481 WeakPolarHBondContact O-CB 3.22Å; Y477-V481 VanDerWaalsContact O-CG2 3.29Å; Y477-V481 WeakPolarHBondContact O-CG2 3.4Å; Y477-V481 PolarHBondContact O-N 2.93Å |
| 478 | K | 85.3 | Confident | 84.5 | Confident | 92 Ų | 92 | 104.3 Ų | 104.3 | 40% | 0.4 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61 | -44.7 | 170.8 | -80.3 | 164.7 | 171.5 | 162.8 | 0 | 111.6 | L474 E475 V481 R482 | L474-K478 HydrophobicContact CD2-CD 3.84Å; L474-K478 VanDerWaalsContact CD2-CE 3.4Å; L474-K478 HydrophobicContact CD2-CG 4.29Å; L474-K478 WeakPolarHBondContact O-CG 3.25Å; L474-K478 PolarHBondContact O-N 3.21Å; E475-K478 VanDerWaalsContact CD-CD 3.42Å; E475-K478 WeakPolarHBondContact O-CB 3.19Å; E475-K478 PolarHBondContact O-N 3.13Å; E475-K478 VanDerWaalsContact OE1-CD 3.31Å; E475-K478 WeakPolarHBondContact OE1-CD 3.47Å; E475-K478 WeakPolarHBondContact OE2-CD 3.44Å; E475-K478 WeakPolarHBondContact OE2-CE 3.41Å; E475-K478 IonicContact OE2-NZ 2.84Å; E475-K478 PolarHBondContact OE2-NZ 3.41Å; K478-V481 CarbonylContact O-C 3.59Å; K478-V481 PolarHBondContact O-N 2.9Å; K478-R482 WeakPolarHBondContact O-CG 3.32Å; K478-R482 PolarHBondContact O-N 3.04Å |
| 479 | A | 84.8 | Confident | 84.5 | Confident | 43 Ų | 43 | 101.5 Ų | 101.5 | 36% | 0.355 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61 | -45.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | E475 R476 V481 R482 M483 | E475-A479 WeakPolarHBondContact O-CB 3.49Å; E475-A479 PolarHBondContact O-N 3.31Å; R476-A479 PolarHBondContact O-N 3.39Å; A479-V481 VanDerWaalsContact C-N 3.34Å; A479-V481 PolarHBondContact O-N 2.88Å; A479-R482 WeakPolarHBondContact O-CB 3.39Å; A479-R482 PolarHBondContact O-N 3.02Å; A479-M483 PolarHBondContact O-N 2.8Å |
| 480 | L | 86.2 | Confident | 84.5 | Confident | 74 Ų | 74 | 100 Ų | 100 | 39% | 0.387 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.2 | -41.1 | 173.2 | -175.3 | 61.9 | 0 | 0 | 0 | 112.2 | R476 Y477 M483 L484 | R476-L480 PolarHBondContact O-N 2.91Å; Y477-L480 PolarHBondContact O-N 3.49Å; L480-M483 WeakPolarHBondContact O-CB 3.22Å; L480-M483 PolarHBondContact O-N 3.26Å; L480-L484 HydrophobicContact CD1-CD1 4.32Å; L480-L484 HydrophobicContact CD1-CG 4.39Å; L480-L484 HydrophobicContact CG-CD1 4.01Å; L480-L484 WeakPolarHBondContact O-CB 3.4Å; L480-L484 VanDerWaalsContact O-CG 3.3Å; L480-L484 WeakPolarHBondContact O-CG 3.26Å; L480-L484 PolarHBondContact O-N 3.32Å |
| 481 | V | 85.3 | Confident | 84.3 | Confident | 70 Ų | 70 | 101.8 Ų | 101.8 | 42% | 0.424 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69.4 | -30.7 | 175.6 | 169.2 | 0 | 0 | 0 | 0 | 112.7 | Y477 K478 A479 R485 | Y477-V481 WeakPolarHBondContact O-CB 3.22Å; Y477-V481 VanDerWaalsContact O-CG2 3.29Å; Y477-V481 WeakPolarHBondContact O-CG2 3.4Å; Y477-V481 PolarHBondContact O-N 2.93Å; K478-V481 CarbonylContact O-C 3.59Å; K478-V481 PolarHBondContact O-N 2.9Å; A479-V481 VanDerWaalsContact C-N 3.34Å; A479-V481 PolarHBondContact O-N 2.88Å; V481-R485 WeakPolarHBondContact O-CB 3.42Å; V481-R485 WeakPolarHBondContact O-CD 3.36Å; V481-R485 WeakPolarHBondContact O-CG 3.24Å; V481-R485 PolarHBondContact O-N 3Å; V481-R485 VanDerWaalsContact O-N 3.12Å |
| 482 | R | 83.8 | Confident | 84.4 | Confident | 129 Ų | 129 | 99 Ų | 99 | 49% | 0.487 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.2 | -49.6 | 169.4 | -68.9 | 175.2 | -163.2 | 123.3 | 8.6 | 110.1 | E475 K478 A479 R485 F486 | E475-R482 IonicContact OE1-CZ 2.65Å; E475-R482 IonicContact OE1-NH1 3.22Å; E475-R482 PolarHBondContact OE1-NH1 3Å; E475-R482 IonicContact OE1-NH2 3.34Å; E475-R482 PolarHBondContact OE1-NH2 3.43Å; K478-R482 WeakPolarHBondContact O-CG 3.32Å; K478-R482 PolarHBondContact O-N 3.04Å; A479-R482 WeakPolarHBondContact O-CB 3.39Å; A479-R482 PolarHBondContact O-N 3.02Å; R482-R485 WeakPolarHBondContact O-CB 3.49Å; R482-R485 PolarHBondContact O-N 3.34Å; R482-R485 VanDerWaalsContact O-N 3.12Å; R482-F486 VanDerWaalsContact O-CD2 3.26Å; R482-F486 WeakPolarHBondContact O-CD2 3.39Å; R482-F486 PolarHBondContact O-N 3.49Å |
| 483 | M | 84.6 | Confident | 84.3 | Confident | 107 Ų | 107 | 97.8 Ų | 97.8 | 53% | 0.527 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -56.6 | -54.2 | 178.7 | -171.1 | -169.8 | -59.5 | 0 | 0 | 111.4 | A479 L480 R485 F486 E487 | A479-M483 PolarHBondContact O-N 2.8Å; L480-M483 WeakPolarHBondContact O-CB 3.22Å; L480-M483 PolarHBondContact O-N 3.26Å; M483-R485 PolarHBondContact O-N 2.94Å; M483-F486 PolarHBondContact O-N 2.65Å; M483-E487 PolarHBondContact O-N 3.07Å |
| 484 | L | 84.6 | Confident | 84.3 | Confident | 86 Ų | 86 | 101 Ų | 101 | 45% | 0.45 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.8 | -27 | 176.6 | -69.9 | 169.6 | 0 | 0 | 0 | 113.2 | L480 N488 | L480-L484 HydrophobicContact CD1-CD1 4.32Å; L480-L484 HydrophobicContact CD1-CG 4.39Å; L480-L484 HydrophobicContact CG-CD1 4.01Å; L480-L484 WeakPolarHBondContact O-CB 3.4Å; L480-L484 VanDerWaalsContact O-CG 3.3Å; L480-L484 WeakPolarHBondContact O-CG 3.26Å; L480-L484 PolarHBondContact O-N 3.32Å; L484-N488 WeakPolarHBondContact O-CB 3.4Å; L484-N488 PolarHBondContact O-N 2.62Å |
| 485 | R | 84.6 | Confident | 84.2 | Confident | 186 Ų | 186 | 100.6 Ų | 100.6 | 70% | 0.702 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -75.7 | -37.7 | 172.3 | -78.9 | 172.9 | -178.5 | -168.8 | 2.3 | 112.5 | V481 R482 M483 A489 | V481-R485 WeakPolarHBondContact O-CB 3.42Å; V481-R485 WeakPolarHBondContact O-CD 3.36Å; V481-R485 WeakPolarHBondContact O-CG 3.24Å; V481-R485 PolarHBondContact O-N 3Å; V481-R485 VanDerWaalsContact O-N 3.12Å; R482-R485 WeakPolarHBondContact O-CB 3.49Å; R482-R485 PolarHBondContact O-N 3.34Å; R482-R485 VanDerWaalsContact O-N 3.12Å; M483-R485 PolarHBondContact O-N 2.94Å; R485-A489 VanDerWaalsContact O-CB 3.3Å; R485-A489 WeakPolarHBondContact O-CB 3.4Å; R485-A489 PolarHBondContact O-N 3.41Å |
| 486 | F | 83.7 | Confident | 84.2 | Confident | 159 Ų | 159 | 100 Ų | 100 | 70% | 0.697 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65.3 | -47.1 | 172.4 | -80.6 | -68.4 | 0 | 0 | 0 | 111.1 | R482 M483 N488 A489 E490 | R482-F486 VanDerWaalsContact O-CD2 3.26Å; R482-F486 WeakPolarHBondContact O-CD2 3.39Å; R482-F486 PolarHBondContact O-N 3.49Å; M483-F486 PolarHBondContact O-N 2.65Å; F486-N488 PolarHBondContact O-N 3.09Å; F486-A489 PolarHBondContact O-N 3.31Å; F486-E490 PolarHBondContact O-N 3.44Å |
| 487 | E | 83.9 | Confident | 84 | Confident | 85 Ų | 85 | 98.6 Ų | 98.6 | 40% | 0.397 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -57.9 | -47.4 | 173.9 | -69.6 | -178.1 | 167.8 | 0 | 0 | 111.7 | M483 A489 E490 Y491 | M483-E487 PolarHBondContact O-N 3.07Å; E487-A489 VanDerWaalsContact C-N 3.34Å; E487-A489 PolarHBondContact O-N 2.76Å; E487-E490 CarbonylContact O-C 3.6Å; E487-E490 PolarHBondContact O-N 3.03Å; E487-E490 VanDerWaalsContact O-N 3.11Å; E487-Y491 HydrophobicContact CB-CD2 4.4Å; E487-Y491 HydrophobicContact CB-CE2 4.33Å; E487-Y491 WeakPolarHBondContact O-CD2 3.49Å; E487-Y491 PolarHBondContact O-N 2.99Å |
| 488 | N | 84.7 | Confident | 84 | Confident | 87 Ų | 87 | 98.1 Ų | 98.1 | 47% | 0.465 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.3 | -36.2 | 179.1 | -165.8 | -25.5 | 0 | 0 | 0 | 111.9 | L484 F486 Y491 Q492 | L484-N488 WeakPolarHBondContact O-CB 3.4Å; L484-N488 PolarHBondContact O-N 2.62Å; F486-N488 PolarHBondContact O-N 3.09Å; N488-Y491 PolarHBondContact O-N 3.37Å; N488-Q492 WeakPolarHBondContact O-CB 3.37Å; N488-Q492 VanDerWaalsContact O-CG 3.23Å; N488-Q492 WeakPolarHBondContact O-CG 3.39Å; N488-Q492 PolarHBondContact O-N 2.87Å; N488-Q492 PolarHBondContact OD1-NE2 3.4Å |
| 489 | A | 85.6 | Confident | 83.8 | Confident | 54 Ų | 54 | 97.7 Ų | 97.7 | 45% | 0.446 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.7 | -38.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | R485 F486 E487 Q492 A493 | R485-A489 VanDerWaalsContact O-CB 3.3Å; R485-A489 WeakPolarHBondContact O-CB 3.4Å; R485-A489 PolarHBondContact O-N 3.41Å; F486-A489 PolarHBondContact O-N 3.31Å; E487-A489 VanDerWaalsContact C-N 3.34Å; E487-A489 PolarHBondContact O-N 2.76Å; A489-Q492 PolarHBondContact O-N 3.03Å; A489-A493 WeakPolarHBondContact O-CB 3.4Å; A489-A493 PolarHBondContact O-N 3.34Å |
| 490 | E | 82.8 | Confident | 83.5 | Confident | 100 Ų | 100 | 100.8 Ų | 100.8 | 47% | 0.467 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.6 | -42.7 | 175.6 | -147.4 | -142.6 | 142.9 | 0 | 0 | 111.8 | F486 E487 Q492 A493 R494 | F486-E490 PolarHBondContact O-N 3.44Å; E487-E490 CarbonylContact O-C 3.6Å; E487-E490 PolarHBondContact O-N 3.03Å; E487-E490 VanDerWaalsContact O-N 3.11Å; E490-Q492 VanDerWaalsContact C-N 3.32Å; E490-Q492 PolarHBondContact O-N 3.39Å; E490-A493 PolarHBondContact O-N 3.35Å; E490-R494 WeakPolarHBondContact O-CB 3.45Å; E490-R494 VanDerWaalsContact O-CG 3.27Å; E490-R494 WeakPolarHBondContact O-CG 3.49Å; E490-R494 PolarHBondContact O-N 3.33Å; E490-R494 IonicContact OE1-CZ 2.87Å; E490-R494 IonicContact OE1-NE 2.7Å; E490-R494 PolarHBondContact OE1-NE 2.79Å; E490-R494 IonicContact OE1-NH2 2.72Å; E490-R494 PolarHBondContact OE1-NH2 3.09Å; E490-R494 IonicContact OE2-CZ 3.41Å; E490-R494 IonicContact OE2-NE 2.86Å; E490-R494 IonicContact OE2-NH2 2.7Å; E490-R494 PolarHBondContact OE2-NH2 3.32Å; E490-R494 VanDerWaalsContact OE2-NH2 3.08Å |
| 491 | Y | 83 | Confident | 83.1 | Confident | 141 Ų | 141 | 101.6 Ų | 101.6 | 55% | 0.553 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.2 | -40.6 | 171.4 | -77.4 | -63.3 | 0 | 0 | 0 | 111.6 | E487 N488 R494 V495 | E487-Y491 HydrophobicContact CB-CD2 4.4Å; E487-Y491 HydrophobicContact CB-CE2 4.33Å; E487-Y491 WeakPolarHBondContact O-CD2 3.49Å; E487-Y491 PolarHBondContact O-N 2.99Å; N488-Y491 PolarHBondContact O-N 3.37Å; Y491-R494 PolarHBondContact O-N 2.96Å; Y491-V495 WeakPolarHBondContact O-CB 3.46Å; Y491-V495 VanDerWaalsContact O-CG2 3.27Å; Y491-V495 WeakPolarHBondContact O-CG2 3.11Å; Y491-V495 PolarHBondContact O-N 3.38Å |
| 492 | Q | 85.6 | Confident | 82.4 | Confident | 123 Ų | 123 | 100.2 Ų | 100.2 | 58% | 0.575 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.4 | -40.1 | 173.6 | -75.7 | 172.7 | 44.6 | 0 | 0 | 112.1 | N488 A489 E490 V495 A496 | N488-Q492 WeakPolarHBondContact O-CB 3.37Å; N488-Q492 VanDerWaalsContact O-CG 3.23Å; N488-Q492 WeakPolarHBondContact O-CG 3.39Å; N488-Q492 PolarHBondContact O-N 2.87Å; N488-Q492 PolarHBondContact OD1-NE2 3.4Å; A489-Q492 PolarHBondContact O-N 3.03Å; E490-Q492 VanDerWaalsContact C-N 3.32Å; E490-Q492 PolarHBondContact O-N 3.39Å; Q492-V495 PolarHBondContact O-N 3.36Å; Q492-A496 VanDerWaalsContact O-CB 3.31Å; Q492-A496 WeakPolarHBondContact O-CB 3.39Å; Q492-A496 PolarHBondContact O-N 2.96Å |
| 493 | A | 83.2 | Confident | 82 | Confident | 50 Ų | 50 | 100.4 Ų | 100.4 | 41% | 0.413 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.9 | -42.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A489 E490 V495 A496 N497 | A489-A493 WeakPolarHBondContact O-CB 3.4Å; A489-A493 PolarHBondContact O-N 3.34Å; E490-A493 PolarHBondContact O-N 3.35Å; A493-V495 PolarHBondContact O-N 3.3Å; A493-A496 PolarHBondContact O-N 3.43Å; A493-N497 WeakPolarHBondContact O-CB 3.47Å; A493-N497 VanDerWaalsContact O-CG 3.28Å; A493-N497 PolarHBondContact O-N 2.93Å; A493-N497 PolarHBondContact O-ND2 3.07Å |
| 494 | R | 83.4 | Confident | 81.4 | Confident | 123 Ų | 123 | 100.4 Ų | 100.4 | 46% | 0.464 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.9 | -43.8 | 173 | -70.3 | 172.2 | -177 | -164.2 | 9.3 | 111.3 | E490 Y491 L498 | E490-R494 WeakPolarHBondContact O-CB 3.45Å; E490-R494 VanDerWaalsContact O-CG 3.27Å; E490-R494 WeakPolarHBondContact O-CG 3.49Å; E490-R494 PolarHBondContact O-N 3.33Å; E490-R494 IonicContact OE1-CZ 2.87Å; E490-R494 IonicContact OE1-NE 2.7Å; E490-R494 PolarHBondContact OE1-NE 2.79Å; E490-R494 IonicContact OE1-NH2 2.72Å; E490-R494 PolarHBondContact OE1-NH2 3.09Å; E490-R494 IonicContact OE2-CZ 3.41Å; E490-R494 IonicContact OE2-NE 2.86Å; E490-R494 IonicContact OE2-NH2 2.7Å; E490-R494 PolarHBondContact OE2-NH2 3.32Å; E490-R494 VanDerWaalsContact OE2-NH2 3.08Å; Y491-R494 PolarHBondContact O-N 2.96Å; R494-L498 VanDerWaalsContact O-CG 3.31Å; R494-L498 WeakPolarHBondContact O-CG 3.45Å; R494-L498 PolarHBondContact O-N 3.02Å |
| 495 | V | 81.2 | Confident | 80.2 | Confident | 85 Ų | 85 | 100.7 Ų | 100.7 | 52% | 0.515 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.3 | -43.1 | 175.5 | 167.8 | 0 | 0 | 0 | 0 | 111.6 | Y491 Q492 A493 N497 L498 V499 | Y491-V495 WeakPolarHBondContact O-CB 3.46Å; Y491-V495 VanDerWaalsContact O-CG2 3.27Å; Y491-V495 WeakPolarHBondContact O-CG2 3.11Å; Y491-V495 PolarHBondContact O-N 3.38Å; Q492-V495 PolarHBondContact O-N 3.36Å; A493-V495 PolarHBondContact O-N 3.3Å; V495-N497 PolarHBondContact O-N 3.45Å; V495-L498 PolarHBondContact O-N 3.31Å; V495-V499 HydrophobicContact CG1-CG2 4.29Å; V495-V499 WeakPolarHBondContact O-CG2 3.29Å; V495-V499 PolarHBondContact O-N 2.84Å |
| 496 | A | 83 | Confident | 78.9 | Confident | 57 Ų | 57 | 95.7 Ų | 95.7 | 47% | 0.471 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61 | -43.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q492 A493 V499 Q500 | Q492-A496 VanDerWaalsContact O-CB 3.31Å; Q492-A496 WeakPolarHBondContact O-CB 3.39Å; Q492-A496 PolarHBondContact O-N 2.96Å; A493-A496 PolarHBondContact O-N 3.43Å; A496-V499 PolarHBondContact O-N 2.93Å; A496-Q500 WeakPolarHBondContact O-CB 3.3Å; A496-Q500 PolarHBondContact O-N 2.89Å |
| 497 | N | 82.2 | Confident | 77.8 | Confident | 105 Ų | 105 | 93 Ų | 93 | 56% | 0.561 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.6 | -42.7 | 173.7 | -72.2 | -18.4 | 0 | 0 | 0 | 111.9 | A493 V495 Q500 L501 | A493-N497 WeakPolarHBondContact O-CB 3.47Å; A493-N497 VanDerWaalsContact O-CG 3.28Å; A493-N497 PolarHBondContact O-N 2.93Å; A493-N497 PolarHBondContact O-ND2 3.07Å; V495-N497 PolarHBondContact O-N 3.45Å; N497-Q500 PolarHBondContact O-N 2.82Å; N497-L501 WeakPolarHBondContact O-CB 3.39Å; N497-L501 PolarHBondContact O-N 3.27Å |
| 498 | L | 82.4 | Confident | 76.3 | Confident | 105 Ų | 105 | 94.3 Ų | 94.3 | 55% | 0.55 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.1 | -37.4 | 175.9 | -73 | 169.6 | 0 | 0 | 0 | 112.7 | R494 V495 L501 L502 | R494-L498 VanDerWaalsContact O-CG 3.31Å; R494-L498 WeakPolarHBondContact O-CG 3.45Å; R494-L498 PolarHBondContact O-N 3.02Å; V495-L498 PolarHBondContact O-N 3.31Å; L498-L501 PolarHBondContact O-N 3.27Å; L498-L502 WeakPolarHBondContact O-CB 3.47Å; L498-L502 WeakPolarHBondContact O-CG 3.29Å; L498-L502 PolarHBondContact O-N 3.37Å |
| 499 | V | 80.4 | Confident | 74.7 | Confident | 83 Ų | 83 | 96.6 Ų | 96.6 | 50% | 0.503 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67 | -42.5 | 174.3 | 169.5 | 0 | 0 | 0 | 0 | 110.8 | V495 A496 L501 L502 E503 | V495-V499 HydrophobicContact CG1-CG2 4.29Å; V495-V499 WeakPolarHBondContact O-CG2 3.29Å; V495-V499 PolarHBondContact O-N 2.84Å; A496-V499 PolarHBondContact O-N 2.93Å; V499-L501 VanDerWaalsContact C-N 3.34Å; V499-L501 PolarHBondContact O-N 3.48Å; V499-L502 CarbonylContact O-C 3.52Å; V499-L502 WeakPolarHBondContact O-CB 3.33Å; V499-L502 PolarHBondContact O-N 2.88Å; V499-E503 PolarHBondContact O-N 3.4Å |
| 500 | Q | 79.3 | Confident | 73.3 | Confident | 108 Ų | 108 | 99.2 Ų | 99.2 | 51% | 0.505 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.1 | -37.9 | 175.4 | -168.9 | 177.3 | 45 | 0 | 0 | 111.8 | A496 N497 E503 Q504 | A496-Q500 WeakPolarHBondContact O-CB 3.3Å; A496-Q500 PolarHBondContact O-N 2.89Å; N497-Q500 PolarHBondContact O-N 2.82Å; Q500-E503 PolarHBondContact O-N 3.48Å; Q500-Q504 WeakPolarHBondContact O-CG 3.47Å; Q500-Q504 PolarHBondContact O-N 3.01Å |
| 501 | L | 78.4 | Confident | 72.1 | Confident | 90 Ų | 90 | 99.1 Ų | 99.1 | 47% | 0.471 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66 | -39.9 | 173.8 | -153 | 80.6 | 0 | 0 | 0 | 111.6 | N497 L498 V499 Q504 M505 | N497-L501 WeakPolarHBondContact O-CB 3.39Å; N497-L501 PolarHBondContact O-N 3.27Å; L498-L501 PolarHBondContact O-N 3.27Å; V499-L501 VanDerWaalsContact C-N 3.34Å; V499-L501 PolarHBondContact O-N 3.48Å; L501-Q504 PolarHBondContact O-N 2.92Å; L501-M505 HydrophobicContact CB-CE 4.49Å; L501-M505 HydrophobicContact CD2-CE 4.16Å; L501-M505 HydrophobicContact CG-CE 4.16Å; L501-M505 WeakPolarHBondContact O-CB 3.33Å; L501-M505 WeakPolarHBondContact O-CE 3.27Å; L501-M505 WeakPolarHBondContact O-CG 3.41Å; L501-M505 PolarHBondContact O-N 3.48Å |
| 502 | L | 70.3 | Confident | 70.8 | Confident | 41 Ų | 41 | 95.5 Ų | 95.5 | 22% | 0.215 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -63.9 | -37.9 | 172.3 | -82.2 | 165.3 | 0 | 0 | 0 | 112.3 | L498 V499 M505 S506 V515 I522 | L498-L502 WeakPolarHBondContact O-CB 3.47Å; L498-L502 WeakPolarHBondContact O-CG 3.29Å; L498-L502 PolarHBondContact O-N 3.37Å; V499-L502 CarbonylContact O-C 3.52Å; V499-L502 WeakPolarHBondContact O-CB 3.33Å; V499-L502 PolarHBondContact O-N 2.88Å; L502-M505 HydrophobicContact CD2-CE 4.26Å; L502-M505 HydrophobicContact CG-CE 4.49Å; L502-M505 PolarHBondContact O-N 3.11Å; L502-S506 VanDerWaalsContact O-CB 3.22Å; L502-S506 WeakPolarHBondContact O-CB 3.42Å; L502-S506 PolarHBondContact O-N 2.82Å; L502-V515 HydrophobicContact CD2-CG1 4.37Å; L502-I522 HydrophobicContact CD1-CD1 4.28Å |
| 503 | E | 74.9 | Confident | 70 | Confident | 134 Ų | 134 | 94 Ų | 94 | 63% | 0.626 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.9 | -44.6 | 175.8 | -171.1 | 168.2 | -144.6 | 0 | 0 | 111.4 | V499 Q500 M505 S506 T507 | V499-E503 PolarHBondContact O-N 3.4Å; Q500-E503 PolarHBondContact O-N 3.48Å; E503-M505 PolarHBondContact O-N 3.1Å; E503-S506 VanDerWaalsContact O-CB 3.32Å; E503-S506 WeakPolarHBondContact O-CB 3.26Å; E503-S506 PolarHBondContact O-N 3.42Å; E503-S506 VanDerWaalsContact O-N 3.12Å; E503-T507 PolarHBondContact O-N 3.05Å; E503-T507 VanDerWaalsContact O-N 3.08Å |
| 504 | Q | 72.5 | Confident | 69.4 | Low | 106 Ų | 106 | 95.2 Ų | 95.2 | 50% | 0.495 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -58.8 | -44.5 | 171.9 | -71.8 | 174.8 | 5.5 | 0 | 0 | 112 | Q500 L501 S506 T507 N508 | Q500-Q504 WeakPolarHBondContact O-CG 3.47Å; Q500-Q504 PolarHBondContact O-N 3.01Å; L501-Q504 PolarHBondContact O-N 2.92Å; Q504-S506 VanDerWaalsContact C-N 3.35Å; Q504-T507 PolarHBondContact O-N 3.4Å; Q504-T507 PolarHBondContact O-OG1 3.43Å; Q504-N508 PolarHBondContact O-ND2 3.28Å; Q504-N508 VanDerWaalsContact O-ND2 3.07Å |
| 505 | M | 59.7 | Low | 68.6 | Low | 92 Ų | 92 | 90.8 Ų | 90.8 | 45% | 0.453 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.5 | -33.8 | 173.8 | -72.7 | -173.1 | -72.4 | 0 | 0 | 112.8 | L501 L502 E503 T507 N508 | L501-M505 HydrophobicContact CB-CE 4.49Å; L501-M505 HydrophobicContact CD2-CE 4.16Å; L501-M505 HydrophobicContact CG-CE 4.16Å; L501-M505 WeakPolarHBondContact O-CB 3.33Å; L501-M505 WeakPolarHBondContact O-CE 3.27Å; L501-M505 WeakPolarHBondContact O-CG 3.41Å; L501-M505 PolarHBondContact O-N 3.48Å; L502-M505 HydrophobicContact CD2-CE 4.26Å; L502-M505 HydrophobicContact CG-CE 4.49Å; L502-M505 PolarHBondContact O-N 3.11Å; E503-M505 PolarHBondContact O-N 3.1Å; M505-T507 VanDerWaalsContact C-N 3.32Å; M505-T507 PolarHBondContact O-N 2.78Å; M505-N508 WeakPolarHBondContact O-CB 3.37Å; M505-N508 PolarHBondContact O-N 3.37Å |
| 506 | S | 57.9 | Low | 68.3 | Low | 81 Ų | 81 | 93.6 Ų | 93.6 | 57% | 0.566 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.8 | -36.3 | 176.3 | -174.3 | 0 | 0 | 0 | 0 | 112.3 | L502 E503 Q504 N508 | L502-S506 VanDerWaalsContact O-CB 3.22Å; L502-S506 WeakPolarHBondContact O-CB 3.42Å; L502-S506 PolarHBondContact O-N 2.82Å; E503-S506 VanDerWaalsContact O-CB 3.32Å; E503-S506 WeakPolarHBondContact O-CB 3.26Å; E503-S506 PolarHBondContact O-N 3.42Å; E503-S506 VanDerWaalsContact O-N 3.12Å; Q504-S506 VanDerWaalsContact C-N 3.35Å; S506-N508 PolarHBondContact O-N 3.27Å |
| 507 | T | 59.9 | Low | 68.1 | Low | 103 Ų | 103 | 93.8 Ų | 93.8 | 63% | 0.632 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -15.8 | 173.4 | 66.7 | 0 | 0 | 0 | 0 | 113.9 | E503 Q504 M505 V509 | E503-T507 PolarHBondContact O-N 3.05Å; E503-T507 VanDerWaalsContact O-N 3.08Å; Q504-T507 PolarHBondContact O-N 3.4Å; Q504-T507 PolarHBondContact O-OG1 3.43Å; M505-T507 VanDerWaalsContact C-N 3.32Å; M505-T507 PolarHBondContact O-N 2.78Å; T507-V509 PolarHBondContact O-N 2.97Å |
| 508 | N | 53.2 | Low | 67.8 | Low | 113 Ų | 113 | 92.9 Ų | 92.9 | 60% | 0.604 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -93.1 | 89.3 | 175 | -71.9 | -72.9 | 0 | 0 | 0 | 110.3 | Q504 M505 S506 S510 | Q504-N508 PolarHBondContact O-ND2 3.28Å; Q504-N508 VanDerWaalsContact O-ND2 3.07Å; M505-N508 WeakPolarHBondContact O-CB 3.37Å; M505-N508 PolarHBondContact O-N 3.37Å; S506-N508 PolarHBondContact O-N 3.27Å; N508-S510 PolarHBondContact O-N 2.96Å |
| 509 | V | 50.6 | Low | 67.6 | Low | 134 Ų | 134 | 91.5 Ų | 91.5 | 81% | 0.812 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -54.6 | -8.1 | -165.9 | -177 | 0 | 0 | 0 | 0 | 116.3 | T507 N511 | T507-V509 PolarHBondContact O-N 2.97Å; V509-N511 PolarHBondContact O-N 3.37Å |
| 510 | S | 56.3 | Low | 67.7 | Low | 110 Ų | 110 | 93.5 Ų | 93.5 | 77% | 0.769 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -69.5 | -30.8 | -173.7 | -51.3 | 0 | 0 | 0 | 0 | 115.8 | N508 | N508-S510 PolarHBondContact O-N 2.96Š|
| 511 | N | 56 | Low | 67.9 | Low | 98 Ų | 98 | 94 Ų | 94 | 52% | 0.524 | 53% | 0.53 | S | S | . | . | G | 310 helix | trans | -119 | 20.4 | -158.5 | -70.8 | -8.9 | 0 | 0 | 0 | 115.1 | V509 S513 T514 V515 | V509-N511 PolarHBondContact O-N 3.37Å; N511-S513 VanDerWaalsContact C-N 3.28Å; N511-S513 PolarHBondContact O-N 3.01Å; N511-T514 PolarHBondContact O-N 3.14Å; N511-T514 PolarHBondContact O-OG1 3.02Å; N511-V515 PolarHBondContact O-N 2.96Å |
| 512 | A | 56.1 | Low | 67.8 | Low | 65 Ų | 65 | 93.6 Ų | 93.6 | 54% | 0.537 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -53 | -34.9 | -167.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q516 | A512-Q516 WeakPolarHBondContact O-CG 3.32Å; A512-Q516 PolarHBondContact O-N 2.93Å |
| 513 | S | 69.1 | Low | 68.4 | Low | 90 Ų | 90 | 95 Ų | 95 | 63% | 0.629 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -70 | -36.8 | 179 | 54.3 | 0 | 0 | 0 | 0 | 113.6 | N511 S517 | N511-S513 VanDerWaalsContact C-N 3.28Å; N511-S513 PolarHBondContact O-N 3.01Å; S513-S517 PolarHBondContact O-N 3.17Å |
| 514 | T | 71.4 | Confident | 68.9 | Low | 77 Ų | 77 | 93.4 Ų | 93.4 | 47% | 0.472 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -73 | -35.9 | 176.2 | 62.8 | 0 | 0 | 0 | 0 | 110.8 | N511 S517 L518 | N511-T514 PolarHBondContact O-N 3.14Å; N511-T514 PolarHBondContact O-OG1 3.02Å; T514-S517 PolarHBondContact O-N 2.99Å; T514-L518 WeakPolarHBondContact O-CG 3.41Å; T514-L518 PolarHBondContact O-N 3.3Å |
| 515 | V | 66.3 | Low | 69.4 | Low | 30 Ų | 30 | 91.1 Ų | 91.1 | 18% | 0.182 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -63.6 | -45.4 | 173.2 | -179.8 | 0 | 0 | 0 | 0 | 110.6 | L502 N511 S517 L518 V519 | L502-V515 HydrophobicContact CD2-CG1 4.37Å; N511-V515 PolarHBondContact O-N 2.96Å; V515-S517 VanDerWaalsContact C-N 3.34Å; V515-S517 PolarHBondContact O-N 2.84Å; V515-L518 PolarHBondContact O-N 3.43Å; V515-V519 HydrophobicContact CG1-CG2 4.41Å; V515-V519 WeakPolarHBondContact O-CB 3.24Å; V515-V519 WeakPolarHBondContact O-CG2 3.48Å; V515-V519 PolarHBondContact O-N 3.39Å |
| 516 | Q | 74.7 | Confident | 70.4 | Confident | 144 Ų | 144 | 92.2 Ų | 92.2 | 67% | 0.673 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60 | -40.7 | 173.5 | -79.2 | -175.9 | -21.5 | 0 | 0 | 112.7 | A512 V519 Q520 | A512-Q516 WeakPolarHBondContact O-CG 3.32Å; A512-Q516 PolarHBondContact O-N 2.93Å; Q516-V519 PolarHBondContact O-N 3Å; Q516-Q520 WeakPolarHBondContact O-CB 3.27Å; Q516-Q520 PolarHBondContact O-N 3.37Å |
| 517 | S | 78.1 | Confident | 71.6 | Confident | 60 Ų | 60 | 90.9 Ų | 90.9 | 42% | 0.42 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.8 | -42 | 176.5 | -169.3 | 0 | 0 | 0 | 0 | 112.5 | S513 T514 V515 Q520 Q521 | S513-S517 PolarHBondContact O-N 3.17Å; T514-S517 PolarHBondContact O-N 2.99Å; V515-S517 VanDerWaalsContact C-N 3.34Å; V515-S517 PolarHBondContact O-N 2.84Å; S517-Q520 PolarHBondContact O-N 2.95Å; S517-Q521 WeakPolarHBondContact O-CG 3.39Å; S517-Q521 PolarHBondContact O-N 3.34Å; S517-Q521 PolarHBondContact OG-NE2 3.41Å |
| 518 | L | 76.3 | Confident | 72.8 | Confident | 87 Ų | 87 | 91.6 Ų | 91.6 | 46% | 0.455 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.9 | -41.9 | 175.6 | -74.9 | 166.8 | 0 | 0 | 0 | 112.2 | T514 V515 Q520 Q521 I522 | T514-L518 WeakPolarHBondContact O-CG 3.41Å; T514-L518 PolarHBondContact O-N 3.3Å; V515-L518 PolarHBondContact O-N 3.43Å; L518-Q520 VanDerWaalsContact C-N 3.32Å; L518-Q520 PolarHBondContact O-N 2.83Å; L518-Q521 PolarHBondContact O-N 3.48Å; L518-I522 VanDerWaalsContact O-CG1 3.28Å; L518-I522 WeakPolarHBondContact O-CG1 3.42Å; L518-I522 PolarHBondContact O-N 3.15Å |
| 519 | V | 78.6 | Confident | 74.2 | Confident | 76 Ų | 76 | 90.6 Ų | 90.6 | 46% | 0.461 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.8 | -39.9 | 174.4 | 169.7 | 0 | 0 | 0 | 0 | 111.2 | V515 Q516 I522 S523 | V515-V519 HydrophobicContact CG1-CG2 4.41Å; V515-V519 WeakPolarHBondContact O-CB 3.24Å; V515-V519 WeakPolarHBondContact O-CG2 3.48Å; V515-V519 PolarHBondContact O-N 3.39Å; Q516-V519 PolarHBondContact O-N 3Å; V519-I522 PolarHBondContact O-N 2.81Å; V519-S523 WeakPolarHBondContact O-CB 3.41Å; V519-S523 PolarHBondContact O-N 3.48Å |
| 520 | Q | 82.3 | Confident | 75.7 | Confident | 125 Ų | 125 | 90.4 Ų | 90.4 | 58% | 0.584 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.6 | -43.9 | 174.5 | -167.9 | 71.5 | 30.6 | 0 | 0 | 111.7 | Q516 S517 L518 S523 E524 | Q516-Q520 WeakPolarHBondContact O-CB 3.27Å; Q516-Q520 PolarHBondContact O-N 3.37Å; S517-Q520 PolarHBondContact O-N 2.95Å; L518-Q520 VanDerWaalsContact C-N 3.32Å; L518-Q520 PolarHBondContact O-N 2.83Å; Q520-S523 PolarHBondContact O-N 3.49Å; Q520-E524 PolarHBondContact O-N 3.06Å |
| 521 | Q | 82.4 | Confident | 77 | Confident | 117 Ų | 117 | 90.3 Ų | 90.3 | 55% | 0.547 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.9 | -40.5 | 177.3 | -71.7 | 173.3 | 38.2 | 0 | 0 | 112.6 | S517 L518 S523 E524 A525 | S517-Q521 WeakPolarHBondContact O-CG 3.39Å; S517-Q521 PolarHBondContact O-N 3.34Å; S517-Q521 PolarHBondContact OG-NE2 3.41Å; L518-Q521 PolarHBondContact O-N 3.48Å; Q521-S523 VanDerWaalsContact C-N 3.35Å; Q521-E524 PolarHBondContact O-N 3.38Å; Q521-A525 WeakPolarHBondContact O-CB 3.45Å; Q521-A525 PolarHBondContact O-N 2.74Å |
| 522 | I | 78.2 | Confident | 78.3 | Confident | 83 Ų | 83 | 91.4 Ų | 91.4 | 43% | 0.426 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 174.7 | -68.8 | 164.3 | 0 | 0 | 0 | 110.4 | L502 L518 V519 A525 L526 | L502-I522 HydrophobicContact CD1-CD1 4.28Å; L518-I522 VanDerWaalsContact O-CG1 3.28Å; L518-I522 WeakPolarHBondContact O-CG1 3.42Å; L518-I522 PolarHBondContact O-N 3.15Å; V519-I522 PolarHBondContact O-N 2.81Å; I522-A525 PolarHBondContact O-N 2.89Å; I522-L526 HydrophobicContact CG2-CD1 4.03Å; I522-L526 HydrophobicContact CG2-CG 4.5Å; I522-L526 WeakPolarHBondContact O-CB 3.5Å; I522-L526 WeakPolarHBondContact O-CG 3.35Å; I522-L526 PolarHBondContact O-N 3.05Å |
| 523 | S | 82.2 | Confident | 79.3 | Confident | 70 Ų | 70 | 95.8 Ų | 95.8 | 49% | 0.49 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63 | -43.3 | 175.9 | -166.1 | 0 | 0 | 0 | 0 | 112.2 | V519 Q520 Q521 L526 S527 | V519-S523 WeakPolarHBondContact O-CB 3.41Å; V519-S523 PolarHBondContact O-N 3.48Å; Q520-S523 PolarHBondContact O-N 3.49Å; Q521-S523 VanDerWaalsContact C-N 3.35Å; S523-L526 PolarHBondContact O-N 3.4Å; S523-S527 PolarHBondContact O-N 3.32Å |
| 524 | E | 84.6 | Confident | 80 | Confident | 100 Ų | 100 | 97.3 Ų | 97.3 | 47% | 0.467 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62 | -43.2 | 171.7 | -91.8 | -163.1 | -158.5 | 0 | 0 | 112.8 | Q520 Q521 L526 S527 K528 | Q520-E524 PolarHBondContact O-N 3.06Å; Q521-E524 PolarHBondContact O-N 3.38Å; E524-L526 VanDerWaalsContact C-N 3.34Å; E524-L526 PolarHBondContact O-N 2.76Å; E524-S527 PolarHBondContact O-N 3.04Å; E524-K528 WeakPolarHBondContact O-CB 3.27Å; E524-K528 WeakPolarHBondContact O-CD 3.49Å; E524-K528 WeakPolarHBondContact O-CG 3.15Å; E524-K528 PolarHBondContact O-N 3.02Å; E524-K528 IonicContact OE2-NZ 2.9Å; E524-K528 PolarHBondContact OE2-NZ 2.92Å |
| 525 | A | 83.2 | Confident | 80.5 | Confident | 58 Ų | 58 | 97.4 Ų | 97.4 | 48% | 0.479 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.9 | -40.1 | -180 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q521 I522 N529 | Q521-A525 WeakPolarHBondContact O-CB 3.45Å; Q521-A525 PolarHBondContact O-N 2.74Å; I522-A525 PolarHBondContact O-N 2.89Å; A525-N529 WeakPolarHBondContact O-CB 3.34Å; A525-N529 PolarHBondContact O-N 2.79Å |
| 526 | L | 81.2 | Confident | 81.1 | Confident | 115 Ų | 115 | 99 Ų | 99 | 60% | 0.602 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.6 | -42.4 | 173.7 | -71.5 | 170 | 0 | 0 | 0 | 111.9 | I522 S523 E524 N529 Q530 | I522-L526 HydrophobicContact CG2-CD1 4.03Å; I522-L526 HydrophobicContact CG2-CG 4.5Å; I522-L526 WeakPolarHBondContact O-CB 3.5Å; I522-L526 WeakPolarHBondContact O-CG 3.35Å; I522-L526 PolarHBondContact O-N 3.05Å; S523-L526 PolarHBondContact O-N 3.4Å; E524-L526 VanDerWaalsContact C-N 3.34Å; E524-L526 PolarHBondContact O-N 2.76Å; L526-N529 PolarHBondContact O-N 2.79Å; L526-Q530 WeakPolarHBondContact O-CB 3.47Å; L526-Q530 PolarHBondContact O-N 2.93Å |
| 527 | S | 82.8 | Confident | 81.1 | Confident | 53 Ų | 53 | 95.1 Ų | 95.1 | 37% | 0.371 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.9 | -47 | 175.4 | -162.3 | 0 | 0 | 0 | 0 | 111.7 | S523 E524 N529 Q530 E531 | S523-S527 PolarHBondContact O-N 3.32Å; E524-S527 PolarHBondContact O-N 3.04Å; S527-N529 VanDerWaalsContact C-N 3.32Å; S527-N529 PolarHBondContact O-N 2.83Å; S527-Q530 PolarHBondContact O-N 2.91Å; S527-E531 WeakPolarHBondContact O-CG 3.4Å; S527-E531 PolarHBondContact O-N 3.29Å; S527-E531 PolarHBondContact OG-OE1 3.25Å |
| 528 | K | 85.4 | Confident | 81.1 | Confident | 119 Ų | 119 | 94.9 Ų | 94.9 | 52% | 0.517 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63 | -36.5 | 177.9 | -73.1 | 162.2 | 178.2 | 165 | 0 | 112.4 | E524 F532 | E524-K528 WeakPolarHBondContact O-CB 3.27Å; E524-K528 WeakPolarHBondContact O-CD 3.49Å; E524-K528 WeakPolarHBondContact O-CG 3.15Å; E524-K528 PolarHBondContact O-N 3.02Å; E524-K528 IonicContact OE2-NZ 2.9Å; E524-K528 PolarHBondContact OE2-NZ 2.92Å; K528-F532 WeakPolarHBondContact O-CB 3.47Å; K528-F532 PolarHBondContact O-N 3.47Å |
| 529 | N | 82.2 | Confident | 81 | Confident | 92 Ų | 92 | 94.7 Ų | 94.7 | 49% | 0.492 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.8 | -42.9 | 174.1 | -162.4 | -55.9 | 0 | 0 | 0 | 111.1 | A525 L526 S527 E531 F532 W533 | A525-N529 WeakPolarHBondContact O-CB 3.34Å; A525-N529 PolarHBondContact O-N 2.79Å; L526-N529 PolarHBondContact O-N 2.79Å; S527-N529 VanDerWaalsContact C-N 3.32Å; S527-N529 PolarHBondContact O-N 2.83Å; N529-E531 PolarHBondContact O-N 2.84Å; N529-F532 PolarHBondContact O-N 3.47Å; N529-W533 VanDerWaalsContact O-CD1 3.23Å; N529-W533 PolarHBondContact O-N 2.94Å; N529-W533 VanDerWaalsContact O-N 3.09Å; N529-W533 PolarHBondContact OD1-NE1 3.4Å; N529-W533 VanDerWaalsContact OD1-NE1 3.12Å |
| 530 | Q | 82.2 | Confident | 80.4 | Confident | 130 Ų | 130 | 95.4 Ų | 95.4 | 61% | 0.607 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.5 | -35.1 | 175.9 | -168.3 | -178.9 | 4.1 | 0 | 0 | 112.9 | L526 S527 Q534 | L526-Q530 WeakPolarHBondContact O-CB 3.47Å; L526-Q530 PolarHBondContact O-N 2.93Å; S527-Q530 PolarHBondContact O-N 2.91Å; Q530-Q534 WeakPolarHBondContact O-CG 3.49Å; Q530-Q534 PolarHBondContact O-N 3.16Å; Q530-Q534 PolarHBondContact O-NE2 3.06Å |
| 531 | E | 82.8 | Confident | 79.8 | Confident | 107 Ų | 107 | 97.4 Ų | 97.4 | 50% | 0.5 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.2 | -47 | 171.6 | -75.9 | 165.8 | -162.3 | 0 | 0 | 111.1 | S527 N529 W533 Q534 T535 | S527-E531 WeakPolarHBondContact O-CG 3.4Å; S527-E531 PolarHBondContact O-N 3.29Å; S527-E531 PolarHBondContact OG-OE1 3.25Å; N529-E531 PolarHBondContact O-N 2.84Å; E531-W533 PolarHBondContact O-N 3.21Å; E531-Q534 WeakPolarHBondContact O-CB 3.27Å; E531-Q534 PolarHBondContact O-N 2.71Å; E531-T535 PolarHBondContact O-N 3.31Å; E531-T535 PolarHBondContact O-OG1 2.93Å |
| 532 | F | 84.1 | Confident | 78.7 | Confident | 122 Ų | 122 | 93.7 Ų | 93.7 | 54% | 0.535 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -55.1 | -46.9 | 176.7 | 174.6 | -98 | 0 | 0 | 0 | 112.6 | K528 N529 Q534 T535 L536 | K528-F532 WeakPolarHBondContact O-CB 3.47Å; K528-F532 PolarHBondContact O-N 3.47Å; N529-F532 PolarHBondContact O-N 3.47Å; F532-Q534 VanDerWaalsContact C-N 3.33Å; F532-Q534 PolarHBondContact O-N 3.44Å; F532-T535 PolarHBondContact O-N 3.03Å; F532-L536 HydrophobicContact CE1-CD2 4.49Å; F532-L536 WeakPolarHBondContact O-CB 3.33Å; F532-L536 PolarHBondContact O-N 2.97Å |
| 533 | W | 78 | Confident | 77.6 | Confident | 157 Ų | 157 | 96 Ų | 96 | 60% | 0.595 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.5 | -31.5 | 176.2 | -75.2 | 108.6 | 0 | 0 | 0 | 113.4 | N529 E531 L536 A537 | N529-W533 VanDerWaalsContact O-CD1 3.23Å; N529-W533 PolarHBondContact O-N 2.94Å; N529-W533 VanDerWaalsContact O-N 3.09Å; N529-W533 PolarHBondContact OD1-NE1 3.4Å; N529-W533 VanDerWaalsContact OD1-NE1 3.12Å; E531-W533 PolarHBondContact O-N 3.21Å; W533-L536 HydrophobicContact CE3-CD2 3.89Å; W533-L536 HydrophobicContact CZ3-CD2 3.71Å; W533-A537 WeakPolarHBondContact O-CB 3.33Å; W533-A537 PolarHBondContact O-N 3.21Å |
| 534 | Q | 82 | Confident | 76 | Confident | 121 Ų | 121 | 99.4 Ų | 99.4 | 57% | 0.565 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -69.8 | -40.8 | 173 | -78.8 | 176.8 | 76 | 0 | 0 | 112.1 | Q530 E531 F532 A537 A538 | Q530-Q534 WeakPolarHBondContact O-CG 3.49Å; Q530-Q534 PolarHBondContact O-N 3.16Å; Q530-Q534 PolarHBondContact O-NE2 3.06Å; E531-Q534 WeakPolarHBondContact O-CB 3.27Å; E531-Q534 PolarHBondContact O-N 2.71Å; F532-Q534 VanDerWaalsContact C-N 3.33Å; F532-Q534 PolarHBondContact O-N 3.44Å; Q534-A537 PolarHBondContact O-N 2.91Å; Q534-A538 WeakPolarHBondContact O-CB 3.49Å; Q534-A538 PolarHBondContact O-N 3.41Å |
| 535 | T | 82.8 | Confident | 74.2 | Confident | 79 Ų | 79 | 98.4 Ų | 98.4 | 49% | 0.485 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.5 | -49 | 173.8 | -56.8 | 0 | 0 | 0 | 0 | 110.7 | E531 F532 A537 A538 D539 | E531-T535 PolarHBondContact O-N 3.31Å; E531-T535 PolarHBondContact O-OG1 2.93Å; F532-T535 PolarHBondContact O-N 3.03Å; T535-A537 VanDerWaalsContact C-N 3.27Å; T535-A537 PolarHBondContact O-N 3.29Å; T535-A538 CarbonylContact O-C 3.56Å; T535-A538 WeakPolarHBondContact O-CA 3.46Å; T535-A538 WeakPolarHBondContact O-CB 3.42Å; T535-A538 PolarHBondContact O-N 3.42Å; T535-D539 PolarHBondContact O-N 3.04Å |
| 536 | L | 78.8 | Confident | 72.2 | Confident | 65 Ų | 65 | 101.8 Ų | 101.8 | 34% | 0.34 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.3 | -36.6 | 178 | -166 | 75 | 0 | 0 | 0 | 112.4 | F532 W533 N540 | F532-L536 HydrophobicContact CE1-CD2 4.49Å; F532-L536 WeakPolarHBondContact O-CB 3.33Å; F532-L536 PolarHBondContact O-N 2.97Å; W533-L536 HydrophobicContact CE3-CD2 3.89Å; W533-L536 HydrophobicContact CZ3-CD2 3.71Å; L536-N540 WeakPolarHBondContact O-CB 3.29Å; L536-N540 PolarHBondContact O-N 3.4Å; L536-N540 PolarHBondContact O-ND2 2.82Å |
| 537 | A | 75.5 | Confident | 70 | Confident | 62 Ų | 62 | 100.7 Ų | 100.7 | 51% | 0.512 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -72 | -31.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | W533 Q534 T535 K541 | W533-A537 WeakPolarHBondContact O-CB 3.33Å; W533-A537 PolarHBondContact O-N 3.21Å; Q534-A537 PolarHBondContact O-N 2.91Å; T535-A537 VanDerWaalsContact C-N 3.27Å; T535-A537 PolarHBondContact O-N 3.29Å; A537-K541 WeakPolarHBondContact O-CB 3.46Å; A537-K541 PolarHBondContact O-N 3.5Å |
| 538 | A | 77 | Confident | 68 | Low | 54 Ų | 54 | 103.6 Ų | 103.6 | 45% | 0.446 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -71.9 | -42.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q534 T535 K541 A542 | Q534-A538 WeakPolarHBondContact O-CB 3.49Å; Q534-A538 PolarHBondContact O-N 3.41Å; T535-A538 CarbonylContact O-C 3.56Å; T535-A538 WeakPolarHBondContact O-CA 3.46Å; T535-A538 WeakPolarHBondContact O-CB 3.42Å; T535-A538 PolarHBondContact O-N 3.42Å; A538-K541 CarbonylContact O-C 3.59Å; A538-K541 WeakPolarHBondContact O-CA 3.36Å; A538-K541 VanDerWaalsContact O-CB 3.25Å; A538-K541 WeakPolarHBondContact O-CB 3.49Å; A538-K541 PolarHBondContact O-N 2.85Å; A538-A542 PolarHBondContact O-N 3.36Å |
| 539 | D | 75 | Confident | 65.5 | Low | 84 Ų | 84 | 106.8 Ų | 106.8 | 45% | 0.449 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -67.4 | -40.4 | 179 | -69.3 | -22.8 | 0 | 0 | 0 | 111.8 | T535 K541 A542 L543 | T535-D539 PolarHBondContact O-N 3.04Å; D539-K541 PolarHBondContact O-N 2.9Å; D539-A542 PolarHBondContact O-N 3.2Å; D539-A542 VanDerWaalsContact O-N 3.13Å; D539-L543 WeakPolarHBondContact O-CB 3.3Å; D539-L543 WeakPolarHBondContact O-CG 3.33Å; D539-L543 PolarHBondContact O-N 3.27Å |
| 540 | N | 65.1 | Low | 63.1 | Low | 90 Ų | 90 | 109.5 Ų | 109.5 | 48% | 0.481 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -57.6 | -33.5 | 168.7 | -90.8 | -89.1 | 0 | 0 | 0 | 112.1 | L536 N544 | L536-N540 WeakPolarHBondContact O-CB 3.29Å; L536-N540 PolarHBondContact O-N 3.4Å; L536-N540 PolarHBondContact O-ND2 2.82Å; N540-N544 WeakPolarHBondContact O-CB 3.34Å; N540-N544 PolarHBondContact O-N 2.8Å; N540-N544 PolarHBondContact O-ND2 3.47Å |
| 541 | K | 71.2 | Confident | 61 | Low | 167 Ų | 167 | 109.1 Ų | 109.1 | 73% | 0.726 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -78.4 | -30.6 | 177.5 | -143.9 | 170.3 | -170.9 | 173.2 | 0 | 112.6 | A537 A538 D539 A545 | A537-K541 WeakPolarHBondContact O-CB 3.46Å; A537-K541 PolarHBondContact O-N 3.5Å; A538-K541 CarbonylContact O-C 3.59Å; A538-K541 WeakPolarHBondContact O-CA 3.36Å; A538-K541 VanDerWaalsContact O-CB 3.25Å; A538-K541 WeakPolarHBondContact O-CB 3.49Å; A538-K541 PolarHBondContact O-N 2.85Å; D539-K541 PolarHBondContact O-N 2.9Å; K541-A545 WeakPolarHBondContact O-CB 3.43Å; K541-A545 PolarHBondContact O-N 3.36Å |
| 542 | A | 59.3 | Low | 58.5 | Low | 39 Ų | 39 | 107 Ų | 107 | 32% | 0.322 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -73.7 | -44.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A538 D539 N544 A545 L546 | A538-A542 PolarHBondContact O-N 3.36Å; D539-A542 PolarHBondContact O-N 3.2Å; D539-A542 VanDerWaalsContact O-N 3.13Å; A542-N544 PolarHBondContact O-N 2.85Å; A542-A545 CarbonylContact O-C 3.55Å; A542-A545 WeakPolarHBondContact O-CA 3.48Å; A542-A545 PolarHBondContact O-N 2.84Å; A542-L546 HydrophobicContact CB-CD1 4.38Å; A542-L546 WeakPolarHBondContact O-CB 3.41Å; A542-L546 WeakPolarHBondContact O-CG 3.43Å; A542-L546 PolarHBondContact O-N 3.38Å |
| 543 | L | 53.5 | Low | 56 | Low | 131 Ų | 131 | 108.9 Ų | 108.9 | 69% | 0.686 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -58.5 | -45.3 | 174.3 | -75.9 | 164.1 | 0 | 0 | 0 | 111.5 | D539 A545 L546 | D539-L543 WeakPolarHBondContact O-CB 3.3Å; D539-L543 WeakPolarHBondContact O-CG 3.33Å; D539-L543 PolarHBondContact O-N 3.27Å; L543-A545 PolarHBondContact O-N 2.94Å; L543-A545 VanDerWaalsContact O-N 3.14Å; L543-L546 PolarHBondContact O-N 3.4Å |
| 544 | N | 48.8 | Very low | 54 | Low | 143 Ų | 143 | 109.7 Ų | 109.7 | 77% | 0.765 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -8.7 | 172.7 | -82.3 | -77.5 | 0 | 0 | 0 | 114.4 | N540 A542 | N540-N544 WeakPolarHBondContact O-CB 3.34Å; N540-N544 PolarHBondContact O-N 2.8Å; N540-N544 PolarHBondContact O-ND2 3.47Å; A542-N544 PolarHBondContact O-N 2.85Å |
| 545 | A | 47.1 | Very low | 51.7 | Low | 79 Ų | 79 | 110.3 Ų | 110.3 | 65% | 0.653 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.8 | -2.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | K541 A542 L543 | K541-A545 WeakPolarHBondContact O-CB 3.43Å; K541-A545 PolarHBondContact O-N 3.36Å; A542-A545 CarbonylContact O-C 3.55Å; A542-A545 WeakPolarHBondContact O-CA 3.48Å; A542-A545 PolarHBondContact O-N 2.84Å; L543-A545 PolarHBondContact O-N 2.94Å; L543-A545 VanDerWaalsContact O-N 3.14Å |
| 546 | L | 41.4 | Very low | 49.2 | Very low | 128 Ų | 128 | 114.6 Ų | 114.6 | 67% | 0.67 | 66% | 0.656 | S | S | * | * | trans | -118.5 | 15.1 | -170.9 | -79.2 | 167.5 | 0 | 0 | 0 | 114.8 | A542 L543 P548 | A542-L546 HydrophobicContact CB-CD1 4.38Å; A542-L546 WeakPolarHBondContact O-CB 3.41Å; A542-L546 WeakPolarHBondContact O-CG 3.43Å; A542-L546 PolarHBondContact O-N 3.38Å; L543-L546 PolarHBondContact O-N 3.4Å; L546-P548 WeakPolarHBondContact O-CG 3.27Å | ||
| 547 | A | 35.2 | Very low | 47.2 | Very low | 93 Ų | 93 | 117.8 Ų | 117.8 | 77% | 0.769 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 120.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 548 | P | 41.3 | Very low | 45.1 | Very low | 114 Ų | 114 | 122.9 Ų | 122.9 | 74% | 0.74 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 167.6 | -143.1 | -11.9 | 30.7 | 0 | 0 | 0 | 116 | L546 | L546-P548 WeakPolarHBondContact O-CG 3.27Š|
| 549 | Q | 31.5 | Very low | 43.1 | Very low | 186 Ų | 186 | 128.8 Ų | 128.8 | 87% | 0.869 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 149.1 | 162.8 | -65.1 | -161.4 | 23.4 | 0 | 0 | 111.4 | P551 | Q549-P551 WeakPolarHBondContact O-CD 3.35Š|
| 550 | K | 31.9 | Very low | 41.4 | Very low | 149 Ų | 149 | 130.3 Ų | 130.3 | 65% | 0.648 | 72% | 0.722 | S | S | * | * | trans | -82.6 | 114.6 | -170.1 | -164.9 | 176.7 | -161.4 | 168.5 | 0 | 111.1 | E598 | K550-E598 IonicContact NZ-OE1 2.81Å; K550-E598 PolarHBondContact NZ-OE1 3.49Å | ||
| 551 | P | 38.4 | Very low | 40.2 | Very low | 121 Ų | 121 | 131.7 Ų | 131.7 | 79% | 0.786 | 74% | 0.736 | S | S | * | * | trans | -82.1 | 163.3 | 158.9 | 35.7 | -32.2 | 0 | 0 | 0 | 109.8 | Q549 | Q549-P551 WeakPolarHBondContact O-CD 3.35Š| ||
| 552 | G | 30.7 | Very low | 38.5 | Very low | 64 Ų | 64 | 131.2 Ų | 131.2 | 66% | 0.66 | 74% | 0.74 | S | S | * | * | trans | -147.3 | 165.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 553 | N | 32.3 | Very low | 38 | Very low | 160 Ų | 160 | 136.9 Ų | 136.9 | 86% | 0.856 | 77% | 0.765 | S | S | * | * | trans | 67.4 | 114.8 | 172 | -53.3 | -0.8 | 0 | 0 | 0 | 117 | ||||
| 554 | L | 34.9 | Very low | 37.5 | Very low | 174 Ų | 174 | 136.4 Ų | 136.4 | 91% | 0.911 | 77% | 0.77 | S | S | * | * | trans | -147.7 | 156.9 | 133.3 | -141.5 | 72.8 | 0 | 0 | 0 | 111.9 | ||||
| 555 | L | 34.2 | Very low | 37.1 | Very low | 135 Ų | 135 | 131.8 Ų | 131.8 | 71% | 0.707 | 75% | 0.752 | S | S | * | * | trans | -83 | 135.6 | -164.5 | -94.2 | 61.1 | 0 | 0 | 0 | 114.8 | ||||
| 556 | E | 29.5 | Very low | 37.6 | Very low | 168 Ų | 168 | 131.4 Ų | 131.4 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | 40.4 | 110.5 | 112.4 | -172.6 | 179 | -126.9 | 0 | 0 | 118.7 | |||||
| 557 | V | 38.5 | Very low | 38.6 | Very low | 133 Ų | 133 | 130 Ų | 130 | 81% | 0.806 | 74% | 0.743 | S | S | * | * | trans | -141.5 | 116.4 | 151.9 | -179.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 558 | E | 30.1 | Very low | 39.8 | Very low | 168 Ų | 168 | 132.9 Ų | 132.9 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | trans | -99.8 | 130.6 | 176.2 | -179.4 | -169.1 | 173.4 | 0 | 0 | 110.7 | ||||
| 559 | Q | 36.2 | Very low | 41 | Very low | 179 Ų | 179 | 130.2 Ų | 130.2 | 84% | 0.836 | 72% | 0.724 | S | S | * | * | trans | -144.3 | 148 | 165 | -70.7 | -160.7 | 4.1 | 0 | 0 | 113.2 | ||||
| 560 | V | 38.6 | Very low | 42.8 | Very low | 115 Ų | 115 | 127.6 Ų | 127.6 | 70% | 0.697 | 71% | 0.71 | S | S | * | * | trans | -101 | 138.4 | -163.4 | 178.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 561 | P | 40.8 | Very low | 44.6 | Very low | 119 Ų | 119 | 126.3 Ų | 126.3 | 77% | 0.773 | 71% | 0.709 | S | S | * | * | trans | -101.5 | 133 | 167.4 | 35.1 | -28.6 | 0 | 0 | 0 | 113.4 | ||||
| 562 | L | 35.5 | Very low | 46.4 | Very low | 157 Ų | 157 | 126 Ų | 126 | 82% | 0.822 | 70% | 0.696 | S | S | * | * | trans | -139.8 | 97.9 | 171 | -95.2 | 172.8 | 0 | 0 | 0 | 111.4 | ||||
| 563 | N | 46.9 | Very low | 48.4 | Very low | 158 Ų | 158 | 126.9 Ų | 126.9 | 85% | 0.845 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -179 | 155.5 | 146.2 | -101.8 | -41.2 | 0 | 0 | 0 | 111.1 | ||
| 564 | P | 44.2 | Very low | 50.5 | Low | 121 Ų | 121 | 123.2 Ų | 123.2 | 79% | 0.786 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 138 | -174.7 | 28 | -34.2 | 0 | 0 | 0 | 113 | ||
| 565 | A | 40.8 | Very low | 52.6 | Low | 46 Ų | 46 | 117.3 Ų | 117.3 | 38% | 0.38 | 64% | 0.642 | S | S | . | * | P | Polyproline II helix | trans | -72.5 | 133.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | T569 K570 | A565-T569 HydrophobicContact CB-CG2 4.36Å; A565-K570 HydrophobicContact CB-CG 3.84Å |
| 566 | S | 56.2 | Low | 54.6 | Low | 71 Ų | 71 | 114.2 Ų | 114.2 | 50% | 0.497 | 62% | 0.624 | S | S | . | * | P | Polyproline II helix | trans | -70.4 | 156.8 | 158.4 | -176 | 0 | 0 | 0 | 0 | 109.5 | M568 T569 K570 | S566-M568 PolarHBondContact O-N 2.85Å; S566-M568 VanDerWaalsContact O-N 3.15Å; S566-T569 PolarHBondContact N-OG1 3.49Å; S566-T569 WeakPolarHBondContact O-CA 3.48Å; S566-T569 VanDerWaalsContact O-CB 3.28Å; S566-T569 WeakPolarHBondContact O-CB 3.43Å; S566-T569 PolarHBondContact O-N 2.88Å; S566-T569 PolarHBondContact O-OG1 2.78Å; S566-K570 PolarHBondContact O-N 3.44Å |
| 567 | P | 63.4 | Low | 57.2 | Low | 99 Ų | 99 | 112 Ų | 112 | 64% | 0.643 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -55.3 | -35 | -179.5 | -28.8 | 36.7 | 0 | 0 | 0 | 114.2 | T569 K570 L571 | P567-T569 VanDerWaalsContact C-N 3.28Å; P567-T569 PolarHBondContact O-N 3.28Å; P567-K570 PolarHBondContact O-N 2.86Å; P567-L571 PolarHBondContact O-N 3.5Å; P567-L571 VanDerWaalsContact O-N 3.08Å |
| 568 | M | 59.9 | Low | 59.2 | Low | 153 Ų | 153 | 112.8 Ų | 112.8 | 75% | 0.754 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64.2 | -32.6 | 173.3 | -163.8 | 71 | 69.6 | 0 | 0 | 112.6 | S566 K572 | S566-M568 PolarHBondContact O-N 2.85Å; S566-M568 VanDerWaalsContact O-N 3.15Å; M568-K572 WeakPolarHBondContact O-CB 3.31Å; M568-K572 PolarHBondContact O-N 3.3Å; M568-K572 VanDerWaalsContact O-N 3.1Å |
| 569 | T | 66.8 | Low | 61.8 | Low | 59 Ų | 59 | 111.8 Ų | 111.8 | 36% | 0.362 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -75.6 | -34.6 | 176.1 | -36.2 | 0 | 0 | 0 | 0 | 111.2 | A565 S566 P567 K572 N573 | A565-T569 HydrophobicContact CB-CG2 4.36Å; S566-T569 PolarHBondContact N-OG1 3.49Å; S566-T569 WeakPolarHBondContact O-CA 3.48Å; S566-T569 VanDerWaalsContact O-CB 3.28Å; S566-T569 WeakPolarHBondContact O-CB 3.43Å; S566-T569 PolarHBondContact O-N 2.88Å; S566-T569 PolarHBondContact O-OG1 2.78Å; P567-T569 VanDerWaalsContact C-N 3.28Å; P567-T569 PolarHBondContact O-N 3.28Å; T569-K572 PolarHBondContact O-N 2.98Å; T569-N573 WeakPolarHBondContact O-CB 3.37Å; T569-N573 PolarHBondContact O-N 2.96Å; T569-N573 PolarHBondContact O-OD1 3.1Å |
| 570 | K | 68.4 | Low | 64.1 | Low | 130 Ų | 130 | 108 Ų | 108 | 57% | 0.565 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -59.9 | -59.1 | 170 | -71.6 | -163.4 | 172.9 | -166.6 | 0 | 110.6 | A565 S566 P567 K572 N573 D574 | A565-K570 HydrophobicContact CB-CG 3.84Å; S566-K570 PolarHBondContact O-N 3.44Å; P567-K570 PolarHBondContact O-N 2.86Å; K570-K572 PolarHBondContact O-N 2.92Å; K570-N573 CarbonylContact O-C 3.57Å; K570-N573 WeakPolarHBondContact O-CA 3.44Å; K570-N573 WeakPolarHBondContact O-CB 3.36Å; K570-N573 PolarHBondContact O-N 3.33Å; K570-D574 PolarHBondContact O-N 2.87Å |
| 571 | L | 70.9 | Confident | 66.1 | Low | 123 Ų | 123 | 106.9 Ų | 106.9 | 64% | 0.644 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -53 | -35.2 | 177.6 | -100.1 | 131.5 | 0 | 0 | 0 | 113.9 | P567 A575 | P567-L571 PolarHBondContact O-N 3.5Å; P567-L571 VanDerWaalsContact O-N 3.08Å; L571-A575 VanDerWaalsContact O-CB 3.22Å; L571-A575 WeakPolarHBondContact O-CB 3.44Å; L571-A575 PolarHBondContact O-N 2.9Å |
| 572 | K | 76.1 | Confident | 68.2 | Low | 114 Ų | 114 | 104.9 Ų | 104.9 | 50% | 0.496 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.6 | -47.6 | 173.3 | -175.8 | 179.1 | 174.9 | -69.9 | 0 | 112.1 | M568 T569 K570 D574 A575 E576 | M568-K572 WeakPolarHBondContact O-CB 3.31Å; M568-K572 PolarHBondContact O-N 3.3Å; M568-K572 VanDerWaalsContact O-N 3.1Å; T569-K572 PolarHBondContact O-N 2.98Å; K570-K572 PolarHBondContact O-N 2.92Å; K572-D574 VanDerWaalsContact C-N 3.32Å; K572-D574 PolarHBondContact O-N 3.35Å; K572-A575 CarbonylContact O-C 3.48Å; K572-A575 PolarHBondContact O-N 3.17Å; K572-E576 WeakPolarHBondContact CE-OE1 3.35Å; K572-E576 IonicContact NZ-OE1 3.36Å; K572-E576 PolarHBondContact NZ-OE1 3.38Å; K572-E576 IonicContact NZ-OE2 2.83Å; K572-E576 PolarHBondContact NZ-OE2 3.18Å; K572-E576 WeakPolarHBondContact O-CB 3.43Å; K572-E576 WeakPolarHBondContact O-CG 3.5Å; K572-E576 PolarHBondContact O-N 3.5Å |
| 573 | N | 72.8 | Confident | 70.5 | Confident | 83 Ų | 83 | 102.9 Ų | 102.9 | 44% | 0.444 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.4 | -37.8 | 177.3 | -67.5 | 10.6 | 0 | 0 | 0 | 111.6 | T569 K570 E576 F577 | T569-N573 WeakPolarHBondContact O-CB 3.37Å; T569-N573 PolarHBondContact O-N 2.96Å; T569-N573 PolarHBondContact O-OD1 3.1Å; K570-N573 CarbonylContact O-C 3.57Å; K570-N573 WeakPolarHBondContact O-CA 3.44Å; K570-N573 WeakPolarHBondContact O-CB 3.36Å; K570-N573 PolarHBondContact O-N 3.33Å; N573-E576 PolarHBondContact O-N 2.89Å; N573-F577 WeakPolarHBondContact O-CB 3.49Å; N573-F577 PolarHBondContact O-N 3.15Å |
| 574 | D | 76.4 | Confident | 72.3 | Confident | 82 Ų | 82 | 100.6 Ų | 100.6 | 44% | 0.439 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.9 | -42.7 | 177.2 | -53.5 | -33.4 | 0 | 0 | 0 | 110.2 | K570 K572 E576 F577 Y578 | K570-D574 PolarHBondContact O-N 2.87Å; K572-D574 VanDerWaalsContact C-N 3.32Å; K572-D574 PolarHBondContact O-N 3.35Å; D574-E576 VanDerWaalsContact C-N 3.25Å; D574-E576 PolarHBondContact O-N 2.88Å; D574-F577 PolarHBondContact O-N 3.31Å; D574-Y578 WeakPolarHBondContact O-CD2 3.5Å; D574-Y578 PolarHBondContact O-N 2.95Å |
| 575 | A | 77.5 | Confident | 74.1 | Confident | 50 Ų | 50 | 99.8 Ų | 99.8 | 41% | 0.413 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -75.2 | -7.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | L571 K572 R579 | L571-A575 VanDerWaalsContact O-CB 3.22Å; L571-A575 WeakPolarHBondContact O-CB 3.44Å; L571-A575 PolarHBondContact O-N 2.9Å; K572-A575 CarbonylContact O-C 3.48Å; K572-A575 PolarHBondContact O-N 3.17Å; A575-R579 PolarHBondContact O-NH2 2.85Å |
| 576 | E | 78 | Confident | 76.2 | Confident | 70 Ų | 70 | 105.7 Ų | 105.7 | 33% | 0.327 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -91.8 | -45.5 | 166.5 | -76.1 | 170.8 | 156.4 | 0 | 0 | 109.4 | K572 N573 D574 Y578 R579 D580 | K572-E576 WeakPolarHBondContact CE-OE1 3.35Å; K572-E576 IonicContact NZ-OE1 3.36Å; K572-E576 PolarHBondContact NZ-OE1 3.38Å; K572-E576 IonicContact NZ-OE2 2.83Å; K572-E576 PolarHBondContact NZ-OE2 3.18Å; K572-E576 WeakPolarHBondContact O-CB 3.43Å; K572-E576 WeakPolarHBondContact O-CG 3.5Å; K572-E576 PolarHBondContact O-N 3.5Å; N573-E576 PolarHBondContact O-N 2.89Å; D574-E576 VanDerWaalsContact C-N 3.25Å; D574-E576 PolarHBondContact O-N 2.88Å; E576-Y578 PolarHBondContact O-N 2.88Å; E576-R579 CarbonylContact O-C 3.48Å; E576-R579 WeakPolarHBondContact O-CA 3.38Å; E576-R579 VanDerWaalsContact O-CB 3.29Å; E576-R579 WeakPolarHBondContact O-CB 3.44Å; E576-R579 PolarHBondContact O-N 3.43Å; E576-D580 PolarHBondContact O-N 2.93Å |
| 577 | F | 82.9 | Confident | 77.5 | Confident | 122 Ų | 122 | 108.7 Ų | 108.7 | 54% | 0.535 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -53.1 | -47 | 172 | 175.4 | -94.8 | 0 | 0 | 0 | 113.5 | N573 D574 R579 D580 Q581 | N573-F577 WeakPolarHBondContact O-CB 3.49Å; N573-F577 PolarHBondContact O-N 3.15Å; D574-F577 PolarHBondContact O-N 3.31Å; F577-R579 VanDerWaalsContact C-N 3.29Å; F577-R579 PolarHBondContact O-N 2.92Å; F577-D580 PolarHBondContact O-N 2.87Å; F577-Q581 WeakPolarHBondContact O-CB 3.49Å; F577-Q581 PolarHBondContact O-N 2.65Å |
| 578 | Y | 80.9 | Confident | 78.3 | Confident | 149 Ų | 149 | 109.1 Ų | 109.1 | 58% | 0.584 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -68.8 | -26.4 | 175.5 | -71.7 | -59.2 | 0 | 0 | 0 | 113.4 | D574 E576 V582 | D574-Y578 WeakPolarHBondContact O-CD2 3.5Å; D574-Y578 PolarHBondContact O-N 2.95Å; E576-Y578 PolarHBondContact O-N 2.88Å; Y578-V582 WeakPolarHBondContact O-CB 3.46Å; Y578-V582 VanDerWaalsContact O-CG2 3.29Å; Y578-V582 WeakPolarHBondContact O-CG2 3.48Å; Y578-V582 PolarHBondContact O-N 3.19Å; Y578-V582 VanDerWaalsContact O-N 3.1Å |
| 579 | R | 85.1 | Confident | 79.4 | Confident | 148 Ų | 148 | 104.5 Ų | 104.5 | 56% | 0.558 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -71.9 | -49.4 | 174.2 | -172.3 | -166.3 | -45.6 | -79.7 | -18.8 | 109.8 | A575 E576 F577 Q581 V582 E583 | A575-R579 PolarHBondContact O-NH2 2.85Å; E576-R579 CarbonylContact O-C 3.48Å; E576-R579 WeakPolarHBondContact O-CA 3.38Å; E576-R579 VanDerWaalsContact O-CB 3.29Å; E576-R579 WeakPolarHBondContact O-CB 3.44Å; E576-R579 PolarHBondContact O-N 3.43Å; F577-R579 VanDerWaalsContact C-N 3.29Å; F577-R579 PolarHBondContact O-N 2.92Å; R579-Q581 VanDerWaalsContact C-N 3.27Å; R579-Q581 PolarHBondContact O-N 2.92Å; R579-V582 CarbonylContact O-C 3.54Å; R579-V582 PolarHBondContact O-N 3.12Å; R579-V582 VanDerWaalsContact O-N 3.11Å; R579-E583 WeakPolarHBondContact O-CB 3.49Å; R579-E583 PolarHBondContact O-N 3.32Å |
| 580 | D | 84.9 | Confident | 80.3 | Confident | 98 Ų | 98 | 106.6 Ų | 106.6 | 52% | 0.524 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.5 | -37.5 | 177.6 | -60.4 | -2.2 | 0 | 0 | 0 | 110.7 | E576 F577 E583 L584 | E576-D580 PolarHBondContact O-N 2.93Å; F577-D580 PolarHBondContact O-N 2.87Å; D580-E583 PolarHBondContact O-N 3.46Å; D580-L584 VanDerWaalsContact O-CB 3.27Å; D580-L584 WeakPolarHBondContact O-CB 3.47Å; D580-L584 PolarHBondContact O-N 2.93Å |
| 581 | Q | 80.7 | Confident | 81 | Confident | 92 Ų | 92 | 104.7 Ų | 104.7 | 43% | 0.43 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.7 | -39.9 | 173.9 | -171.6 | 173.4 | 42.7 | 0 | 0 | 112.7 | F577 R579 L585 | F577-Q581 WeakPolarHBondContact O-CB 3.49Å; F577-Q581 PolarHBondContact O-N 2.65Å; R579-Q581 VanDerWaalsContact C-N 3.27Å; R579-Q581 PolarHBondContact O-N 2.92Å; Q581-L585 HydrophobicContact CG-CD1 4.41Å; Q581-L585 WeakPolarHBondContact O-CB 3.5Å; Q581-L585 VanDerWaalsContact O-CG 3.27Å; Q581-L585 WeakPolarHBondContact O-CG 3.31Å; Q581-L585 PolarHBondContact O-N 3.5Å |
| 582 | V | 83.7 | Confident | 81.5 | Confident | 78 Ų | 78 | 104.8 Ų | 104.8 | 47% | 0.473 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -71 | -32 | 174.3 | 167.3 | 0 | 0 | 0 | 0 | 111.8 | Y578 R579 R586 | Y578-V582 WeakPolarHBondContact O-CB 3.46Å; Y578-V582 VanDerWaalsContact O-CG2 3.29Å; Y578-V582 WeakPolarHBondContact O-CG2 3.48Å; Y578-V582 PolarHBondContact O-N 3.19Å; Y578-V582 VanDerWaalsContact O-N 3.1Å; R579-V582 CarbonylContact O-C 3.54Å; R579-V582 PolarHBondContact O-N 3.12Å; R579-V582 VanDerWaalsContact O-N 3.11Å; V582-R586 WeakPolarHBondContact O-CB 3.32Å; V582-R586 VanDerWaalsContact O-CG 3.24Å; V582-R586 WeakPolarHBondContact O-CG 3.32Å; V582-R586 PolarHBondContact O-N 2.93Å |
| 583 | E | 84.3 | Confident | 81.8 | Confident | 115 Ų | 115 | 105.7 Ų | 105.7 | 54% | 0.537 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -71.9 | -41.9 | 175.3 | -164.1 | 145.7 | -154.6 | 0 | 0 | 110.6 | R579 D580 R586 E587 | R579-E583 WeakPolarHBondContact O-CB 3.49Å; R579-E583 PolarHBondContact O-N 3.32Å; D580-E583 PolarHBondContact O-N 3.46Å; E583-R586 CarbonylContact O-C 3.57Å; E583-R586 WeakPolarHBondContact O-CB 3.49Å; E583-R586 PolarHBondContact O-N 2.99Å; E583-R586 VanDerWaalsContact O-N 3.15Å; E583-E587 PolarHBondContact O-N 3.43Å |
| 584 | L | 83.5 | Confident | 82.4 | Confident | 109 Ų | 109 | 105.1 Ų | 105.1 | 57% | 0.571 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.9 | -41.5 | 171.6 | -172.7 | 70.2 | 0 | 0 | 0 | 112.6 | D580 R586 E587 E588 | D580-L584 VanDerWaalsContact O-CB 3.27Å; D580-L584 WeakPolarHBondContact O-CB 3.47Å; D580-L584 PolarHBondContact O-N 2.93Å; L584-R586 VanDerWaalsContact C-N 3.27Å; L584-R586 PolarHBondContact O-N 2.86Å; L584-E587 PolarHBondContact O-N 3.41Å; L584-E588 WeakPolarHBondContact O-CB 3.29Å; L584-E588 PolarHBondContact O-N 2.92Å |
| 585 | L | 83.2 | Confident | 82.5 | Confident | 104 Ų | 104 | 108.6 Ų | 108.6 | 55% | 0.545 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.6 | -28.8 | 174.4 | -75.3 | 169.3 | 0 | 0 | 0 | 112.4 | Q581 A589 | Q581-L585 HydrophobicContact CG-CD1 4.41Å; Q581-L585 WeakPolarHBondContact O-CB 3.5Å; Q581-L585 VanDerWaalsContact O-CG 3.27Å; Q581-L585 WeakPolarHBondContact O-CG 3.31Å; Q581-L585 PolarHBondContact O-N 3.5Å; L585-A589 VanDerWaalsContact O-CB 3.27Å; L585-A589 WeakPolarHBondContact O-CB 3.46Å; L585-A589 PolarHBondContact O-N 2.84Å |
| 586 | R | 84 | Confident | 82.4 | Confident | 171 Ų | 171 | 108.4 Ų | 108.4 | 65% | 0.645 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -72.5 | -44.8 | 170.6 | -77 | 168.4 | 173.3 | -78.2 | -4.1 | 111.5 | V582 E583 L584 E588 A589 D590 | V582-R586 WeakPolarHBondContact O-CB 3.32Å; V582-R586 VanDerWaalsContact O-CG 3.24Å; V582-R586 WeakPolarHBondContact O-CG 3.32Å; V582-R586 PolarHBondContact O-N 2.93Å; E583-R586 CarbonylContact O-C 3.57Å; E583-R586 WeakPolarHBondContact O-CB 3.49Å; E583-R586 PolarHBondContact O-N 2.99Å; E583-R586 VanDerWaalsContact O-N 3.15Å; L584-R586 VanDerWaalsContact C-N 3.27Å; L584-R586 PolarHBondContact O-N 2.86Å; R586-E588 VanDerWaalsContact C-N 3.33Å; R586-E588 PolarHBondContact O-N 2.9Å; R586-A589 PolarHBondContact O-N 3.35Å; R586-D590 WeakPolarHBondContact O-CB 3.39Å; R586-D590 PolarHBondContact O-N 2.88Å |
| 587 | E | 83.7 | Confident | 82.6 | Confident | 133 Ų | 133 | 107.5 Ų | 107.5 | 62% | 0.621 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.1 | -40.6 | 174.6 | -72.2 | -165 | 149.6 | 0 | 0 | 111.6 | E583 L584 E591 | E583-E587 PolarHBondContact O-N 3.43Å; L584-E587 PolarHBondContact O-N 3.41Å; E587-E591 WeakPolarHBondContact O-CB 3.47Å; E587-E591 PolarHBondContact O-N 3.11Å |
| 588 | E | 81.3 | Confident | 82.5 | Confident | 109 Ų | 109 | 105.5 Ų | 105.5 | 51% | 0.509 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.7 | -39.9 | 176 | -176 | 163 | -155.8 | 0 | 0 | 112.2 | L584 R586 E591 Q592 | L584-E588 WeakPolarHBondContact O-CB 3.29Å; L584-E588 PolarHBondContact O-N 2.92Å; R586-E588 VanDerWaalsContact C-N 3.33Å; R586-E588 PolarHBondContact O-N 2.9Å; E588-E591 PolarHBondContact O-N 2.8Å; E588-Q592 WeakPolarHBondContact O-CB 3.4Å; E588-Q592 WeakPolarHBondContact O-CG 3.5Å; E588-Q592 PolarHBondContact O-N 3.18Å |
| 589 | A | 82.3 | Confident | 82.7 | Confident | 55 Ų | 55 | 101.6 Ų | 101.6 | 46% | 0.455 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64 | -45 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L585 R586 E591 Q592 Q593 | L585-A589 VanDerWaalsContact O-CB 3.27Å; L585-A589 WeakPolarHBondContact O-CB 3.46Å; L585-A589 PolarHBondContact O-N 2.84Å; R586-A589 PolarHBondContact O-N 3.35Å; A589-E591 VanDerWaalsContact C-N 3.33Å; A589-E591 PolarHBondContact O-N 3.34Å; A589-Q592 PolarHBondContact O-N 3.4Å; A589-Q593 WeakPolarHBondContact O-CB 3.34Å; A589-Q593 PolarHBondContact O-N 2.85Å |
| 590 | D | 85.6 | Confident | 82.6 | Confident | 104 Ų | 104 | 101.8 Ų | 101.8 | 56% | 0.556 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.1 | -35.2 | 175 | -79.4 | -5.4 | 0 | 0 | 0 | 111.1 | R586 Q593 L594 | R586-D590 WeakPolarHBondContact O-CB 3.39Å; R586-D590 PolarHBondContact O-N 2.88Å; D590-Q593 PolarHBondContact O-N 2.74Å; D590-L594 WeakPolarHBondContact O-CB 3.47Å; D590-L594 PolarHBondContact O-N 2.81Å |
| 591 | E | 82.9 | Confident | 82.6 | Confident | 90 Ų | 90 | 103.8 Ų | 103.8 | 42% | 0.421 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -73.5 | -35.7 | 175.5 | -142.5 | -152.4 | 154.6 | 0 | 0 | 112.3 | E587 E588 A589 L594 R595 | E587-E591 WeakPolarHBondContact O-CB 3.47Å; E587-E591 PolarHBondContact O-N 3.11Å; E588-E591 PolarHBondContact O-N 2.8Å; A589-E591 VanDerWaalsContact C-N 3.33Å; A589-E591 PolarHBondContact O-N 3.34Å; E591-L594 PolarHBondContact O-N 2.97Å; E591-R595 VanDerWaalsContact O-CB 3.27Å; E591-R595 WeakPolarHBondContact O-CB 3.27Å; E591-R595 WeakPolarHBondContact O-CD 3.48Å; E591-R595 WeakPolarHBondContact O-CG 3.36Å; E591-R595 PolarHBondContact O-N 3.15Å; E591-R595 IonicContact OE1-CZ 3.97Å; E591-R595 IonicContact OE1-NE 3.73Å; E591-R595 PolarHBondContact OE1-NE 3.35Å; E591-R595 IonicContact OE1-NH2 3.41Å; E591-R595 PolarHBondContact OE1-NH2 3.23Å; E591-R595 IonicContact OE2-CZ 2.7Å; E591-R595 IonicContact OE2-NE 3.55Å; E591-R595 IonicContact OE2-NH2 2.7Å; E591-R595 PolarHBondContact OE2-NH2 3.41Å |
| 592 | Q | 81.7 | Confident | 82.6 | Confident | 124 Ų | 124 | 102.8 Ų | 102.8 | 58% | 0.579 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65 | -40.8 | 169.7 | -73.2 | -171.4 | 27.3 | 0 | 0 | 111.4 | E588 A589 L594 R595 S596 | E588-Q592 WeakPolarHBondContact O-CB 3.4Å; E588-Q592 WeakPolarHBondContact O-CG 3.5Å; E588-Q592 PolarHBondContact O-N 3.18Å; A589-Q592 PolarHBondContact O-N 3.4Å; Q592-L594 VanDerWaalsContact C-N 3.35Å; Q592-R595 PolarHBondContact O-N 2.83Å; Q592-S596 WeakPolarHBondContact O-CB 3.29Å; Q592-S596 PolarHBondContact O-N 2.85Å; Q592-S596 PolarHBondContact O-OG 3.37Å |
| 593 | Q | 83.4 | Confident | 82.6 | Confident | 134 Ų | 134 | 103.4 Ų | 103.4 | 63% | 0.626 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.5 | -38.4 | 174.1 | -163.7 | 176.6 | 28.2 | 0 | 0 | 111.3 | A589 D590 S596 A597 | A589-Q593 WeakPolarHBondContact O-CB 3.34Å; A589-Q593 PolarHBondContact O-N 2.85Å; D590-Q593 PolarHBondContact O-N 2.74Å; Q593-S596 WeakPolarHBondContact CA-OG 3.39Å; Q593-S596 PolarHBondContact O-OG 2.79Å; Q593-A597 WeakPolarHBondContact O-CB 3.42Å; Q593-A597 PolarHBondContact O-N 3.26Å |
| 594 | L | 85.7 | Confident | 82.6 | Confident | 70 Ų | 70 | 102.7 Ų | 102.7 | 37% | 0.366 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.3 | -42.2 | 175.2 | -177.4 | 61.4 | 0 | 0 | 0 | 112.1 | D590 E591 Q592 A597 E598 | D590-L594 WeakPolarHBondContact O-CB 3.47Å; D590-L594 PolarHBondContact O-N 2.81Å; E591-L594 PolarHBondContact O-N 2.97Å; Q592-L594 VanDerWaalsContact C-N 3.35Å; L594-A597 PolarHBondContact O-N 2.99Å; L594-E598 HydrophobicContact CD1-CG 4.23Å; L594-E598 WeakPolarHBondContact O-CB 3.43Å; L594-E598 WeakPolarHBondContact O-CG 3.22Å; L594-E598 PolarHBondContact O-N 3.4Å |
| 595 | R | 77.1 | Confident | 82.7 | Confident | 155 Ų | 155 | 103.7 Ų | 103.7 | 59% | 0.585 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.2 | -41.6 | 177.6 | -74.1 | 167.1 | -179.8 | -157.1 | 11.4 | 111.7 | E591 Q592 H599 | E591-R595 VanDerWaalsContact O-CB 3.27Å; E591-R595 WeakPolarHBondContact O-CB 3.27Å; E591-R595 WeakPolarHBondContact O-CD 3.48Å; E591-R595 WeakPolarHBondContact O-CG 3.36Å; E591-R595 PolarHBondContact O-N 3.15Å; E591-R595 IonicContact OE1-CZ 3.97Å; E591-R595 IonicContact OE1-NE 3.73Å; E591-R595 PolarHBondContact OE1-NE 3.35Å; E591-R595 IonicContact OE1-NH2 3.41Å; E591-R595 PolarHBondContact OE1-NH2 3.23Å; E591-R595 IonicContact OE2-CZ 2.7Å; E591-R595 IonicContact OE2-NE 3.55Å; E591-R595 IonicContact OE2-NH2 2.7Å; E591-R595 PolarHBondContact OE2-NH2 3.41Å; Q592-R595 PolarHBondContact O-N 2.83Å; R595-H599 VanDerWaalsContact O-CB 3.3Å; R595-H599 WeakPolarHBondContact O-CB 3.48Å; R595-H599 PolarHBondContact O-N 2.9Å |
| 596 | S | 76.1 | Confident | 82.8 | Confident | 46 Ų | 46 | 102.6 Ų | 102.6 | 32% | 0.322 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.5 | -41.1 | 172.9 | 57.2 | 0 | 0 | 0 | 0 | 112 | Q592 Q593 H599 Y600 | Q592-S596 WeakPolarHBondContact O-CB 3.29Å; Q592-S596 PolarHBondContact O-N 2.85Å; Q592-S596 PolarHBondContact O-OG 3.37Å; Q593-S596 WeakPolarHBondContact CA-OG 3.39Å; Q593-S596 PolarHBondContact O-OG 2.79Å; S596-H599 WeakPolarHBondContact O-CB 3.33Å; S596-H599 PolarHBondContact O-N 3.49Å; S596-Y600 WeakPolarHBondContact O-CD2 3.44Å; S596-Y600 PolarHBondContact O-N 2.8Å |
| 597 | A | 82.7 | Confident | 82.8 | Confident | 52 Ų | 52 | 99.6 Ų | 99.6 | 43% | 0.43 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64 | -42.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q593 L594 H599 Y600 K601 | Q593-A597 WeakPolarHBondContact O-CB 3.42Å; Q593-A597 PolarHBondContact O-N 3.26Å; L594-A597 PolarHBondContact O-N 2.99Å; A597-H599 VanDerWaalsContact C-N 3.34Å; A597-Y600 PolarHBondContact O-N 3.19Å; A597-K601 WeakPolarHBondContact O-CB 3.39Å; A597-K601 PolarHBondContact O-N 3.44Å |
| 598 | E | 81 | Confident | 82.9 | Confident | 79 Ų | 79 | 94.8 Ų | 94.8 | 37% | 0.369 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.9 | -35.5 | 173.9 | -75.5 | -171.3 | -169.1 | 0 | 0 | 111.1 | K550 L594 N602 | K550-E598 IonicContact NZ-OE1 2.81Å; K550-E598 PolarHBondContact NZ-OE1 3.49Å; L594-E598 HydrophobicContact CD1-CG 4.23Å; L594-E598 WeakPolarHBondContact O-CB 3.43Å; L594-E598 WeakPolarHBondContact O-CG 3.22Å; L594-E598 PolarHBondContact O-N 3.4Å; E598-N602 WeakPolarHBondContact O-CB 3.43Å; E598-N602 VanDerWaalsContact O-CG 3.28Å; E598-N602 PolarHBondContact O-N 2.94Å; E598-N602 PolarHBondContact O-ND2 3.01Å |
| 599 | H | 83.8 | Confident | 83.1 | Confident | 68 Ų | 68 | 93.7 Ų | 93.7 | 32% | 0.315 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63 | -51.7 | 171.6 | 170.7 | -119.5 | 0 | 0 | 0 | 112.3 | R595 S596 A597 K601 N602 Q603 | R595-H599 VanDerWaalsContact O-CB 3.3Å; R595-H599 WeakPolarHBondContact O-CB 3.48Å; R595-H599 PolarHBondContact O-N 2.9Å; S596-H599 WeakPolarHBondContact O-CB 3.33Å; S596-H599 PolarHBondContact O-N 3.49Å; A597-H599 VanDerWaalsContact C-N 3.34Å; H599-K601 PolarHBondContact O-N 3.13Å; H599-N602 WeakPolarHBondContact O-CB 3.31Å; H599-N602 PolarHBondContact O-N 3.43Å; H599-Q603 PolarHBondContact CE1-NE2 2.94Å; H599-Q603 PolarHBondContact NE2-NE2 2.79Å; H599-Q603 PolarHBondContact O-N 2.87Å |
| 600 | Y | 82.4 | Confident | 83.3 | Confident | 152 Ų | 152 | 97.6 Ų | 97.6 | 60% | 0.596 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -62.6 | -40.1 | 176.1 | -72.4 | -62.6 | 0 | 0 | 0 | 112.2 | S596 A597 N602 Q603 V604 | S596-Y600 WeakPolarHBondContact O-CD2 3.44Å; S596-Y600 PolarHBondContact O-N 2.8Å; A597-Y600 PolarHBondContact O-N 3.19Å; Y600-N602 VanDerWaalsContact C-N 3.32Å; Y600-N602 PolarHBondContact O-N 2.8Å; Y600-Q603 PolarHBondContact O-N 3.18Å; Y600-V604 WeakPolarHBondContact O-CB 3.42Å; Y600-V604 WeakPolarHBondContact O-CG2 3.28Å; Y600-V604 PolarHBondContact O-N 3.41Å |
| 601 | K | 85 | Confident | 83.4 | Confident | 140 Ų | 140 | 96.3 Ų | 96.3 | 61% | 0.609 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -61.4 | -37.6 | 174.2 | -175.7 | 176.1 | -176.5 | 174.3 | 0 | 112.4 | A597 H599 R605 | A597-K601 WeakPolarHBondContact O-CB 3.39Å; A597-K601 PolarHBondContact O-N 3.44Å; H599-K601 PolarHBondContact O-N 3.13Å; K601-R605 WeakPolarHBondContact O-CB 3.32Å; K601-R605 PolarHBondContact O-N 3.1Å |
| 602 | N | 82.2 | Confident | 83.5 | Confident | 70 Ų | 70 | 98.5 Ų | 98.5 | 37% | 0.374 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68.3 | -42.8 | 172.4 | -79.9 | -49.2 | 0 | 0 | 0 | 111.9 | E598 H599 Y600 R605 V606 | E598-N602 WeakPolarHBondContact O-CB 3.43Å; E598-N602 VanDerWaalsContact O-CG 3.28Å; E598-N602 PolarHBondContact O-N 2.94Å; E598-N602 PolarHBondContact O-ND2 3.01Å; H599-N602 WeakPolarHBondContact O-CB 3.31Å; H599-N602 PolarHBondContact O-N 3.43Å; Y600-N602 VanDerWaalsContact C-N 3.32Å; Y600-N602 PolarHBondContact O-N 2.8Å; N602-R605 PolarHBondContact O-N 2.85Å; N602-R605 VanDerWaalsContact OD1-CZ 3.28Å; N602-R605 PolarHBondContact OD1-NH1 2.82Å; N602-R605 PolarHBondContact OD1-NH2 3.26Å; N602-V606 WeakPolarHBondContact O-CG2 3.23Å; N602-V606 PolarHBondContact O-N 3.01Å |
| 603 | Q | 83.5 | Confident | 83.8 | Confident | 92 Ų | 92 | 97 Ų | 97 | 43% | 0.43 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.9 | -45.9 | 174.3 | -68.9 | -161 | 13.8 | 0 | 0 | 111.9 | H599 Y600 R605 V606 L607 | H599-Q603 PolarHBondContact CE1-NE2 2.94Å; H599-Q603 PolarHBondContact NE2-NE2 2.79Å; H599-Q603 PolarHBondContact O-N 2.87Å; Y600-Q603 PolarHBondContact O-N 3.18Å; Q603-R605 VanDerWaalsContact C-N 3.32Å; Q603-R605 PolarHBondContact O-N 2.88Å; Q603-V606 PolarHBondContact O-N 3.49Å; Q603-L607 WeakPolarHBondContact O-CB 3.39Å; Q603-L607 VanDerWaalsContact O-CG 3.32Å; Q603-L607 WeakPolarHBondContact O-CG 3.42Å; Q603-L607 PolarHBondContact O-N 3.09Å |
| 604 | V | 83.4 | Confident | 84 | Confident | 100 Ų | 100 | 94.9 Ų | 94.9 | 61% | 0.606 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -61.4 | -38.6 | 176.6 | 170.1 | 0 | 0 | 0 | 0 | 111.3 | Y600 L607 G608 | Y600-V604 WeakPolarHBondContact O-CB 3.42Å; Y600-V604 WeakPolarHBondContact O-CG2 3.28Å; Y600-V604 PolarHBondContact O-N 3.41Å; V604-L607 PolarHBondContact O-N 2.84Å; V604-G608 PolarHBondContact O-N 3.41Å |
| 605 | R | 85.8 | Confident | 83.9 | Confident | 130 Ų | 130 | 97.5 Ų | 97.5 | 49% | 0.491 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.5 | -48 | 173.1 | -169.7 | -174.4 | 62 | -106.5 | -7 | 111.8 | K601 N602 Q603 L607 G608 E609 | K601-R605 WeakPolarHBondContact O-CB 3.32Å; K601-R605 PolarHBondContact O-N 3.1Å; N602-R605 PolarHBondContact O-N 2.85Å; N602-R605 VanDerWaalsContact OD1-CZ 3.28Å; N602-R605 PolarHBondContact OD1-NH1 2.82Å; N602-R605 PolarHBondContact OD1-NH2 3.26Å; Q603-R605 VanDerWaalsContact C-N 3.32Å; Q603-R605 PolarHBondContact O-N 2.88Å; R605-L607 VanDerWaalsContact C-N 3.3Å; R605-L607 PolarHBondContact O-N 2.8Å; R605-G608 WeakPolarHBondContact O-CA 3.43Å; R605-G608 PolarHBondContact O-N 2.94Å; R605-G608 VanDerWaalsContact O-N 3.09Å; R605-E609 WeakPolarHBondContact CD-OE1 3.23Å; R605-E609 HydrophobicContact CG-CG 4.5Å; R605-E609 WeakPolarHBondContact CG-OE1 3.24Å; R605-E609 IonicContact NE-OE1 2.67Å; R605-E609 PolarHBondContact NE-OE1 2.87Å; R605-E609 WeakPolarHBondContact O-CG 3.23Å; R605-E609 PolarHBondContact O-N 3.02Å |
| 606 | V | 85.8 | Confident | 84.3 | Confident | 80 Ų | 80 | 96 Ų | 96 | 49% | 0.485 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.8 | -35.7 | 178.6 | 172 | 0 | 0 | 0 | 0 | 111.7 | N602 Q603 R610 | N602-V606 WeakPolarHBondContact O-CG2 3.23Å; N602-V606 PolarHBondContact O-N 3.01Å; Q603-V606 PolarHBondContact O-N 3.49Å; V606-R610 WeakPolarHBondContact O-CB 3.38Å; V606-R610 PolarHBondContact O-N 3.17Å |
| 607 | L | 84 | Confident | 84.8 | Confident | 109 Ų | 109 | 98.2 Ų | 98.2 | 57% | 0.571 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -68.2 | -38.3 | 171.9 | -71.5 | 170.7 | 0 | 0 | 0 | 111.8 | Q603 V604 R605 R610 V611 | Q603-L607 WeakPolarHBondContact O-CB 3.39Å; Q603-L607 VanDerWaalsContact O-CG 3.32Å; Q603-L607 WeakPolarHBondContact O-CG 3.42Å; Q603-L607 PolarHBondContact O-N 3.09Å; V604-L607 PolarHBondContact O-N 2.84Å; R605-L607 VanDerWaalsContact C-N 3.3Å; R605-L607 PolarHBondContact O-N 2.8Å; L607-R610 CarbonylContact O-C 3.55Å; L607-R610 WeakPolarHBondContact O-CB 3.23Å; L607-R610 PolarHBondContact O-N 2.8Å; L607-V611 WeakPolarHBondContact O-CB 3.23Å; L607-V611 VanDerWaalsContact O-CG2 3.31Å; L607-V611 WeakPolarHBondContact O-CG2 3.33Å; L607-V611 PolarHBondContact O-N 3.38Å |
| 608 | G | 86 | Confident | 85 | Confident | 31 Ų | 31 | 101.3 Ų | 101.3 | 32% | 0.32 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.1 | -54.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V604 R605 R610 V611 E612 | V604-G608 PolarHBondContact O-N 3.41Å; R605-G608 WeakPolarHBondContact O-CA 3.43Å; R605-G608 PolarHBondContact O-N 2.94Å; R605-G608 VanDerWaalsContact O-N 3.09Å; G608-R610 PolarHBondContact O-N 2.87Å; G608-V611 PolarHBondContact O-N 2.7Å; G608-E612 PolarHBondContact O-N 3.26Å |
| 609 | E | 85.2 | Confident | 85.2 | Confident | 87 Ų | 87 | 100.4 Ų | 100.4 | 41% | 0.407 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -53.2 | -37.4 | 172.8 | -69 | 169.2 | -152.2 | 0 | 0 | 111.3 | R605 Q613 | R605-E609 WeakPolarHBondContact CD-OE1 3.23Å; R605-E609 HydrophobicContact CG-CG 4.5Å; R605-E609 WeakPolarHBondContact CG-OE1 3.24Å; R605-E609 IonicContact NE-OE1 2.67Å; R605-E609 PolarHBondContact NE-OE1 2.87Å; R605-E609 WeakPolarHBondContact O-CG 3.23Å; R605-E609 PolarHBondContact O-N 3.02Å; E609-Q613 WeakPolarHBondContact O-CB 3.28Å; E609-Q613 VanDerWaalsContact O-CG 3.24Å; E609-Q613 WeakPolarHBondContact O-CG 3.21Å; E609-Q613 PolarHBondContact O-N 3.43Å |
| 610 | R | 86.2 | Confident | 85.3 | Confident | 137 Ų | 137 | 101.9 Ų | 101.9 | 52% | 0.517 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -73 | -36.4 | 177.2 | -170.4 | 57.7 | 170.6 | 178.5 | 1.4 | 113.2 | V606 L607 G608 Q613 L614 | V606-R610 WeakPolarHBondContact O-CB 3.38Å; V606-R610 PolarHBondContact O-N 3.17Å; L607-R610 CarbonylContact O-C 3.55Å; L607-R610 WeakPolarHBondContact O-CB 3.23Å; L607-R610 PolarHBondContact O-N 2.8Å; G608-R610 PolarHBondContact O-N 2.87Å; R610-Q613 VanDerWaalsContact NH1-OE1 3.07Å; R610-L614 HydrophobicContact CG-CD1 4.29Å; R610-L614 WeakPolarHBondContact O-CB 3.46Å; R610-L614 VanDerWaalsContact O-CG 3.24Å; R610-L614 WeakPolarHBondContact O-CG 3.3Å; R610-L614 PolarHBondContact O-N 3.01Å |
| 611 | V | 88.4 | Confident | 85.3 | Confident | 77 Ų | 77 | 98.6 Ų | 98.6 | 47% | 0.467 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.7 | -40.5 | 174.6 | 166.5 | 0 | 0 | 0 | 0 | 110.6 | L607 G608 L614 Q615 | L607-V611 WeakPolarHBondContact O-CB 3.23Å; L607-V611 VanDerWaalsContact O-CG2 3.31Å; L607-V611 WeakPolarHBondContact O-CG2 3.33Å; L607-V611 PolarHBondContact O-N 3.38Å; G608-V611 PolarHBondContact O-N 2.7Å; V611-L614 CarbonylContact O-C 3.56Å; V611-L614 PolarHBondContact O-N 3.38Å; V611-Q615 HydrophobicContact CG1-CG 4.46Å; V611-Q615 WeakPolarHBondContact O-CB 3.19Å; V611-Q615 WeakPolarHBondContact O-CG 3.3Å; V611-Q615 PolarHBondContact O-N 2.92Å |
| 612 | E | 84.5 | Confident | 85.3 | Confident | 135 Ų | 135 | 95.1 Ų | 95.1 | 63% | 0.631 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.2 | -45.1 | 173 | -71.2 | -177.4 | 174.9 | 0 | 0 | 111.5 | G608 L614 Q615 H616 | G608-E612 PolarHBondContact O-N 3.26Å; E612-L614 VanDerWaalsContact C-N 3.32Å; E612-L614 PolarHBondContact O-N 2.85Å; E612-Q615 PolarHBondContact O-N 3.42Å; E612-H616 WeakPolarHBondContact O-CB 3.45Å; E612-H616 PolarHBondContact O-N 2.77Å |
| 613 | Q | 86.7 | Confident | 85.5 | Confident | 93 Ų | 93 | 94.1 Ų | 94.1 | 44% | 0.435 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -57.6 | -43.4 | 172 | -76.3 | 169.9 | 22 | 0 | 0 | 112.2 | E609 R610 H616 I617 | E609-Q613 WeakPolarHBondContact O-CB 3.28Å; E609-Q613 VanDerWaalsContact O-CG 3.24Å; E609-Q613 WeakPolarHBondContact O-CG 3.21Å; E609-Q613 PolarHBondContact O-N 3.43Å; R610-Q613 VanDerWaalsContact NH1-OE1 3.07Å; Q613-H616 PolarHBondContact O-N 3.36Å; Q613-I617 WeakPolarHBondContact O-CB 3.42Å; Q613-I617 WeakPolarHBondContact O-CD1 3.14Å; Q613-I617 VanDerWaalsContact O-CG1 3.26Å; Q613-I617 WeakPolarHBondContact O-CG1 3.45Å; Q613-I617 PolarHBondContact O-N 3.46Å |
| 614 | L | 87.5 | Confident | 85.8 | Confident | 89 Ų | 89 | 93.9 Ų | 93.9 | 47% | 0.466 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -70.5 | -36.3 | 179 | -74.4 | 169.2 | 0 | 0 | 0 | 112.3 | R610 V611 E612 I617 L618 | R610-L614 HydrophobicContact CG-CD1 4.29Å; R610-L614 WeakPolarHBondContact O-CB 3.46Å; R610-L614 VanDerWaalsContact O-CG 3.24Å; R610-L614 WeakPolarHBondContact O-CG 3.3Å; R610-L614 PolarHBondContact O-N 3.01Å; V611-L614 CarbonylContact O-C 3.56Å; V611-L614 PolarHBondContact O-N 3.38Å; E612-L614 VanDerWaalsContact C-N 3.32Å; E612-L614 PolarHBondContact O-N 2.85Å; L614-I617 PolarHBondContact O-N 2.86Å; L614-L618 WeakPolarHBondContact O-CB 3.31Å; L614-L618 PolarHBondContact O-N 3.31Å |
| 615 | Q | 84.8 | Confident | 85.9 | Confident | 125 Ų | 125 | 93.5 Ų | 93.5 | 58% | 0.584 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.5 | -40.3 | 172.1 | -78.4 | -176.1 | -17.8 | 0 | 0 | 111.7 | V611 E612 L618 A619 | V611-Q615 HydrophobicContact CG1-CG 4.46Å; V611-Q615 WeakPolarHBondContact O-CB 3.19Å; V611-Q615 WeakPolarHBondContact O-CG 3.3Å; V611-Q615 PolarHBondContact O-N 2.92Å; E612-Q615 PolarHBondContact O-N 3.42Å; Q615-L618 PolarHBondContact O-N 2.86Å; Q615-A619 WeakPolarHBondContact O-CB 3.22Å; Q615-A619 PolarHBondContact O-N 2.88Å |
| 616 | H | 85.4 | Confident | 85.8 | Confident | 125 Ų | 125 | 93.9 Ų | 93.9 | 58% | 0.579 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.3 | -43.2 | 175.2 | -176.4 | -92.4 | 0 | 0 | 0 | 111.9 | E612 Q613 A619 L620 | E612-H616 WeakPolarHBondContact O-CB 3.45Å; E612-H616 PolarHBondContact O-N 2.77Å; Q613-H616 PolarHBondContact O-N 3.36Å; H616-A619 PolarHBondContact O-N 2.99Å; H616-L620 WeakPolarHBondContact O-CG 3.43Å; H616-L620 PolarHBondContact O-N 3.44Å |
| 617 | I | 86.9 | Confident | 85.7 | Confident | 92 Ų | 92 | 97.1 Ų | 97.1 | 47% | 0.472 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 173.6 | -69.2 | 164.6 | 0 | 0 | 0 | 110.8 | Q613 L614 L620 E621 | Q613-I617 WeakPolarHBondContact O-CB 3.42Å; Q613-I617 WeakPolarHBondContact O-CD1 3.14Å; Q613-I617 VanDerWaalsContact O-CG1 3.26Å; Q613-I617 WeakPolarHBondContact O-CG1 3.45Å; Q613-I617 PolarHBondContact O-N 3.46Å; L614-I617 PolarHBondContact O-N 2.86Å; I617-L620 PolarHBondContact O-N 3.39Å; I617-E621 PolarHBondContact O-N 2.88Å |
| 618 | L | 85.9 | Confident | 85.9 | Confident | 116 Ų | 116 | 96.3 Ų | 96.3 | 61% | 0.607 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.5 | -41.6 | 177.1 | -171.3 | 70.5 | 0 | 0 | 0 | 111.2 | L614 Q615 E621 S622 | L614-L618 WeakPolarHBondContact O-CB 3.31Å; L614-L618 PolarHBondContact O-N 3.31Å; Q615-L618 PolarHBondContact O-N 2.86Å; L618-E621 PolarHBondContact O-N 2.88Å; L618-S622 WeakPolarHBondContact O-CB 3.27Å; L618-S622 PolarHBondContact O-N 3.04Å; L618-S622 PolarHBondContact O-OG 3.12Å |
| 619 | A | 84.8 | Confident | 85.9 | Confident | 60 Ų | 60 | 98 Ų | 98 | 50% | 0.496 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.3 | -39.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q615 H616 S622 S623 | Q615-A619 WeakPolarHBondContact O-CB 3.22Å; Q615-A619 PolarHBondContact O-N 2.88Å; H616-A619 PolarHBondContact O-N 2.99Å; A619-S622 PolarHBondContact O-N 3.02Å; A619-S623 WeakPolarHBondContact O-CB 3.44Å; A619-S623 PolarHBondContact O-N 2.92Å |
| 620 | L | 86.1 | Confident | 85.8 | Confident | 99 Ų | 99 | 97.2 Ų | 97.2 | 52% | 0.518 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.8 | -41.2 | 173.9 | -73.9 | 174.2 | 0 | 0 | 0 | 112.3 | H616 I617 K624 | H616-L620 WeakPolarHBondContact O-CG 3.43Å; H616-L620 PolarHBondContact O-N 3.44Å; I617-L620 PolarHBondContact O-N 3.39Å; L620-K624 WeakPolarHBondContact O-CB 3.36Å; L620-K624 PolarHBondContact O-N 2.98Å |
| 621 | E | 83.9 | Confident | 85.9 | Confident | 83 Ų | 83 | 96.2 Ų | 96.2 | 39% | 0.388 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -71.4 | -35.8 | 175.2 | -77.1 | -63.3 | 160.2 | 0 | 0 | 112.3 | I617 L618 K624 V625 | I617-E621 PolarHBondContact O-N 2.88Å; L618-E621 PolarHBondContact O-N 2.88Å; E621-K624 CarbonylContact O-C 3.6Å; E621-K624 WeakPolarHBondContact O-CB 3.49Å; E621-K624 PolarHBondContact O-N 3.47Å; E621-K624 VanDerWaalsContact O-N 3.13Å; E621-K624 IonicContact OE1-NZ 3.56Å; E621-K624 PolarHBondContact OE1-NZ 3.42Å; E621-K624 IonicContact OE2-NZ 2.67Å; E621-K624 PolarHBondContact OE2-NZ 2.69Å; E621-V625 WeakPolarHBondContact O-CB 3.48Å; E621-V625 WeakPolarHBondContact O-CG2 3.4Å; E621-V625 PolarHBondContact O-N 3.2Å |
| 622 | S | 84.6 | Confident | 85.8 | Confident | 67 Ų | 67 | 97.6 Ų | 97.6 | 47% | 0.469 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.2 | -48.8 | 169.9 | -67.7 | 0 | 0 | 0 | 0 | 111.3 | L618 A619 K624 V625 E626 | L618-S622 WeakPolarHBondContact O-CB 3.27Å; L618-S622 PolarHBondContact O-N 3.04Å; L618-S622 PolarHBondContact O-OG 3.12Å; A619-S622 PolarHBondContact O-N 3.02Å; S622-K624 PolarHBondContact O-N 3.49Å; S622-V625 PolarHBondContact O-N 3.37Å; S622-E626 VanDerWaalsContact O-CB 3.27Å; S622-E626 WeakPolarHBondContact O-CB 3.15Å; S622-E626 PolarHBondContact O-N 3.23Å |
| 623 | S | 85 | Confident | 85.8 | Confident | 49 Ų | 49 | 97.9 Ų | 97.9 | 34% | 0.343 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.3 | -26.6 | 174.7 | 172.2 | 0 | 0 | 0 | 0 | 113.4 | A619 R627 | A619-S623 WeakPolarHBondContact O-CB 3.44Å; A619-S623 PolarHBondContact O-N 2.92Å; S623-R627 PolarHBondContact O-N 2.9Å; S623-R627 PolarHBondContact O-NE 3.07Å |
| 624 | K | 89.8 | Confident | 85.7 | Confident | 88 Ų | 88 | 100.3 Ų | 100.3 | 38% | 0.383 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -82.2 | -40.2 | 176.8 | 174 | 162 | 152.7 | -91.1 | 0 | 111.7 | L620 E621 S622 L628 | L620-K624 WeakPolarHBondContact O-CB 3.36Å; L620-K624 PolarHBondContact O-N 2.98Å; E621-K624 CarbonylContact O-C 3.6Å; E621-K624 WeakPolarHBondContact O-CB 3.49Å; E621-K624 PolarHBondContact O-N 3.47Å; E621-K624 VanDerWaalsContact O-N 3.13Å; E621-K624 IonicContact OE1-NZ 3.56Å; E621-K624 PolarHBondContact OE1-NZ 3.42Å; E621-K624 IonicContact OE2-NZ 2.67Å; E621-K624 PolarHBondContact OE2-NZ 2.69Å; S622-K624 PolarHBondContact O-N 3.49Å; K624-L628 HydrophobicContact CG-CD1 4.1Å; K624-L628 WeakPolarHBondContact O-CB 3.47Å; K624-L628 WeakPolarHBondContact O-CD1 3.26Å; K624-L628 WeakPolarHBondContact O-CG 3.39Å; K624-L628 PolarHBondContact O-N 2.99Å |
| 625 | V | 86.1 | Confident | 85.7 | Confident | 92 Ų | 92 | 103 Ų | 103 | 56% | 0.558 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.7 | -41 | 171.2 | 169.6 | 0 | 0 | 0 | 0 | 110.9 | E621 S622 L628 S629 | E621-V625 WeakPolarHBondContact O-CB 3.48Å; E621-V625 WeakPolarHBondContact O-CG2 3.4Å; E621-V625 PolarHBondContact O-N 3.2Å; S622-V625 PolarHBondContact O-N 3.37Å; V625-L628 PolarHBondContact O-N 2.81Å; V625-S629 VanDerWaalsContact O-CB 3.31Å; V625-S629 WeakPolarHBondContact O-CB 3.35Å; V625-S629 PolarHBondContact O-N 3.44Å |
| 626 | E | 83.2 | Confident | 85.7 | Confident | 137 Ų | 137 | 101.2 Ų | 101.2 | 64% | 0.64 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.3 | -46.3 | 177.1 | -169.7 | 169.7 | -134.9 | 0 | 0 | 111.3 | S622 S629 S630 | S622-E626 VanDerWaalsContact O-CB 3.27Å; S622-E626 WeakPolarHBondContact O-CB 3.15Å; S622-E626 PolarHBondContact O-N 3.23Å; E626-S629 WeakPolarHBondContact O-CB 3.35Å; E626-S629 PolarHBondContact O-N 3.45Å; E626-S630 PolarHBondContact O-N 3.36Å; E626-S630 PolarHBondContact O-OG 2.85Å |
| 627 | R | 85.2 | Confident | 85.7 | Confident | 148 Ų | 148 | 98.4 Ų | 98.4 | 56% | 0.558 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.3 | -45.3 | 171.9 | -81.3 | 177.5 | -70.2 | 143.6 | -4.9 | 113.4 | S623 S629 S630 E631 | S623-R627 PolarHBondContact O-N 2.9Å; S623-R627 PolarHBondContact O-NE 3.07Å; R627-S629 PolarHBondContact O-N 3.22Å; R627-S630 PolarHBondContact O-N 2.68Å; R627-E631 PolarHBondContact O-N 3.43Å |
| 628 | L | 87.7 | Confident | 85.6 | Confident | 92 Ų | 92 | 97.7 Ų | 97.7 | 48% | 0.482 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.7 | -30 | 176.5 | -72.8 | 166.6 | 0 | 0 | 0 | 111.8 | K624 V625 L632 | K624-L628 HydrophobicContact CG-CD1 4.1Å; K624-L628 WeakPolarHBondContact O-CB 3.47Å; K624-L628 WeakPolarHBondContact O-CD1 3.26Å; K624-L628 WeakPolarHBondContact O-CG 3.39Å; K624-L628 PolarHBondContact O-N 2.99Å; V625-L628 PolarHBondContact O-N 2.81Å; L628-L632 VanDerWaalsContact O-CB 3.24Å; L628-L632 WeakPolarHBondContact O-CB 3.31Å; L628-L632 PolarHBondContact O-N 2.85Å |
| 629 | S | 85.3 | Confident | 85.5 | Confident | 67 Ų | 67 | 96.9 Ų | 96.9 | 47% | 0.469 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.8 | -44.9 | 172.4 | -167.3 | 0 | 0 | 0 | 0 | 111.1 | V625 E626 R627 L632 E633 | V625-S629 VanDerWaalsContact O-CB 3.31Å; V625-S629 WeakPolarHBondContact O-CB 3.35Å; V625-S629 PolarHBondContact O-N 3.44Å; E626-S629 WeakPolarHBondContact O-CB 3.35Å; E626-S629 PolarHBondContact O-N 3.45Å; R627-S629 PolarHBondContact O-N 3.22Å; S629-L632 PolarHBondContact O-N 2.77Å; S629-E633 WeakPolarHBondContact O-CB 3.43Å; S629-E633 PolarHBondContact O-N 2.67Å |
| 630 | S | 84.1 | Confident | 85.6 | Confident | 70 Ų | 70 | 96.6 Ų | 96.6 | 49% | 0.49 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 174.7 | -57.8 | 0 | 0 | 0 | 0 | 112.4 | E626 R627 L632 E633 E634 | E626-S630 PolarHBondContact O-N 3.36Å; E626-S630 PolarHBondContact O-OG 2.85Å; R627-S630 PolarHBondContact O-N 2.68Å; S630-L632 VanDerWaalsContact C-N 3.34Å; S630-L632 PolarHBondContact O-N 2.74Å; S630-E633 PolarHBondContact O-N 3.25Å; S630-E634 WeakPolarHBondContact O-CB 3.43Å; S630-E634 PolarHBondContact O-N 3Å |
| 631 | E | 87.1 | Confident | 85.5 | Confident | 116 Ų | 116 | 97.1 Ų | 97.1 | 54% | 0.542 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.4 | -44 | 172.2 | -74.2 | -171.4 | 141.4 | 0 | 0 | 111.3 | R627 E633 E634 K635 | R627-E631 PolarHBondContact O-N 3.43Å; E631-E633 VanDerWaalsContact C-N 3.34Å; E631-E633 PolarHBondContact O-N 2.73Å; E631-E634 PolarHBondContact O-N 2.8Å; E631-K635 WeakPolarHBondContact O-CB 3.39Å; E631-K635 WeakPolarHBondContact O-CG 3.5Å; E631-K635 PolarHBondContact O-N 2.73Å |
| 632 | L | 86.3 | Confident | 85.5 | Confident | 106 Ų | 106 | 94.7 Ų | 94.7 | 56% | 0.555 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.5 | -35.1 | 178.6 | -175.3 | 64.6 | 0 | 0 | 0 | 112.5 | L628 S629 S630 K635 N636 | L628-L632 VanDerWaalsContact O-CB 3.24Å; L628-L632 WeakPolarHBondContact O-CB 3.31Å; L628-L632 PolarHBondContact O-N 2.85Å; S629-L632 PolarHBondContact O-N 2.77Å; S630-L632 VanDerWaalsContact C-N 3.34Å; S630-L632 PolarHBondContact O-N 2.74Å; L632-K635 PolarHBondContact O-N 3.28Å; L632-N636 WeakPolarHBondContact O-CB 3.41Å; L632-N636 PolarHBondContact O-N 2.96Å; L632-N636 PolarHBondContact O-ND2 2.86Å |
| 633 | E | 85.2 | Confident | 85.7 | Confident | 142 Ų | 142 | 96 Ų | 96 | 66% | 0.664 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -71.3 | -38.8 | 176.7 | -164.5 | 160.9 | -128.1 | 0 | 0 | 111.5 | S629 S630 E631 N636 S637 | S629-E633 WeakPolarHBondContact O-CB 3.43Å; S629-E633 PolarHBondContact O-N 2.67Å; S630-E633 PolarHBondContact O-N 3.25Å; E631-E633 VanDerWaalsContact C-N 3.34Å; E631-E633 PolarHBondContact O-N 2.73Å; E633-N636 PolarHBondContact O-N 3.32Å; E633-S637 WeakPolarHBondContact O-CB 3.45Å; E633-S637 PolarHBondContact O-N 3.48Å |
| 634 | E | 84.9 | Confident | 85.7 | Confident | 143 Ų | 143 | 96.1 Ų | 96.1 | 67% | 0.668 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67 | -38 | 171.8 | -167.7 | 177 | -120 | 0 | 0 | 112.2 | S630 E631 S637 T638 | S630-E634 WeakPolarHBondContact O-CB 3.43Å; S630-E634 PolarHBondContact O-N 3Å; E631-E634 PolarHBondContact O-N 2.8Å; E634-S637 PolarHBondContact O-N 3.15Å; E634-T638 PolarHBondContact O-N 3.35Å; E634-T638 PolarHBondContact O-OG1 3.02Å |
| 635 | K | 86.8 | Confident | 85.6 | Confident | 145 Ų | 145 | 99.6 Ų | 99.6 | 63% | 0.63 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.5 | -44 | 169.5 | -69.6 | -66.6 | 177 | -163.4 | 0 | 111.9 | E631 L632 S637 T638 E639 | E631-K635 WeakPolarHBondContact O-CB 3.39Å; E631-K635 WeakPolarHBondContact O-CG 3.5Å; E631-K635 PolarHBondContact O-N 2.73Å; L632-K635 PolarHBondContact O-N 3.28Å; K635-S637 VanDerWaalsContact C-N 3.34Å; K635-T638 WeakPolarHBondContact CA-OG1 3.41Å; K635-T638 PolarHBondContact O-N 2.93Å; K635-T638 PolarHBondContact O-OG1 3.32Å; K635-T638 VanDerWaalsContact O-OG1 3.09Å; K635-E639 WeakPolarHBondContact O-CB 3.48Å; K635-E639 PolarHBondContact O-N 2.75Å |
| 636 | N | 85.6 | Confident | 85.8 | Confident | 88 Ų | 88 | 99 Ų | 99 | 47% | 0.471 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.7 | -37.5 | 175.8 | -83.1 | -40.6 | 0 | 0 | 0 | 112 | L632 E633 E639 A640 | L632-N636 WeakPolarHBondContact O-CB 3.41Å; L632-N636 PolarHBondContact O-N 2.96Å; L632-N636 PolarHBondContact O-ND2 2.86Å; E633-N636 PolarHBondContact O-N 3.32Å; N636-E639 PolarHBondContact O-N 2.83Å; N636-A640 VanDerWaalsContact O-CB 3.26Å; N636-A640 WeakPolarHBondContact O-CB 3.21Å; N636-A640 PolarHBondContact O-N 2.73Å |
| 637 | S | 84.3 | Confident | 85.9 | Confident | 67 Ų | 67 | 99.1 Ų | 99.1 | 47% | 0.469 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64 | -50.1 | 175.9 | -167.6 | 0 | 0 | 0 | 0 | 111.4 | E633 E634 K635 E639 A640 E641 | E633-S637 WeakPolarHBondContact O-CB 3.45Å; E633-S637 PolarHBondContact O-N 3.48Å; E634-S637 PolarHBondContact O-N 3.15Å; K635-S637 VanDerWaalsContact C-N 3.34Å; S637-E639 VanDerWaalsContact C-N 3.32Å; S637-E639 PolarHBondContact O-N 3.37Å; S637-A640 WeakPolarHBondContact O-CB 3.42Å; S637-A640 PolarHBondContact O-N 3.03Å; S637-A640 VanDerWaalsContact O-N 3.07Å; S637-E641 PolarHBondContact O-N 3.07Å |
| 638 | T | 85.8 | Confident | 86.1 | Confident | 77 Ų | 77 | 96.3 Ų | 96.3 | 47% | 0.472 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.3 | -31.8 | 176.8 | 48.9 | 0 | 0 | 0 | 0 | 113 | E634 K635 G642 | E634-T638 PolarHBondContact O-N 3.35Å; E634-T638 PolarHBondContact O-OG1 3.02Å; K635-T638 WeakPolarHBondContact CA-OG1 3.41Å; K635-T638 PolarHBondContact O-N 2.93Å; K635-T638 PolarHBondContact O-OG1 3.32Å; K635-T638 VanDerWaalsContact O-OG1 3.09Å; T638-G642 PolarHBondContact O-N 2.97Å |
| 639 | E | 84.1 | Confident | 86.1 | Confident | 98 Ų | 98 | 96.8 Ų | 96.8 | 46% | 0.458 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -71.6 | -34.3 | 170.5 | -155.3 | -159.1 | 167.2 | 0 | 0 | 112.3 | K635 N636 S637 G642 K643 | K635-E639 WeakPolarHBondContact O-CB 3.48Å; K635-E639 PolarHBondContact O-N 2.75Å; N636-E639 PolarHBondContact O-N 2.83Å; S637-E639 VanDerWaalsContact C-N 3.32Å; S637-E639 PolarHBondContact O-N 3.37Å; E639-G642 PolarHBondContact O-N 2.89Å; E639-K643 VanDerWaalsContact CD-CE 3.44Å; E639-K643 HydrophobicContact CG-CD 4.49Å; E639-K643 WeakPolarHBondContact O-CB 3.21Å; E639-K643 VanDerWaalsContact O-CG 3.29Å; E639-K643 WeakPolarHBondContact O-CG 3.37Å; E639-K643 PolarHBondContact O-N 3.25Å; E639-K643 WeakPolarHBondContact OE1-CE 3.13Å; E639-K643 IonicContact OE1-NZ 3.12Å; E639-K643 PolarHBondContact OE1-NZ 3.26Å; E639-K643 IonicContact OE2-NZ 2.61Å; E639-K643 PolarHBondContact OE2-NZ 3.13Å |
| 640 | A | 85.5 | Confident | 86.2 | Confident | 54 Ų | 54 | 98.8 Ų | 98.8 | 45% | 0.446 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68 | -40.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | N636 S637 K643 A644 | N636-A640 VanDerWaalsContact O-CB 3.26Å; N636-A640 WeakPolarHBondContact O-CB 3.21Å; N636-A640 PolarHBondContact O-N 2.73Å; S637-A640 WeakPolarHBondContact O-CB 3.42Å; S637-A640 PolarHBondContact O-N 3.03Å; S637-A640 VanDerWaalsContact O-N 3.07Å; A640-K643 PolarHBondContact O-N 3.01Å; A640-A644 WeakPolarHBondContact O-CB 3.47Å; A640-A644 PolarHBondContact O-N 2.9Å |
| 641 | E | 84.4 | Confident | 86.4 | Confident | 110 Ų | 110 | 99.6 Ų | 99.6 | 51% | 0.514 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.9 | -47.4 | 168.7 | -70.9 | -174.3 | 158.8 | 0 | 0 | 111 | S637 K643 A644 Y645 | S637-E641 PolarHBondContact O-N 3.07Å; E641-K643 VanDerWaalsContact C-N 3.33Å; E641-K643 PolarHBondContact O-N 3.11Å; E641-A644 CarbonylContact O-C 3.59Å; E641-A644 WeakPolarHBondContact O-CA 3.29Å; E641-A644 WeakPolarHBondContact O-CB 3.32Å; E641-A644 PolarHBondContact O-N 2.68Å; E641-Y645 HydrophobicContact CB-CE2 4.41Å; E641-Y645 WeakPolarHBondContact O-CD2 3.43Å; E641-Y645 PolarHBondContact O-N 3.25Å |
| 642 | G | 85 | Confident | 86.3 | Confident | 33 Ų | 33 | 98.1 Ų | 98.1 | 34% | 0.34 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -54 | -46.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | T638 E639 A644 Y645 V646 | T638-G642 PolarHBondContact O-N 2.97Å; E639-G642 PolarHBondContact O-N 2.89Å; G642-A644 VanDerWaalsContact C-N 3.31Å; G642-A644 PolarHBondContact O-N 2.85Å; G642-Y645 PolarHBondContact O-N 3.45Å; G642-V646 WeakPolarHBondContact O-CG2 3.44Å; G642-V646 PolarHBondContact O-N 3.5Å |
| 643 | K | 87.7 | Confident | 86.4 | Confident | 94 Ų | 94 | 97.1 Ų | 97.1 | 41% | 0.409 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.6 | -29.4 | 174.2 | -72.7 | 165 | -176 | 163.7 | 0 | 112.6 | E639 A640 E641 R647 | E639-K643 VanDerWaalsContact CD-CE 3.44Å; E639-K643 HydrophobicContact CG-CD 4.49Å; E639-K643 WeakPolarHBondContact O-CB 3.21Å; E639-K643 VanDerWaalsContact O-CG 3.29Å; E639-K643 WeakPolarHBondContact O-CG 3.37Å; E639-K643 PolarHBondContact O-N 3.25Å; E639-K643 WeakPolarHBondContact OE1-CE 3.13Å; E639-K643 IonicContact OE1-NZ 3.12Å; E639-K643 PolarHBondContact OE1-NZ 3.26Å; E639-K643 IonicContact OE2-NZ 2.61Å; E639-K643 PolarHBondContact OE2-NZ 3.13Å; A640-K643 PolarHBondContact O-N 3.01Å; E641-K643 VanDerWaalsContact C-N 3.33Å; E641-K643 PolarHBondContact O-N 3.11Å; K643-R647 WeakPolarHBondContact O-CG 3.48Å; K643-R647 PolarHBondContact O-N 2.89Å; K643-R647 VanDerWaalsContact O-N 3.13Å; K643-R647 PolarHBondContact O-NH1 3.41Å |
| 644 | A | 85.5 | Confident | 86.5 | Confident | 51 Ų | 51 | 95.2 Ų | 95.2 | 42% | 0.421 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -71 | -44.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | A640 E641 G642 V646 R647 N648 | A640-A644 WeakPolarHBondContact O-CB 3.47Å; A640-A644 PolarHBondContact O-N 2.9Å; E641-A644 CarbonylContact O-C 3.59Å; E641-A644 WeakPolarHBondContact O-CA 3.29Å; E641-A644 WeakPolarHBondContact O-CB 3.32Å; E641-A644 PolarHBondContact O-N 2.68Å; G642-A644 VanDerWaalsContact C-N 3.31Å; G642-A644 PolarHBondContact O-N 2.85Å; A644-V646 PolarHBondContact O-N 2.89Å; A644-R647 PolarHBondContact O-N 3.36Å; A644-N648 WeakPolarHBondContact O-CB 3.23Å; A644-N648 PolarHBondContact O-N 3.3Å |
| 645 | Y | 88 | Confident | 86.5 | Confident | 161 Ų | 161 | 93.7 Ų | 93.7 | 63% | 0.631 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.5 | -43.4 | 173.1 | -72.8 | -65.4 | 0 | 0 | 0 | 112.1 | E641 G642 N648 L649 | E641-Y645 HydrophobicContact CB-CE2 4.41Å; E641-Y645 WeakPolarHBondContact O-CD2 3.43Å; E641-Y645 PolarHBondContact O-N 3.25Å; G642-Y645 PolarHBondContact O-N 3.45Å; Y645-N648 PolarHBondContact O-N 3.06Å; Y645-L649 WeakPolarHBondContact O-CG 3.03Å; Y645-L649 PolarHBondContact O-N 2.9Å |
| 646 | V | 89.6 | Confident | 86.5 | Confident | 79 Ų | 79 | 91.4 Ų | 91.4 | 48% | 0.479 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.9 | -50.8 | 175.1 | 170.4 | 0 | 0 | 0 | 0 | 111.2 | G642 A644 N648 L649 E650 | G642-V646 WeakPolarHBondContact O-CG2 3.44Å; G642-V646 PolarHBondContact O-N 3.5Å; A644-V646 PolarHBondContact O-N 2.89Å; V646-N648 VanDerWaalsContact C-N 3.27Å; V646-N648 PolarHBondContact O-N 3.31Å; V646-L649 WeakPolarHBondContact O-CB 3.44Å; V646-L649 PolarHBondContact O-N 2.8Å; V646-L649 VanDerWaalsContact O-N 3.15Å; V646-E650 HydrophobicContact CG1-CG 4.42Å; V646-E650 WeakPolarHBondContact O-CG 3.45Å; V646-E650 PolarHBondContact O-N 3Å |
| 647 | R | 85.7 | Confident | 86.4 | Confident | 141 Ų | 141 | 90 Ų | 90 | 53% | 0.532 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.2 | -35.9 | 176.9 | -70.6 | -174.4 | -153.1 | 94.2 | -13.5 | 113 | K643 A644 E650 I651 | K643-R647 WeakPolarHBondContact O-CG 3.48Å; K643-R647 PolarHBondContact O-N 2.89Å; K643-R647 VanDerWaalsContact O-N 3.13Å; K643-R647 PolarHBondContact O-NH1 3.41Å; A644-R647 PolarHBondContact O-N 3.36Å; R647-E650 WeakPolarHBondContact CA-OE2 3.4Å; R647-E650 PolarHBondContact O-N 3.25Å; R647-I651 VanDerWaalsContact O-CG1 3.26Å; R647-I651 WeakPolarHBondContact O-CG1 3.46Å; R647-I651 PolarHBondContact O-N 3.46Å |
| 648 | N | 89.7 | Confident | 86.3 | Confident | 89 Ų | 89 | 93.6 Ų | 93.6 | 48% | 0.476 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -69.8 | -36.8 | 178.4 | -156.3 | 8.7 | 0 | 0 | 0 | 111.6 | A644 Y645 V646 I651 M652 | A644-N648 WeakPolarHBondContact O-CB 3.23Å; A644-N648 PolarHBondContact O-N 3.3Å; Y645-N648 PolarHBondContact O-N 3.06Å; V646-N648 VanDerWaalsContact C-N 3.27Å; V646-N648 PolarHBondContact O-N 3.31Å; N648-I651 PolarHBondContact O-N 3.37Å; N648-M652 PolarHBondContact O-N 3.14Å |
| 649 | L | 87.7 | Confident | 86 | Confident | 102 Ų | 102 | 95.2 Ų | 95.2 | 53% | 0.534 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65 | -43.1 | 169.5 | -71 | 166 | 0 | 0 | 0 | 111.7 | Y645 V646 I651 M652 V653 | Y645-L649 WeakPolarHBondContact O-CG 3.03Å; Y645-L649 PolarHBondContact O-N 2.9Å; V646-L649 WeakPolarHBondContact O-CB 3.44Å; V646-L649 PolarHBondContact O-N 2.8Å; V646-L649 VanDerWaalsContact O-N 3.15Å; L649-I651 VanDerWaalsContact C-N 3.33Å; L649-I651 PolarHBondContact O-N 2.84Å; L649-M652 HydrophobicContact CD2-CE 4.11Å; L649-M652 PolarHBondContact O-N 2.99Å; L649-V653 WeakPolarHBondContact O-CB 3.3Å; L649-V653 VanDerWaalsContact O-CG2 3.32Å; L649-V653 WeakPolarHBondContact O-CG2 3.46Å; L649-V653 PolarHBondContact O-N 3.48Å |
| 650 | E | 87.1 | Confident | 85.7 | Confident | 108 Ų | 108 | 96.2 Ų | 96.2 | 51% | 0.505 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.8 | -41.6 | 174 | -70.2 | 174.1 | 144.8 | 0 | 0 | 111.8 | V646 R647 V653 N654 | V646-E650 HydrophobicContact CG1-CG 4.42Å; V646-E650 WeakPolarHBondContact O-CG 3.45Å; V646-E650 PolarHBondContact O-N 3Å; R647-E650 WeakPolarHBondContact CA-OE2 3.4Å; R647-E650 PolarHBondContact O-N 3.25Å; E650-V653 PolarHBondContact O-N 3.16Å; E650-N654 WeakPolarHBondContact O-CB 3.5Å; E650-N654 PolarHBondContact O-N 3.01Å; E650-N654 PolarHBondContact O-ND2 2.91Å |
| 651 | I | 87.7 | Confident | 85.4 | Confident | 88 Ų | 88 | 98.6 Ų | 98.6 | 45% | 0.451 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.5 | -46.4 | 175 | -71 | 163.8 | 0 | 0 | 0 | 110.6 | R647 N648 L649 N654 Q655 | R647-I651 VanDerWaalsContact O-CG1 3.26Å; R647-I651 WeakPolarHBondContact O-CG1 3.46Å; R647-I651 PolarHBondContact O-N 3.46Å; N648-I651 PolarHBondContact O-N 3.37Å; L649-I651 VanDerWaalsContact C-N 3.33Å; L649-I651 PolarHBondContact O-N 2.84Å; I651-N654 PolarHBondContact O-N 3.14Å; I651-Q655 WeakPolarHBondContact O-CG 3.2Å; I651-Q655 PolarHBondContact O-N 3.36Å |
| 652 | M | 86.7 | Confident | 84.9 | Confident | 84 Ų | 84 | 99.2 Ų | 99.2 | 41% | 0.414 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.7 | -41.5 | 176.1 | -78.3 | -173.9 | -80.8 | 0 | 0 | 112.7 | N648 L649 N654 Q655 L656 | N648-M652 PolarHBondContact O-N 3.14Å; L649-M652 HydrophobicContact CD2-CE 4.11Å; L649-M652 PolarHBondContact O-N 2.99Å; M652-N654 VanDerWaalsContact C-N 3.34Å; M652-N654 PolarHBondContact O-N 2.87Å; M652-Q655 PolarHBondContact O-N 2.98Å; M652-L656 WeakPolarHBondContact O-CB 3.43Å; M652-L656 WeakPolarHBondContact O-CG 3.48Å; M652-L656 PolarHBondContact O-N 3.39Å |
| 653 | V | 88.3 | Confident | 84.3 | Confident | 86 Ų | 86 | 106.1 Ų | 106.1 | 52% | 0.521 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.7 | -39.3 | 175.8 | 168.9 | 0 | 0 | 0 | 0 | 111.1 | L649 E650 S657 | L649-V653 WeakPolarHBondContact O-CB 3.3Å; L649-V653 VanDerWaalsContact O-CG2 3.32Å; L649-V653 WeakPolarHBondContact O-CG2 3.46Å; L649-V653 PolarHBondContact O-N 3.48Å; E650-V653 PolarHBondContact O-N 3.16Å; V653-S657 VanDerWaalsContact O-CB 3.27Å; V653-S657 WeakPolarHBondContact O-CB 3.49Å; V653-S657 PolarHBondContact O-N 3.33Å; V653-S657 PolarHBondContact O-OG 3.48Å |
| 654 | N | 85.7 | Confident | 83.5 | Confident | 101 Ų | 101 | 105 Ų | 105 | 54% | 0.54 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.3 | -37.1 | 174.1 | -81.3 | -67.1 | 0 | 0 | 0 | 112.7 | E650 I651 M652 K658 | E650-N654 WeakPolarHBondContact O-CB 3.5Å; E650-N654 PolarHBondContact O-N 3.01Å; E650-N654 PolarHBondContact O-ND2 2.91Å; I651-N654 PolarHBondContact O-N 3.14Å; M652-N654 VanDerWaalsContact C-N 3.34Å; M652-N654 PolarHBondContact O-N 2.87Å; N654-K658 WeakPolarHBondContact O-CG 3.08Å; N654-K658 PolarHBondContact O-N 3.16Å |
| 655 | Q | 86 | Confident | 82.5 | Confident | 111 Ų | 111 | 108.1 Ų | 108.1 | 52% | 0.519 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.9 | -45.6 | 173.6 | -73.9 | 175.5 | 3.3 | 0 | 0 | 111.8 | I651 M652 S657 K658 Q659 | I651-Q655 WeakPolarHBondContact O-CG 3.2Å; I651-Q655 PolarHBondContact O-N 3.36Å; M652-Q655 PolarHBondContact O-N 2.98Å; Q655-S657 VanDerWaalsContact C-N 3.35Å; Q655-K658 PolarHBondContact O-N 3.22Å; Q655-Q659 WeakPolarHBondContact O-CG 3.43Å; Q655-Q659 PolarHBondContact O-N 2.84Å |
| 656 | L | 86 | Confident | 80.9 | Confident | 98 Ų | 98 | 106.2 Ų | 106.2 | 51% | 0.513 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.3 | -39.8 | 175.3 | -73.5 | 169.2 | 0 | 0 | 0 | 111.6 | M652 Q659 L660 | M652-L656 WeakPolarHBondContact O-CB 3.43Å; M652-L656 WeakPolarHBondContact O-CG 3.48Å; M652-L656 PolarHBondContact O-N 3.39Å; L656-Q659 PolarHBondContact O-N 3.49Å; L656-L660 WeakPolarHBondContact O-CB 3.1Å; L656-L660 WeakPolarHBondContact O-CG 3.43Å; L656-L660 PolarHBondContact O-N 3.06Å |
| 657 | S | 83.7 | Confident | 79.2 | Confident | 59 Ų | 59 | 109.1 Ų | 109.1 | 41% | 0.413 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 173.8 | -60.5 | 0 | 0 | 0 | 0 | 111.2 | V653 Q655 L660 E661 | V653-S657 VanDerWaalsContact O-CB 3.27Å; V653-S657 WeakPolarHBondContact O-CB 3.49Å; V653-S657 PolarHBondContact O-N 3.33Å; V653-S657 PolarHBondContact O-OG 3.48Å; Q655-S657 VanDerWaalsContact C-N 3.35Å; S657-L660 PolarHBondContact O-N 3.27Å; S657-E661 WeakPolarHBondContact O-CB 3.27Å; S657-E661 PolarHBondContact O-N 2.91Å |
| 658 | K | 83 | Confident | 77.4 | Confident | 142 Ų | 142 | 106 Ų | 106 | 62% | 0.617 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.2 | -40 | 173.5 | -76.6 | 177.8 | 178.1 | 178.7 | 0 | 112.8 | N654 Q655 E661 Q662 | N654-K658 WeakPolarHBondContact O-CG 3.08Å; N654-K658 PolarHBondContact O-N 3.16Å; Q655-K658 PolarHBondContact O-N 3.22Å; K658-E661 PolarHBondContact O-N 2.89Å; K658-Q662 WeakPolarHBondContact O-CB 3.35Å; K658-Q662 VanDerWaalsContact O-CG 3.25Å; K658-Q662 WeakPolarHBondContact O-CG 3.44Å; K658-Q662 PolarHBondContact O-N 2.91Å |
| 659 | Q | 79.5 | Confident | 75.2 | Confident | 111 Ų | 111 | 108.9 Ų | 108.9 | 52% | 0.519 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.7 | -37.2 | 175.3 | -74.1 | -172.4 | 6.8 | 0 | 0 | 112.5 | Q655 L656 R663 | Q655-Q659 WeakPolarHBondContact O-CG 3.43Å; Q655-Q659 PolarHBondContact O-N 2.84Å; L656-Q659 PolarHBondContact O-N 3.49Å; Q659-R663 WeakPolarHBondContact O-CB 3.18Å; Q659-R663 WeakPolarHBondContact O-CG 3.12Å; Q659-R663 PolarHBondContact O-N 3.15Å |
| 660 | L | 77.9 | Confident | 72.5 | Confident | 119 Ų | 119 | 106.5 Ų | 106.5 | 62% | 0.623 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -68.3 | -38.7 | 173.8 | -76.9 | 168.8 | 0 | 0 | 0 | 111.6 | L656 S657 R663 S664 | L656-L660 WeakPolarHBondContact O-CB 3.1Å; L656-L660 WeakPolarHBondContact O-CG 3.43Å; L656-L660 PolarHBondContact O-N 3.06Å; S657-L660 PolarHBondContact O-N 3.27Å; L660-R663 PolarHBondContact O-N 3.01Å; L660-S664 WeakPolarHBondContact O-CB 3.31Å; L660-S664 PolarHBondContact O-N 3.42Å |
| 661 | E | 78 | Confident | 69.8 | Low | 103 Ų | 103 | 108.8 Ų | 108.8 | 48% | 0.481 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -70.2 | -36.8 | 175.6 | -157 | -168.2 | 155.9 | 0 | 0 | 111.6 | S657 K658 S664 K665 | S657-E661 WeakPolarHBondContact O-CB 3.27Å; S657-E661 PolarHBondContact O-N 2.91Å; K658-E661 PolarHBondContact O-N 2.89Å; E661-S664 PolarHBondContact O-N 3.41Å; E661-K665 WeakPolarHBondContact O-CB 3.3Å; E661-K665 VanDerWaalsContact O-CG 3.27Å; E661-K665 WeakPolarHBondContact O-CG 3.12Å; E661-K665 PolarHBondContact O-N 3.46Å; E661-K665 VanDerWaalsContact OE1-CE 3.29Å; E661-K665 WeakPolarHBondContact OE1-CE 3.37Å; E661-K665 IonicContact OE1-NZ 3.73Å; E661-K665 PolarHBondContact OE1-NZ 2.83Å |
| 662 | Q | 74.8 | Confident | 67.1 | Low | 123 Ų | 123 | 107.5 Ų | 107.5 | 58% | 0.575 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64 | -47.7 | 169.7 | -77 | 173.5 | -13.8 | 0 | 0 | 111.5 | K658 S664 K665 L666 | K658-Q662 WeakPolarHBondContact O-CB 3.35Å; K658-Q662 VanDerWaalsContact O-CG 3.25Å; K658-Q662 WeakPolarHBondContact O-CG 3.44Å; K658-Q662 PolarHBondContact O-N 2.91Å; Q662-S664 VanDerWaalsContact C-N 3.32Å; Q662-S664 PolarHBondContact O-N 3.36Å; Q662-K665 PolarHBondContact O-N 2.76Å; Q662-L666 WeakPolarHBondContact O-CG 3.36Å; Q662-L666 PolarHBondContact O-N 3.13Å |
| 663 | R | 72.2 | Confident | 64.4 | Low | 178 Ų | 178 | 110.5 Ų | 110.5 | 67% | 0.672 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -62.5 | -37.5 | 174.7 | -82.8 | -174.3 | 161.4 | -159.4 | -6.6 | 112.2 | Q659 L660 L666 L667 | Q659-R663 WeakPolarHBondContact O-CB 3.18Å; Q659-R663 WeakPolarHBondContact O-CG 3.12Å; Q659-R663 PolarHBondContact O-N 3.15Å; L660-R663 PolarHBondContact O-N 3.01Å; R663-L666 PolarHBondContact O-N 3.24Å; R663-L667 WeakPolarHBondContact O-CB 3.31Å; R663-L667 WeakPolarHBondContact O-CD1 3.48Å; R663-L667 VanDerWaalsContact O-CG 3.23Å; R663-L667 WeakPolarHBondContact O-CG 3.45Å; R663-L667 PolarHBondContact O-N 3Å |
| 664 | S | 71.8 | Confident | 61.7 | Low | 70 Ų | 70 | 113.7 Ų | 113.7 | 49% | 0.49 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -62.9 | -43.9 | 173.9 | 177.5 | 0 | 0 | 0 | 0 | 111.4 | L660 E661 Q662 L666 L667 A668 | L660-S664 WeakPolarHBondContact O-CB 3.31Å; L660-S664 PolarHBondContact O-N 3.42Å; E661-S664 PolarHBondContact O-N 3.41Å; Q662-S664 VanDerWaalsContact C-N 3.32Å; Q662-S664 PolarHBondContact O-N 3.36Å; S664-L666 VanDerWaalsContact C-N 3.35Å; S664-L666 PolarHBondContact O-N 2.93Å; S664-L667 PolarHBondContact O-N 3.07Å; S664-A668 WeakPolarHBondContact O-CB 3.41Å; S664-A668 PolarHBondContact O-N 2.69Å |
| 665 | K | 63.8 | Low | 59.2 | Low | 117 Ų | 117 | 116.8 Ų | 116.8 | 51% | 0.509 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -67.7 | -31.4 | 175.6 | -72 | 166.5 | -174.2 | 171.9 | 0 | 113.1 | E661 Q662 N669 | E661-K665 WeakPolarHBondContact O-CB 3.3Å; E661-K665 VanDerWaalsContact O-CG 3.27Å; E661-K665 WeakPolarHBondContact O-CG 3.12Å; E661-K665 PolarHBondContact O-N 3.46Å; E661-K665 VanDerWaalsContact OE1-CE 3.29Å; E661-K665 WeakPolarHBondContact OE1-CE 3.37Å; E661-K665 IonicContact OE1-NZ 3.73Å; E661-K665 PolarHBondContact OE1-NZ 2.83Å; Q662-K665 PolarHBondContact O-N 2.76Å; K665-N669 WeakPolarHBondContact O-CB 3.28Å; K665-N669 PolarHBondContact O-N 3.08Å |
| 666 | L | 55.1 | Low | 56.6 | Low | 121 Ų | 121 | 118.3 Ų | 118.3 | 63% | 0.634 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -73.1 | -40.7 | 172.3 | -71 | 166.3 | 0 | 0 | 0 | 112.1 | Q662 R663 S664 N669 G670 | Q662-L666 WeakPolarHBondContact O-CG 3.36Å; Q662-L666 PolarHBondContact O-N 3.13Å; R663-L666 PolarHBondContact O-N 3.24Å; S664-L666 VanDerWaalsContact C-N 3.35Å; S664-L666 PolarHBondContact O-N 2.93Å; L666-N669 CarbonylContact O-C 3.22Å; L666-N669 VanDerWaalsContact O-C 3.22Å; L666-N669 PolarHBondContact O-N 3.43Å; L666-G670 WeakPolarHBondContact O-CA 3.28Å; L666-G670 PolarHBondContact O-N 2.93Å |
| 667 | L | 52.6 | Low | 54.1 | Low | 140 Ų | 140 | 122.5 Ų | 122.5 | 73% | 0.733 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -69.6 | -31.5 | 175.9 | -73.2 | 165.4 | 0 | 0 | 0 | 112.6 | R663 S664 N669 | R663-L667 WeakPolarHBondContact O-CB 3.31Å; R663-L667 WeakPolarHBondContact O-CD1 3.48Å; R663-L667 VanDerWaalsContact O-CG 3.23Å; R663-L667 WeakPolarHBondContact O-CG 3.45Å; R663-L667 PolarHBondContact O-N 3Å; S664-L667 PolarHBondContact O-N 3.07Å; L667-N669 VanDerWaalsContact C-N 3.31Å |
| 668 | A | 48.2 | Very low | 51.6 | Low | 77 Ų | 77 | 129.2 Ų | 129.2 | 64% | 0.636 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -69.7 | -28.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S664 | S664-A668 WeakPolarHBondContact O-CB 3.41Å; S664-A668 PolarHBondContact O-N 2.69Å |
| 669 | N | 42.5 | Very low | 49.1 | Very low | 148 Ų | 148 | 125.8 Ų | 125.8 | 79% | 0.791 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.6 | 42.6 | -177.9 | -65.5 | -18.1 | 0 | 0 | 0 | 111.5 | K665 L666 L667 | K665-N669 WeakPolarHBondContact O-CB 3.28Å; K665-N669 PolarHBondContact O-N 3.08Å; L666-N669 CarbonylContact O-C 3.22Å; L666-N669 VanDerWaalsContact O-C 3.22Å; L666-N669 PolarHBondContact O-N 3.43Å; L667-N669 VanDerWaalsContact C-N 3.31Å |
| 670 | G | 31.7 | Very low | 47.2 | Very low | 53 Ų | 53 | 129.6 Ų | 129.6 | 55% | 0.546 | 71% | 0.706 | S | S | . | * | trans | -149.1 | 38.2 | -164.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | L666 G672 | L666-G670 WeakPolarHBondContact O-CA 3.28Å; L666-G670 PolarHBondContact O-N 2.93Å; G670-G672 PolarHBondContact O-N 2.83Å | ||
| 671 | V | 31.2 | Very low | 45.1 | Very low | 155 Ų | 155 | 130.1 Ų | 130.1 | 94% | 0.939 | 71% | 0.71 | S | S | * | * | trans | -88.3 | 93.9 | 168.6 | -178.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 672 | G | 30.7 | Very low | 43.5 | Very low | 61 Ų | 61 | 131.9 Ų | 131.9 | 63% | 0.629 | 72% | 0.722 | S | S | * | * | trans | 170.5 | 85.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | G670 | G670-G672 PolarHBondContact O-N 2.83Š| ||
| 673 | N | 29.6 | Very low | 42.1 | Very low | 148 Ų | 148 | 132.6 Ų | 132.6 | 79% | 0.791 | 73% | 0.726 | S | S | * | * | trans | 72 | 154.5 | 145 | -69.2 | 22.5 | 0 | 0 | 0 | 122.7 | ||||
| 674 | D | 32.5 | Very low | 41.1 | Very low | 153 Ų | 153 | 131.9 Ų | 131.9 | 82% | 0.818 | 73% | 0.727 | S | S | * | * | trans | 76.2 | 147 | 158.5 | -56.3 | -16.9 | 0 | 0 | 0 | 119.9 | ||||
| 675 | E | 32.2 | Very low | 40 | Very low | 166 Ų | 166 | 133 Ų | 133 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | trans | -117.1 | 175.1 | -155.2 | -57.1 | 174.5 | 142.2 | 0 | 0 | 111.7 | ||||
| 676 | N | 32.3 | Very low | 39.7 | Very low | 143 Ų | 143 | 131.7 Ų | 131.7 | 77% | 0.765 | 73% | 0.729 | S | S | * | * | trans | 76.4 | 153.6 | 175.7 | -40.8 | -73.9 | 0 | 0 | 0 | 113.9 | ||||
| 677 | E | 32.2 | Very low | 39.7 | Very low | 185 Ų | 185 | 131.9 Ų | 131.9 | 86% | 0.864 | 73% | 0.725 | S | S | * | * | cis | -142.9 | 152.6 | 12.8 | -153.9 | 161.4 | -117.4 | 0 | 0 | 111.1 | ||||
| 678 | E | 32 | Very low | 39.9 | Very low | 200 Ų | 200 | 128.3 Ų | 128.3 | 94% | 0.935 | 71% | 0.709 | S | S | * | * | trans | -95.5 | 150.2 | -179.3 | -61 | -176 | 120.7 | 0 | 0 | 112.4 | ||||
| 679 | G | 31.2 | Very low | 40.8 | Very low | 71 Ų | 71 | 130 Ų | 130 | 73% | 0.732 | 70% | 0.702 | S | S | * | * | trans | 152.8 | 144.2 | 158.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 680 | Q | 37.8 | Very low | 41.9 | Very low | 191 Ų | 191 | 128.6 Ų | 128.6 | 89% | 0.893 | 69% | 0.691 | S | S | * | * | trans | 95.6 | 82.7 | 174.3 | -57.9 | -175.4 | -2.9 | 0 | 0 | 117.1 | ||||
| 681 | N | 35 | Very low | 43.7 | Very low | 130 Ų | 130 | 131 Ų | 131 | 70% | 0.695 | 69% | 0.691 | S | S | * | * | trans | -123.9 | -12.8 | 173.3 | -89.4 | -44.7 | 0 | 0 | 0 | 115.4 | E683 | N681-E683 PolarHBondContact O-N 3.06Š| ||
| 682 | D | 44.3 | Very low | 45.6 | Very low | 139 Ų | 139 | 128.1 Ų | 128.1 | 74% | 0.743 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -21.5 | -159.2 | -51 | -66.7 | 0 | 0 | 0 | 115.8 | K684 | D682-K684 VanDerWaalsContact C-N 3.27Å; D682-K684 PolarHBondContact O-N 2.98Å |
| 683 | E | 46.1 | Very low | 47.8 | Very low | 139 Ų | 139 | 128.8 Ų | 128.8 | 65% | 0.65 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -20.1 | -175.1 | -151.3 | -153 | 125.1 | 0 | 0 | 113.7 | N681 K687 | N681-E683 PolarHBondContact O-N 3.06Å; E683-K687 IonicContact OE1-NZ 2.76Å; E683-K687 PolarHBondContact OE1-NZ 2.96Å |
| 684 | K | 49.9 | Very low | 49.9 | Very low | 162 Ų | 162 | 127.7 Ų | 127.7 | 70% | 0.704 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -78.2 | -26.5 | -176.8 | -70.3 | 175.9 | -178.7 | 166 | 0 | 113 | D682 V686 | D682-K684 VanDerWaalsContact C-N 3.27Å; D682-K684 PolarHBondContact O-N 2.98Å; K684-V686 VanDerWaalsContact C-N 3.31Å; K684-V686 PolarHBondContact O-N 3.35Å |
| 685 | D | 49.1 | Very low | 51.8 | Low | 94 Ų | 94 | 124.9 Ų | 124.9 | 50% | 0.503 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -88.2 | 4.4 | -173 | -160.1 | 43.3 | 0 | 0 | 0 | 113.8 | T688 K689 | D685-T688 WeakPolarHBondContact CA-OG1 3.34Å; D685-T688 PolarHBondContact O-OG1 2.93Å; D685-T688 PolarHBondContact OD1-OG1 3.49Å; D685-K689 PolarHBondContact O-NZ 3.04Å; D685-K689 IonicContact OD1-NZ 3.86Å; D685-K689 IonicContact OD2-NZ 3.08Å; D685-K689 PolarHBondContact OD2-NZ 2.87Å |
| 686 | V | 56.6 | Low | 54 | Low | 89 Ų | 89 | 122.9 Ų | 122.9 | 54% | 0.539 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -91.3 | -50.3 | 169.9 | -178.7 | 0 | 0 | 0 | 0 | 110.4 | K684 T688 K689 E690 | K684-V686 VanDerWaalsContact C-N 3.31Å; K684-V686 PolarHBondContact O-N 3.35Å; V686-T688 PolarHBondContact O-N 3.26Å; V686-K689 WeakPolarHBondContact O-CB 3.11Å; V686-K689 PolarHBondContact O-N 2.85Å; V686-E690 PolarHBondContact O-N 3.36Å |
| 687 | K | 56.6 | Low | 56 | Low | 126 Ų | 126 | 121.3 Ų | 121.3 | 55% | 0.548 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -61.6 | -28.3 | -178.9 | -71.7 | 164.2 | 175.4 | 162.5 | 0 | 113 | E683 K689 L691 | E683-K687 IonicContact OE1-NZ 2.76Å; E683-K687 PolarHBondContact OE1-NZ 2.96Å; K687-K689 VanDerWaalsContact C-N 3.32Å; K687-L691 PolarHBondContact O-N 2.83Å |
| 688 | T | 56.4 | Low | 58.1 | Low | 64 Ų | 64 | 117.8 Ų | 117.8 | 39% | 0.393 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -66.3 | -30.2 | 171.8 | 48.1 | 0 | 0 | 0 | 0 | 113.2 | D685 V686 I692 | D685-T688 WeakPolarHBondContact CA-OG1 3.34Å; D685-T688 PolarHBondContact O-OG1 2.93Å; D685-T688 PolarHBondContact OD1-OG1 3.49Å; V686-T688 PolarHBondContact O-N 3.26Å; T688-I692 WeakPolarHBondContact O-CD1 3.31Å; T688-I692 VanDerWaalsContact O-CG1 3.29Å; T688-I692 WeakPolarHBondContact O-CG1 3.4Å; T688-I692 PolarHBondContact O-N 3.2Å |
| 689 | K | 66.4 | Low | 60.2 | Low | 114 Ų | 114 | 112.7 Ų | 112.7 | 50% | 0.496 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -83.8 | -37.7 | -176.2 | -63.3 | -173.6 | -179.8 | 87.9 | 0 | 112.4 | D685 V686 K687 I692 T693 | D685-K689 PolarHBondContact O-NZ 3.04Å; D685-K689 IonicContact OD1-NZ 3.86Å; D685-K689 IonicContact OD2-NZ 3.08Å; D685-K689 PolarHBondContact OD2-NZ 2.87Å; V686-K689 WeakPolarHBondContact O-CB 3.11Å; V686-K689 PolarHBondContact O-N 2.85Å; K687-K689 VanDerWaalsContact C-N 3.32Å; K689-I692 PolarHBondContact O-N 3.45Å; K689-T693 PolarHBondContact O-N 3.18Å |
| 690 | E | 66.2 | Low | 62.5 | Low | 118 Ų | 118 | 111.7 Ų | 111.7 | 55% | 0.551 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -60.7 | -47 | 172.9 | -70.1 | 178.3 | 124.1 | 0 | 0 | 111.3 | V686 I692 T693 E694 | V686-E690 PolarHBondContact O-N 3.36Å; E690-I692 VanDerWaalsContact C-N 3.27Å; E690-I692 PolarHBondContact O-N 2.9Å; E690-T693 WeakPolarHBondContact CA-OG1 3.38Å; E690-T693 WeakPolarHBondContact O-CA 3.41Å; E690-T693 PolarHBondContact O-N 3.42Å; E690-T693 PolarHBondContact O-OG1 3.46Å; E690-E694 PolarHBondContact O-N 3.17Å |
| 691 | L | 70 | Confident | 64.5 | Low | 103 Ų | 103 | 107 Ų | 107 | 54% | 0.539 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -58.5 | -36.7 | 177.9 | -167.9 | 72.4 | 0 | 0 | 0 | 112.9 | K687 T693 L695 | K687-L691 PolarHBondContact O-N 2.83Å; L691-T693 VanDerWaalsContact C-N 3.34Å; L691-L695 HydrophobicContact CG-CD1 4.44Å; L691-L695 WeakPolarHBondContact O-CG 3.39Å; L691-L695 PolarHBondContact O-N 3.38Å; L691-L695 VanDerWaalsContact O-N 3.16Å |
| 692 | I | 71.5 | Confident | 66.5 | Low | 94 Ų | 94 | 106.3 Ų | 106.3 | 48% | 0.482 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.8 | -35.9 | 175.1 | -70.8 | 166.5 | 0 | 0 | 0 | 111.2 | T688 K689 E690 Q696 | T688-I692 WeakPolarHBondContact O-CD1 3.31Å; T688-I692 VanDerWaalsContact O-CG1 3.29Å; T688-I692 WeakPolarHBondContact O-CG1 3.4Å; T688-I692 PolarHBondContact O-N 3.2Å; K689-I692 PolarHBondContact O-N 3.45Å; E690-I692 VanDerWaalsContact C-N 3.27Å; E690-I692 PolarHBondContact O-N 2.9Å; I692-Q696 VanDerWaalsContact O-CG 3.32Å; I692-Q696 WeakPolarHBondContact O-CG 3.27Å; I692-Q696 PolarHBondContact O-N 2.88Å; I692-Q696 VanDerWaalsContact O-N 3.17Å |
| 693 | T | 74.8 | Confident | 68.3 | Low | 76 Ų | 76 | 107.4 Ų | 107.4 | 47% | 0.466 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -74.3 | -33 | 177.5 | 50.5 | 0 | 0 | 0 | 0 | 113.6 | K689 E690 L691 Q696 N697 | K689-T693 PolarHBondContact O-N 3.18Å; E690-T693 WeakPolarHBondContact CA-OG1 3.38Å; E690-T693 WeakPolarHBondContact O-CA 3.41Å; E690-T693 PolarHBondContact O-N 3.42Å; E690-T693 PolarHBondContact O-OG1 3.46Å; L691-T693 VanDerWaalsContact C-N 3.34Å; T693-Q696 PolarHBondContact O-N 2.89Å; T693-N697 PolarHBondContact O-N 3.2Å; T693-N697 PolarHBondContact O-ND2 3Å |
| 694 | E | 73.8 | Confident | 69.8 | Low | 124 Ų | 124 | 104.8 Ų | 104.8 | 58% | 0.579 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.8 | -48.9 | 173 | -68.9 | -175.1 | 126.5 | 0 | 0 | 111.2 | E690 Q696 N697 E698 | E690-E694 PolarHBondContact O-N 3.17Å; E694-Q696 PolarHBondContact O-N 2.82Å; E694-N697 WeakPolarHBondContact O-CB 3.44Å; E694-N697 PolarHBondContact O-N 2.75Å; E694-E698 PolarHBondContact O-N 3.45Å; E694-E698 VanDerWaalsContact O-N 3.1Å |
| 695 | L | 74.3 | Confident | 71.3 | Confident | 94 Ų | 94 | 101.6 Ų | 101.6 | 49% | 0.492 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59 | -31.9 | 176.2 | -72.2 | 169.2 | 0 | 0 | 0 | 113 | L691 L699 | L691-L695 HydrophobicContact CG-CD1 4.44Å; L691-L695 WeakPolarHBondContact O-CG 3.39Å; L691-L695 PolarHBondContact O-N 3.38Å; L691-L695 VanDerWaalsContact O-N 3.16Å; L695-L699 WeakPolarHBondContact O-CB 3.35Å; L695-L699 PolarHBondContact O-N 3.33Å; L695-L699 VanDerWaalsContact O-N 3.11Å |
| 696 | Q | 76.5 | Confident | 72.6 | Confident | 124 Ų | 124 | 101 Ų | 101 | 58% | 0.579 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -70.6 | -32.9 | 174.3 | -78 | -179.8 | 7.9 | 0 | 0 | 113.2 | I692 T693 E694 A700 | I692-Q696 VanDerWaalsContact O-CG 3.32Å; I692-Q696 WeakPolarHBondContact O-CG 3.27Å; I692-Q696 PolarHBondContact O-N 2.88Å; I692-Q696 VanDerWaalsContact O-N 3.17Å; T693-Q696 PolarHBondContact O-N 2.89Å; E694-Q696 PolarHBondContact O-N 2.82Å; Q696-A700 PolarHBondContact O-N 3.45Å |
| 697 | N | 76.1 | Confident | 73.7 | Confident | 110 Ų | 110 | 100.9 Ų | 100.9 | 59% | 0.588 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -72.4 | -40.3 | 175.9 | -75 | -35.2 | 0 | 0 | 0 | 111.9 | T693 E694 L699 A700 T701 | T693-N697 PolarHBondContact O-N 3.2Å; T693-N697 PolarHBondContact O-ND2 3Å; E694-N697 WeakPolarHBondContact O-CB 3.44Å; E694-N697 PolarHBondContact O-N 2.75Å; N697-L699 VanDerWaalsContact C-N 3.33Å; N697-L699 PolarHBondContact O-N 2.81Å; N697-A700 WeakPolarHBondContact O-CB 3.49Å; N697-A700 PolarHBondContact O-N 2.89Å; N697-T701 PolarHBondContact O-N 2.9Å; N697-T701 VanDerWaalsContact O-N 3.08Å |
| 698 | E | 76.2 | Confident | 74.9 | Confident | 111 Ų | 111 | 100.5 Ų | 100.5 | 52% | 0.519 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.8 | -40.7 | 171.3 | -67.3 | -170.4 | 128.3 | 0 | 0 | 111.7 | E694 A700 T701 H702 | E694-E698 PolarHBondContact O-N 3.45Å; E694-E698 VanDerWaalsContact O-N 3.1Å; E698-A700 PolarHBondContact O-N 3.5Å; E698-A700 VanDerWaalsContact O-N 3.16Å; E698-T701 PolarHBondContact O-N 2.85Å; E698-T701 PolarHBondContact O-OG1 3.37Å; E698-H702 PolarHBondContact O-CD2 3.17Å; E698-H702 PolarHBondContact O-N 2.82Å |
| 699 | L | 75.4 | Confident | 75.6 | Confident | 93 Ų | 93 | 101.4 Ų | 101.4 | 49% | 0.487 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66 | -13.4 | 173.6 | -113 | 165.9 | 0 | 0 | 0 | 114 | L695 N697 R703 | L695-L699 WeakPolarHBondContact O-CB 3.35Å; L695-L699 PolarHBondContact O-N 3.33Å; L695-L699 VanDerWaalsContact O-N 3.11Å; N697-L699 VanDerWaalsContact C-N 3.33Å; N697-L699 PolarHBondContact O-N 2.81Å; L699-R703 VanDerWaalsContact O-CD 3.31Å; L699-R703 WeakPolarHBondContact O-CD 3.39Å; L699-R703 VanDerWaalsContact O-CG 3.27Å; L699-R703 WeakPolarHBondContact O-CG 3.35Å; L699-R703 PolarHBondContact O-NH1 3.15Å |
| 700 | A | 79.7 | Confident | 76.1 | Confident | 51 Ų | 51 | 104.2 Ų | 104.2 | 42% | 0.421 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -87.1 | -46.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q696 N697 E698 H702 R703 D704 | Q696-A700 PolarHBondContact O-N 3.45Å; N697-A700 WeakPolarHBondContact O-CB 3.49Å; N697-A700 PolarHBondContact O-N 2.89Å; E698-A700 PolarHBondContact O-N 3.5Å; E698-A700 VanDerWaalsContact O-N 3.16Å; A700-H702 PolarHBondContact O-N 3.31Å; A700-R703 PolarHBondContact O-N 2.76Å; A700-D704 PolarHBondContact O-N 2.97Å |
| 701 | T | 79.2 | Confident | 76.8 | Confident | 91 Ų | 91 | 105 Ų | 105 | 56% | 0.558 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.5 | -40.2 | 179.6 | 57.5 | 0 | 0 | 0 | 0 | 112.2 | N697 E698 R703 D704 L705 | N697-T701 PolarHBondContact O-N 2.9Å; N697-T701 VanDerWaalsContact O-N 3.08Å; E698-T701 PolarHBondContact O-N 2.85Å; E698-T701 PolarHBondContact O-OG1 3.37Å; T701-R703 VanDerWaalsContact C-N 3.34Å; T701-R703 PolarHBondContact O-N 2.81Å; T701-D704 PolarHBondContact O-N 3.22Å; T701-L705 PolarHBondContact O-N 2.72Å; T701-L705 VanDerWaalsContact O-N 3.07Å |
| 702 | H | 76.7 | Confident | 76.9 | Confident | 117 Ų | 117 | 106.5 Ų | 106.5 | 54% | 0.542 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.5 | -36.6 | 174.5 | -75.8 | -59.1 | 0 | 0 | 0 | 113.1 | E698 A700 L705 V706 | E698-H702 PolarHBondContact O-CD2 3.17Å; E698-H702 PolarHBondContact O-N 2.82Å; A700-H702 PolarHBondContact O-N 3.31Å; H702-L705 PolarHBondContact O-N 2.84Å; H702-V706 WeakPolarHBondContact O-CG2 3.35Å; H702-V706 PolarHBondContact O-N 3.38Å; H702-V706 VanDerWaalsContact O-N 3.08Å |
| 703 | R | 81.7 | Confident | 76.8 | Confident | 161 Ų | 161 | 105.3 Ų | 105.3 | 61% | 0.608 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.8 | -43.2 | 176.6 | -77.2 | 176.2 | 178.3 | 122.5 | -9.6 | 111.8 | L699 A700 T701 L705 V706 V707 | L699-R703 VanDerWaalsContact O-CD 3.31Å; L699-R703 WeakPolarHBondContact O-CD 3.39Å; L699-R703 VanDerWaalsContact O-CG 3.27Å; L699-R703 WeakPolarHBondContact O-CG 3.35Å; L699-R703 PolarHBondContact O-NH1 3.15Å; A700-R703 PolarHBondContact O-N 2.76Å; T701-R703 VanDerWaalsContact C-N 3.34Å; T701-R703 PolarHBondContact O-N 2.81Å; R703-L705 VanDerWaalsContact C-N 3.33Å; R703-L705 PolarHBondContact O-N 3.23Å; R703-V706 PolarHBondContact O-N 3.06Å; R703-V707 WeakPolarHBondContact O-CG2 3.28Å; R703-V707 PolarHBondContact O-N 3.39Å |
| 704 | D | 79.5 | Confident | 76.8 | Confident | 84 Ų | 84 | 106.4 Ų | 106.4 | 45% | 0.449 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.3 | -36.3 | 179.1 | -170.4 | 59.6 | 0 | 0 | 0 | 112 | A700 T701 V707 K708 | A700-D704 PolarHBondContact O-N 2.97Å; T701-D704 PolarHBondContact O-N 3.22Å; D704-V707 PolarHBondContact O-N 3.03Å; D704-K708 WeakPolarHBondContact O-CG 3.45Å; D704-K708 PolarHBondContact O-N 2.99Å; D704-K708 VanDerWaalsContact O-N 3.13Å; D704-K708 WeakPolarHBondContact OD2-CE 3.47Å; D704-K708 IonicContact OD2-NZ 2.69Å; D704-K708 PolarHBondContact OD2-NZ 3.45Å |
| 705 | L | 79.7 | Confident | 76.9 | Confident | 95 Ų | 95 | 104.3 Ų | 104.3 | 50% | 0.497 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.1 | -41.9 | 173 | -149.5 | 166.4 | 0 | 0 | 0 | 111.8 | T701 H702 R703 V707 K708 L709 | T701-L705 PolarHBondContact O-N 2.72Å; T701-L705 VanDerWaalsContact O-N 3.07Å; H702-L705 PolarHBondContact O-N 2.84Å; R703-L705 VanDerWaalsContact C-N 3.33Å; R703-L705 PolarHBondContact O-N 3.23Å; L705-V707 VanDerWaalsContact C-N 3.32Å; L705-V707 PolarHBondContact O-N 3.43Å; L705-K708 PolarHBondContact O-N 2.73Å; L705-L709 HydrophobicContact CD2-CD1 3.63Å; L705-L709 HydrophobicContact CD2-CG 4.01Å; L705-L709 PolarHBondContact O-N 3.35Å |
| 706 | V | 76.8 | Confident | 76.4 | Confident | 82 Ų | 82 | 103.4 Ų | 103.4 | 50% | 0.497 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.5 | -32.6 | 174.9 | 168.5 | 0 | 0 | 0 | 0 | 112.6 | H702 R703 R710 | H702-V706 WeakPolarHBondContact O-CG2 3.35Å; H702-V706 PolarHBondContact O-N 3.38Å; H702-V706 VanDerWaalsContact O-N 3.08Å; R703-V706 PolarHBondContact O-N 3.06Å; V706-R710 WeakPolarHBondContact O-CB 3.37Å; V706-R710 PolarHBondContact O-N 3.36Å; V706-R710 VanDerWaalsContact O-N 3.16Å |
| 707 | V | 80.8 | Confident | 75.7 | Confident | 87 Ų | 87 | 101.3 Ų | 101.3 | 53% | 0.527 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.3 | -47.6 | 172.7 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | R703 D704 L705 L709 R710 E711 | R703-V707 WeakPolarHBondContact O-CG2 3.28Å; R703-V707 PolarHBondContact O-N 3.39Å; D704-V707 PolarHBondContact O-N 3.03Å; L705-V707 VanDerWaalsContact C-N 3.32Å; L705-V707 PolarHBondContact O-N 3.43Å; V707-L709 PolarHBondContact O-N 2.75Å; V707-R710 WeakPolarHBondContact O-CB 3.18Å; V707-R710 PolarHBondContact O-N 3.28Å; V707-R710 VanDerWaalsContact O-N 3.09Å; V707-E711 PolarHBondContact O-N 3.26Å |
| 708 | K | 81.5 | Confident | 74.9 | Confident | 118 Ų | 118 | 101.5 Ų | 101.5 | 51% | 0.513 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.1 | -40.3 | 178.6 | -72.7 | 161.4 | 178.4 | 165.9 | 0 | 112.7 | D704 L705 R710 E711 Y712 | D704-K708 WeakPolarHBondContact O-CG 3.45Å; D704-K708 PolarHBondContact O-N 2.99Å; D704-K708 VanDerWaalsContact O-N 3.13Å; D704-K708 WeakPolarHBondContact OD2-CE 3.47Å; D704-K708 IonicContact OD2-NZ 2.69Å; D704-K708 PolarHBondContact OD2-NZ 3.45Å; L705-K708 PolarHBondContact O-N 2.73Å; K708-R710 PolarHBondContact O-N 2.9Å; K708-E711 PolarHBondContact O-N 2.87Å; K708-Y712 WeakPolarHBondContact O-CB 3.35Å; K708-Y712 PolarHBondContact O-N 2.69Å |
| 709 | L | 70.4 | Confident | 74.1 | Confident | 82 Ų | 82 | 98.7 Ų | 98.7 | 43% | 0.429 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.8 | -39.7 | 173.1 | -75.8 | 167.7 | 0 | 0 | 0 | 112.5 | L705 V707 Y712 L713 | L705-L709 HydrophobicContact CD2-CD1 3.63Å; L705-L709 HydrophobicContact CD2-CG 4.01Å; L705-L709 PolarHBondContact O-N 3.35Å; V707-L709 PolarHBondContact O-N 2.75Å; L709-Y712 PolarHBondContact O-N 3.29Å; L709-L713 WeakPolarHBondContact O-CB 3.4Å; L709-L713 WeakPolarHBondContact O-CG 3.41Å; L709-L713 PolarHBondContact O-N 3.01Å |
| 710 | R | 77 | Confident | 73.2 | Confident | 174 Ų | 174 | 96.8 Ų | 96.8 | 66% | 0.657 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.5 | -37.8 | 177.4 | -174.3 | 179.3 | -62.8 | -86.2 | -3.9 | 112.2 | V706 V707 K708 S714 | V706-R710 WeakPolarHBondContact O-CB 3.37Å; V706-R710 PolarHBondContact O-N 3.36Å; V706-R710 VanDerWaalsContact O-N 3.16Å; V707-R710 WeakPolarHBondContact O-CB 3.18Å; V707-R710 PolarHBondContact O-N 3.28Å; V707-R710 VanDerWaalsContact O-N 3.09Å; K708-R710 PolarHBondContact O-N 2.9Å; R710-S714 WeakPolarHBondContact O-CB 3.35Å; R710-S714 PolarHBondContact O-N 2.94Å; R710-S714 PolarHBondContact O-OG 3.03Å |
| 711 | E | 80.4 | Confident | 72 | Confident | 135 Ų | 135 | 97.9 Ų | 97.9 | 63% | 0.631 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -69.8 | -39.7 | 175.9 | -170.3 | 168 | -140.6 | 0 | 0 | 111.8 | V707 K708 S714 S715 | V707-E711 PolarHBondContact O-N 3.26Å; K708-E711 PolarHBondContact O-N 2.87Å; E711-S714 PolarHBondContact O-N 3.05Å; E711-S715 PolarHBondContact O-N 2.83Å; E711-S715 PolarHBondContact O-OG 3.16Å |
| 712 | Y | 72.7 | Confident | 70.6 | Confident | 134 Ų | 134 | 99.8 Ų | 99.8 | 53% | 0.525 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.5 | -46.9 | 173.4 | -172.9 | -102.7 | 0 | 0 | 0 | 112.5 | K708 L709 S714 S715 H716 | K708-Y712 WeakPolarHBondContact O-CB 3.35Å; K708-Y712 PolarHBondContact O-N 2.69Å; L709-Y712 PolarHBondContact O-N 3.29Å; Y712-S714 VanDerWaalsContact C-N 3.32Å; Y712-S714 PolarHBondContact O-N 3.31Å; Y712-S715 WeakPolarHBondContact CA-OG 3.41Å; Y712-S715 PolarHBondContact O-N 2.98Å; Y712-S715 PolarHBondContact O-OG 3.46Å; Y712-H716 AromaticContact CD2-CE1 3.78Å; Y712-H716 AromaticContact CD2-ND1 3.87Å; Y712-H716 AromaticContact CE2-CE1 3.39Å; Y712-H716 WeakPolarHBondContact CE2-CE1 3.37Å; Y712-H716 AromaticContact CE2-ND1 3.74Å; Y712-H716 AromaticContact CE2-NE2 3.94Å; Y712-H716 AromaticContact CZ-CE1 3.91Å; Y712-H716 PolarHBondContact O-N 2.92Å; Y712-H716 PolarHBondContact O-ND1 3.4Å |
| 713 | L | 69.4 | Low | 69.3 | Low | 68 Ų | 68 | 98.6 Ų | 98.6 | 36% | 0.356 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.6 | -33.8 | 176.1 | -70.9 | 168.4 | 0 | 0 | 0 | 112.6 | L709 S715 H716 V719 L723 | L709-L713 WeakPolarHBondContact O-CB 3.4Å; L709-L713 WeakPolarHBondContact O-CG 3.41Å; L709-L713 PolarHBondContact O-N 3.01Å; L713-S715 VanDerWaalsContact C-N 3.32Å; L713-S715 PolarHBondContact O-N 3.24Å; L713-H716 CarbonylContact O-C 3.57Å; L713-H716 PolarHBondContact O-N 2.63Å; L713-V719 HydrophobicContact CD2-CG1 4.32Å; L713-L723 HydrophobicContact CD2-CD1 3.78Å |
| 714 | S | 75.3 | Confident | 67.8 | Low | 99 Ų | 99 | 97.9 Ų | 97.9 | 69% | 0.692 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -72.1 | -24.6 | 177.1 | -57.2 | 0 | 0 | 0 | 0 | 113.4 | R710 E711 Y712 | R710-S714 WeakPolarHBondContact O-CB 3.35Å; R710-S714 PolarHBondContact O-N 2.94Å; R710-S714 PolarHBondContact O-OG 3.03Å; E711-S714 PolarHBondContact O-N 3.05Å; Y712-S714 VanDerWaalsContact C-N 3.32Å; Y712-S714 PolarHBondContact O-N 3.31Å |
| 715 | S | 75.7 | Confident | 66.3 | Low | 81 Ų | 81 | 98.3 Ų | 98.3 | 57% | 0.566 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -88.2 | -14.1 | 174.8 | 44.8 | 0 | 0 | 0 | 0 | 113.5 | E711 Y712 L713 | E711-S715 PolarHBondContact O-N 2.83Å; E711-S715 PolarHBondContact O-OG 3.16Å; Y712-S715 WeakPolarHBondContact CA-OG 3.41Å; Y712-S715 PolarHBondContact O-N 2.98Å; Y712-S715 PolarHBondContact O-OG 3.46Å; L713-S715 VanDerWaalsContact C-N 3.32Å; L713-S715 PolarHBondContact O-N 3.24Å |
| 716 | H | 62.9 | Low | 64.2 | Low | 75 Ų | 75 | 99 Ų | 99 | 35% | 0.347 | 53% | 0.534 | S | S | . | . | trans | -121.5 | 67.2 | -178.3 | -62.3 | 76.6 | 0 | 0 | 0 | 111.6 | Y712 L713 D718 V719 S720 | Y712-H716 AromaticContact CD2-CE1 3.78Å; Y712-H716 AromaticContact CD2-ND1 3.87Å; Y712-H716 AromaticContact CE2-CE1 3.39Å; Y712-H716 WeakPolarHBondContact CE2-CE1 3.37Å; Y712-H716 AromaticContact CE2-ND1 3.74Å; Y712-H716 AromaticContact CE2-NE2 3.94Å; Y712-H716 AromaticContact CZ-CE1 3.91Å; Y712-H716 PolarHBondContact O-N 2.92Å; Y712-H716 PolarHBondContact O-ND1 3.4Å; L713-H716 CarbonylContact O-C 3.57Å; L713-H716 PolarHBondContact O-N 2.63Å; H716-D718 PolarHBondContact O-N 2.83Å; H716-V719 HydrophobicContact CB-CB 4.15Å; H716-V719 HydrophobicContact CB-CG2 3.9Å; H716-V719 WeakPolarHBondContact O-CB 3.29Å; H716-V719 PolarHBondContact O-N 3.41Å; H716-S720 PolarHBondContact O-N 2.77Å | ||
| 717 | S | 63.3 | Low | 62.6 | Low | 79 Ų | 79 | 101.6 Ų | 101.6 | 55% | 0.552 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -38.1 | -42.6 | 170.7 | 153 | 0 | 0 | 0 | 0 | 113.6 | V719 S720 S721 | S717-V719 VanDerWaalsContact C-N 3.29Å; S717-V719 PolarHBondContact O-N 3.5Å; S717-S720 WeakPolarHBondContact O-CB 3.26Å; S717-S720 PolarHBondContact O-N 2.8Å; S717-S721 PolarHBondContact O-N 2.7Å; S717-S721 PolarHBondContact O-OG 2.88Å; S717-S721 VanDerWaalsContact O-OG 3.06Å |
| 718 | D | 59 | Low | 60.7 | Low | 114 Ų | 114 | 106.4 Ų | 106.4 | 61% | 0.61 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -77.8 | -17.6 | -170.6 | -49 | -19.5 | 0 | 0 | 0 | 112.2 | H716 S721 Q722 | H716-D718 PolarHBondContact O-N 2.83Å; D718-S721 WeakPolarHBondContact CA-OG 3.33Å; D718-S721 PolarHBondContact O-OG 3.42Å; D718-Q722 VanDerWaalsContact O-CG 3.28Å; D718-Q722 WeakPolarHBondContact O-CG 3.49Å; D718-Q722 PolarHBondContact O-NE2 3.47Å |
| 719 | V | 58.3 | Low | 58.7 | Low | 53 Ų | 53 | 102.9 Ų | 102.9 | 32% | 0.321 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -84.7 | -38.2 | 169.3 | 179.2 | 0 | 0 | 0 | 0 | 110 | L713 H716 S717 S721 Q722 L723 | L713-V719 HydrophobicContact CD2-CG1 4.32Å; H716-V719 HydrophobicContact CB-CB 4.15Å; H716-V719 HydrophobicContact CB-CG2 3.9Å; H716-V719 WeakPolarHBondContact O-CB 3.29Å; H716-V719 PolarHBondContact O-N 3.41Å; S717-V719 VanDerWaalsContact C-N 3.29Å; S717-V719 PolarHBondContact O-N 3.5Å; V719-S721 VanDerWaalsContact C-N 3.31Å; V719-S721 PolarHBondContact O-N 3.35Å; V719-Q722 PolarHBondContact O-N 3.48Å; V719-L723 HydrophobicContact CG1-CD1 4.3Å; V719-L723 PolarHBondContact O-N 3.14Å |
| 720 | S | 56.5 | Low | 56.9 | Low | 53 Ų | 53 | 101.4 Ų | 101.4 | 37% | 0.371 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61.6 | -39.1 | 175.2 | -165.5 | 0 | 0 | 0 | 0 | 112 | H716 S717 Q722 L723 D724 | H716-S720 PolarHBondContact O-N 2.77Å; S717-S720 WeakPolarHBondContact O-CB 3.26Å; S717-S720 PolarHBondContact O-N 2.8Å; S720-Q722 VanDerWaalsContact C-N 3.33Å; S720-L723 PolarHBondContact O-N 3.09Å; S720-D724 PolarHBondContact O-N 3.15Å |
| 721 | S | 54.5 | Low | 55.2 | Low | 73 Ų | 73 | 99.9 Ų | 99.9 | 51% | 0.51 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -76.5 | -16.6 | 177.7 | 49 | 0 | 0 | 0 | 0 | 114 | S717 D718 V719 | S717-S721 PolarHBondContact O-N 2.7Å; S717-S721 PolarHBondContact O-OG 2.88Å; S717-S721 VanDerWaalsContact O-OG 3.06Å; D718-S721 WeakPolarHBondContact CA-OG 3.33Å; D718-S721 PolarHBondContact O-OG 3.42Å; V719-S721 VanDerWaalsContact C-N 3.31Å; V719-S721 PolarHBondContact O-N 3.35Å |
| 722 | Q | 50.2 | Low | 53.4 | Low | 132 Ų | 132 | 99.5 Ų | 99.5 | 62% | 0.617 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -78.4 | -40 | 167.2 | -72.2 | 171.1 | 26.9 | 0 | 0 | 111.5 | D718 V719 S720 D724 S725 | D718-Q722 VanDerWaalsContact O-CG 3.28Å; D718-Q722 WeakPolarHBondContact O-CG 3.49Å; D718-Q722 PolarHBondContact O-NE2 3.47Å; V719-Q722 PolarHBondContact O-N 3.48Å; S720-Q722 VanDerWaalsContact C-N 3.33Å; Q722-D724 VanDerWaalsContact C-N 3.33Å; Q722-D724 PolarHBondContact O-N 3.06Å; Q722-S725 WeakPolarHBondContact O-CB 3.35Å; Q722-S725 PolarHBondContact O-N 3.32Å; Q722-S725 VanDerWaalsContact O-N 3.11Å; Q722-S725 PolarHBondContact O-OG 3.26Å |
| 723 | L | 48.6 | Very low | 51.8 | Low | 92 Ų | 92 | 100.5 Ų | 100.5 | 48% | 0.482 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -60.1 | -37.7 | 177.8 | -78.9 | 162 | 0 | 0 | 0 | 113.4 | L713 V719 S720 S725 A730 | L713-L723 HydrophobicContact CD2-CD1 3.78Å; V719-L723 HydrophobicContact CG1-CD1 4.3Å; V719-L723 PolarHBondContact O-N 3.14Å; S720-L723 PolarHBondContact O-N 3.09Å; L723-S725 PolarHBondContact O-N 2.94Å; L723-S725 VanDerWaalsContact O-N 3.15Å; L723-A730 HydrophobicContact CD2-CB 4.43Å |
| 724 | D | 51.4 | Low | 50.3 | Low | 145 Ų | 145 | 103.7 Ų | 103.7 | 78% | 0.775 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -10.3 | 176.7 | -78.1 | -26.3 | 0 | 0 | 0 | 114.1 | S720 Q722 | S720-D724 PolarHBondContact O-N 3.15Å; Q722-D724 VanDerWaalsContact C-N 3.33Å; Q722-D724 PolarHBondContact O-N 3.06Å |
| 725 | S | 47.8 | Very low | 48.7 | Very low | 93 Ų | 93 | 105.1 Ų | 105.1 | 65% | 0.65 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.2 | -16.5 | -165.7 | 76 | 0 | 0 | 0 | 0 | 116.5 | Q722 L723 | Q722-S725 WeakPolarHBondContact O-CB 3.35Å; Q722-S725 PolarHBondContact O-N 3.32Å; Q722-S725 VanDerWaalsContact O-N 3.11Å; Q722-S725 PolarHBondContact O-OG 3.26Å; L723-S725 PolarHBondContact O-N 2.94Å; L723-S725 VanDerWaalsContact O-N 3.15Å |
| 726 | N | 36.4 | Very low | 46.7 | Very low | 111 Ų | 111 | 106.2 Ų | 106.2 | 59% | 0.594 | 61% | 0.608 | S | S | * | * | trans | -151.3 | 101.5 | -170.7 | -163.3 | -0.2 | 0 | 0 | 0 | 113.9 | Q728 | N726-Q728 VanDerWaalsContact C-N 3.34Å; N726-Q728 PolarHBondContact O-N 3.14Å | ||
| 727 | T | 41.8 | Very low | 45.4 | Very low | 135 Ų | 135 | 108.7 Ų | 108.7 | 83% | 0.828 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | 7.2 | -164.7 | 48.9 | 0 | 0 | 0 | 0 | 116.7 | ||
| 728 | Q | 41.6 | Very low | 43.9 | Very low | 189 Ų | 189 | 112.1 Ų | 112.1 | 88% | 0.883 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.8 | 4.2 | -171.1 | -93.6 | 170.7 | -39.6 | 0 | 0 | 116.5 | N726 | N726-Q728 VanDerWaalsContact C-N 3.34Å; N726-Q728 PolarHBondContact O-N 3.14Å |
| 729 | G | 38.4 | Very low | 42.7 | Very low | 43 Ų | 43 | 114.9 Ų | 114.9 | 44% | 0.443 | 66% | 0.655 | S | S | . | * | S | Bend | trans | -122.6 | 6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | L731 | G729-L731 PolarHBondContact O-N 2.83Š|
| 730 | A | 33.7 | Very low | 41.3 | Very low | 52 Ų | 52 | 119.6 Ų | 119.6 | 43% | 0.43 | 68% | 0.677 | S | S | . | * | trans | -87.1 | -0.9 | -165.2 | 0 | 0 | 0 | 0 | 0 | 116 | L723 | L723-A730 HydrophobicContact CD2-CB 4.43Š| ||
| 731 | L | 40.4 | Very low | 40.1 | Very low | 141 Ų | 141 | 120.5 Ų | 120.5 | 74% | 0.738 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -85.8 | -34.5 | -175.1 | -93.3 | 154.7 | 0 | 0 | 0 | 113.9 | G729 L733 | G729-L731 PolarHBondContact O-N 2.83Å; L731-L733 VanDerWaalsContact C-N 3.32Å; L731-L733 PolarHBondContact O-N 2.92Å |
| 732 | D | 43 | Very low | 39.2 | Very low | 127 Ų | 127 | 125.9 Ų | 125.9 | 68% | 0.679 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -73.2 | -23.2 | -176 | -63.9 | -33.5 | 0 | 0 | 0 | 113.6 | L734 N735 | D732-L734 PolarHBondContact O-N 3.18Å; D732-L734 VanDerWaalsContact O-N 3.09Å; D732-N735 PolarHBondContact O-N 3Å |
| 733 | L | 40.2 | Very low | 38.1 | Very low | 155 Ų | 155 | 125.1 Ų | 125.1 | 81% | 0.812 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -69.4 | -3.4 | -179.6 | -74.2 | 169.3 | 0 | 0 | 0 | 114.3 | L731 | L731-L733 VanDerWaalsContact C-N 3.32Å; L731-L733 PolarHBondContact O-N 2.92Å |
| 734 | L | 37.4 | Very low | 37.3 | Very low | 135 Ų | 135 | 128.2 Ų | 128.2 | 71% | 0.707 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -102.3 | -5.6 | 176.5 | -65.3 | 173.1 | 0 | 0 | 0 | 113.5 | D732 | D732-L734 PolarHBondContact O-N 3.18Å; D732-L734 VanDerWaalsContact O-N 3.09Å |
| 735 | N | 41.7 | Very low | 36.2 | Very low | 130 Ų | 130 | 128.5 Ų | 128.5 | 70% | 0.695 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -108.2 | 36 | -170.8 | -73.5 | -24.1 | 0 | 0 | 0 | 113.9 | D732 | D732-N735 PolarHBondContact O-N 3Š|
| 736 | S | 33 | Very low | 35.3 | Very low | 103 Ų | 103 | 131 Ų | 131 | 72% | 0.72 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -142.3 | 145.7 | 177 | -77.6 | 0 | 0 | 0 | 0 | 113.9 | ||
| 737 | P | 37.1 | Very low | 35 | Very low | 127 Ų | 127 | 134.2 Ų | 134.2 | 83% | 0.825 | 75% | 0.748 | S | S | * | * | trans | -79.1 | 141.8 | -161.9 | -15.4 | 32.3 | 0 | 0 | 0 | 114.6 | L739 | P737-L739 PolarHBondContact O-N 3.36Š| ||
| 738 | I | 30.8 | Very low | 34.4 | Very low | 152 Ų | 152 | 137 Ų | 137 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | trans | -65.3 | 124.4 | 175.4 | -62.9 | 164.3 | 0 | 0 | 0 | 110.5 | I740 | I738-I740 HydrophobicContact CG2-CD1 3.94Å; I738-I740 HydrophobicContact CG2-CG1 3.83Å | ||
| 739 | L | 34.2 | Very low | 33.9 | Very low | 171 Ų | 171 | 136 Ų | 136 | 90% | 0.895 | 75% | 0.748 | S | S | * | * | trans | -121.4 | 108.5 | 171.5 | -111.4 | 170 | 0 | 0 | 0 | 111.6 | P737 | P737-L739 PolarHBondContact O-N 3.36Š| ||
| 740 | I | 29.5 | Very low | 33.4 | Very low | 152 Ų | 152 | 138.1 Ų | 138.1 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | trans | -92.7 | 121 | -175.4 | -69.1 | 158.5 | 0 | 0 | 0 | 109.8 | I738 | I738-I740 HydrophobicContact CG2-CD1 3.94Å; I738-I740 HydrophobicContact CG2-CG1 3.83Å | ||
| 741 | G | 31.3 | Very low | 33.5 | Very low | 72 Ų | 72 | 144.5 Ų | 144.5 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | trans | -136.7 | 19.4 | -156.4 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 742 | K | 34.7 | Very low | 33 | Very low | 187 Ų | 187 | 145.8 Ų | 145.8 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | trans | 55.4 | 107.6 | 160.4 | -66.9 | -177.9 | 179.6 | 176.4 | 0 | 121 | ||||
| 743 | T | 27.9 | Very low | 32.3 | Very low | 115 Ų | 115 | 148.9 Ų | 148.9 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | 54.7 | 124.8 | 127.5 | 62.1 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 744 | N | 31.8 | Very low | 31.7 | Very low | 158 Ų | 158 | 150.9 Ų | 150.9 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | -163.5 | 161.3 | 90.9 | -102.4 | -40.1 | 0 | 0 | 0 | 113.9 | |||||
| 745 | L | 27.9 | Very low | 31.2 | Very low | 150 Ų | 150 | 147.7 Ų | 147.7 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -123.4 | 171.5 | -178.5 | -129.6 | 78.1 | 0 | 0 | 0 | 110.8 | ||||
| 746 | N | 29 | Very low | 30.6 | Very low | 145 Ų | 145 | 147 Ų | 147 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | trans | 71.8 | 106.9 | 165.5 | -55.7 | -25.7 | 0 | 0 | 0 | 118.4 | ||||
| 747 | Q | 30 | Very low | 30.5 | Very low | 179 Ų | 179 | 147.5 Ų | 147.5 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | -147.2 | 101.2 | 124.1 | -139.2 | 173.4 | 22.4 | 0 | 0 | 111.7 | |||||
| 748 | Q | 28.9 | Very low | 30.1 | Very low | 194 Ų | 194 | 152.7 Ų | 152.7 | 91% | 0.907 | 81% | 0.805 | S | S | * | * | trans | -101 | 133.1 | 153.5 | -74.8 | -177.3 | -13.4 | 0 | 0 | 107.2 | ||||
| 749 | Q | 30.9 | Very low | 30 | Very low | 169 Ų | 169 | 151.9 Ų | 151.9 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | trans | -141.1 | 127.3 | 159.9 | -94 | -171 | -1.2 | 0 | 0 | 109.6 | ||||
| 750 | A | 29.1 | Very low | 30.2 | Very low | 87 Ų | 87 | 152.6 Ų | 152.6 | 72% | 0.719 | 81% | 0.806 | S | S | * | * | trans | -100.4 | 155.6 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 751 | Q | 34.7 | Very low | 30.6 | Very low | 186 Ų | 186 | 151.2 Ų | 151.2 | 87% | 0.869 | 81% | 0.811 | S | S | * | * | trans | -122.4 | 167.1 | 163.7 | -75.5 | -163.1 | -7.7 | 0 | 0 | 110.5 | ||||
| 752 | H | 30.5 | Very low | 30.7 | Very low | 168 Ų | 168 | 157.4 Ų | 157.4 | 78% | 0.778 | 81% | 0.811 | S | S | * | * | trans | -129.1 | 169.8 | -153.9 | -93.7 | -98.3 | 0 | 0 | 0 | 112.6 | ||||
| 753 | F | 28.6 | Very low | 31 | Very low | 192 Ų | 192 | 155.3 Ų | 155.3 | 84% | 0.842 | 81% | 0.805 | S | S | * | * | trans | 111.2 | 145.6 | 130.8 | -128 | -105.5 | 0 | 0 | 0 | 118.9 | ||||
| 754 | F | 27.1 | Very low | 31.4 | Very low | 197 Ų | 197 | 158.3 Ų | 158.3 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | trans | -124.3 | 153.3 | 179.6 | -115.7 | -94.7 | 0 | 0 | 0 | 107.9 | ||||
| 755 | G | 27 | Very low | 31.8 | Very low | 67 Ų | 67 | 157.1 Ų | 157.1 | 69% | 0.691 | 81% | 0.809 | S | S | * | * | trans | 68.5 | 77.4 | 143.1 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 756 | S | 28.8 | Very low | 32.7 | Very low | 116 Ų | 116 | 156.2 Ų | 156.2 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | 58 | 145.5 | 126.8 | -136.8 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 757 | S | 30.1 | Very low | 33.4 | Very low | 114 Ų | 114 | 156.1 Ų | 156.1 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | trans | 72.3 | 121.2 | 150.5 | -66 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 758 | R | 29.8 | Very low | 34.6 | Very low | 236 Ų | 236 | 154.9 Ų | 154.9 | 89% | 0.891 | 80% | 0.802 | S | S | * | * | 178 | 132.9 | 92.3 | -173.9 | 170.2 | -169.6 | -178.2 | 5.6 | 114 | |||||
| 759 | T | 28.5 | Very low | 35.6 | Very low | 135 Ų | 135 | 152.7 Ų | 152.7 | 83% | 0.828 | 80% | 0.802 | S | S | * | * | trans | -114.1 | 176.6 | 161.5 | 47.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 760 | Q | 37.9 | Very low | 36.4 | Very low | 185 Ų | 185 | 150.4 Ų | 150.4 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | -107.2 | 164.7 | -162.3 | -64.3 | -178.7 | -15.1 | 0 | 0 | 115.6 | ||||
| 761 | S | 37.4 | Very low | 36.6 | Very low | 124 Ų | 124 | 157.8 Ų | 157.8 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | trans | 104.2 | 158.6 | -179.7 | 75.8 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 762 | R | 34.8 | Very low | 36.8 | Very low | 202 Ų | 202 | 153.9 Ų | 153.9 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | cis | -172.7 | 139.2 | -27 | 168.5 | 173.7 | 177.7 | 137.2 | 17.7 | 113.7 | ||||
| 763 | E | 39.6 | Very low | 37.1 | Very low | 143 Ų | 143 | 152.7 Ų | 152.7 | 67% | 0.668 | 80% | 0.804 | S | S | * | * | trans | 67 | -175.7 | 159.4 | -73.8 | 161.6 | -173.3 | 0 | 0 | 123 | ||||
| 764 | E | 37.9 | Very low | 37.8 | Very low | 178 Ų | 178 | 148.2 Ų | 148.2 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | -145.7 | 150.9 | -125.9 | -76 | 173.6 | 165.9 | 0 | 0 | 121.4 | |||||
| 765 | V | 39.2 | Very low | 39.4 | Very low | 133 Ų | 133 | 143 Ų | 143 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | trans | 83.2 | 174.6 | 136.1 | 175.6 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 766 | N | 46.5 | Very low | 40.7 | Very low | 131 Ų | 131 | 149 Ų | 149 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | -131.8 | 178.9 | -141.4 | -37 | -18.1 | 0 | 0 | 0 | 122.5 | ||||
| 767 | D | 43.2 | Very low | 41.8 | Very low | 142 Ų | 142 | 151.9 Ų | 151.9 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | trans | 101.3 | -179.6 | 140.2 | -65.9 | -41.9 | 0 | 0 | 0 | 128.4 | ||||
| 768 | L | 56.7 | Low | 43 | Very low | 154 Ų | 154 | 148.9 Ų | 148.9 | 81% | 0.806 | 76% | 0.759 | S | S | * | * | trans | -132.4 | 178.7 | -140.4 | -60.3 | 159 | 0 | 0 | 0 | 120.6 | ||||
| 769 | T | 48.9 | Very low | 44.5 | Very low | 147 Ų | 147 | 140.3 Ų | 140.3 | 90% | 0.902 | 74% | 0.739 | S | S | * | * | trans | 148.4 | 166.6 | 137.6 | 52.1 | 0 | 0 | 0 | 0 | 123 | ||||
| 770 | P | 47.9 | Very low | 46.1 | Very low | 122 Ų | 122 | 141.3 Ų | 141.3 | 79% | 0.792 | 73% | 0.734 | S | S | * | * | trans | -141.2 | -142.3 | -166.5 | 48.3 | -28.8 | 0 | 0 | 0 | 119.1 | ||||
| 771 | R | 33.6 | Very low | 47.1 | Very low | 242 Ų | 242 | 138 Ų | 138 | 91% | 0.913 | 72% | 0.72 | S | S | * | * | trans | 84.7 | 164 | 170.8 | -112 | -177.2 | -179.9 | -172.9 | 1.8 | 116.9 | ||||
| 772 | S | 38.9 | Very low | 48.5 | Very low | 103 Ų | 103 | 136.1 Ų | 136.1 | 72% | 0.72 | 70% | 0.696 | S | S | * | * | cis | -159.2 | -168.3 | 0.7 | 61.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 773 | N | 36.4 | Very low | 50.5 | Low | 143 Ų | 143 | 134 Ų | 134 | 77% | 0.765 | 69% | 0.692 | S | S | * | * | cis | -164.5 | 175.3 | 2.7 | -167 | 0.2 | 0 | 0 | 0 | 109.9 | ||||
| 774 | T | 44.3 | Very low | 52.1 | Low | 98 Ų | 98 | 133.7 Ų | 133.7 | 60% | 0.601 | 69% | 0.691 | S | S | * | * | trans | -163.5 | 167.9 | 173.4 | -4.8 | 0 | 0 | 0 | 0 | 119 | L778 K782 | T774-L778 HydrophobicContact CG2-CD1 3.78Å; T774-L778 HydrophobicContact CG2-CD2 4.4Å; T774-K782 PolarHBondContact O-NZ 3.35Å | ||
| 775 | S | 59.2 | Low | 53.9 | Low | 87 Ų | 87 | 130.6 Ų | 130.6 | 61% | 0.608 | 68% | 0.679 | S | S | * | * | trans | -102.6 | -118.9 | -158.8 | -169.1 | 0 | 0 | 0 | 0 | 120.4 | L778 K782 | S775-L778 VanDerWaalsContact C-CB 3.44Å; S775-L778 VanDerWaalsContact O-CB 3.22Å; S775-L778 WeakPolarHBondContact O-CB 3.21Å; S775-K782 PolarHBondContact O-NZ 3.46Å | ||
| 776 | Y | 54.6 | Low | 56.1 | Low | 193 Ų | 193 | 128.6 Ų | 128.6 | 76% | 0.757 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -107 | -59.7 | -144.6 | -168.9 | -101.7 | 0 | 0 | 0 | 123.5 | L778 A779 | Y776-L778 CarbonylContact O-C 3.4Å; Y776-L778 PolarHBondContact O-N 2.95Å; Y776-A779 WeakPolarHBondContact O-CB 3.46Å; Y776-A779 PolarHBondContact O-N 3.01Å |
| 777 | Q | 53.1 | Low | 57.9 | Low | 178 Ų | 178 | 127.5 Ų | 127.5 | 83% | 0.832 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | -28.8 | 173.6 | -148 | 178.5 | 16.8 | 0 | 0 | 110.5 | A779 E780 | Q777-A779 PolarHBondContact O-N 3Å; Q777-E780 PolarHBondContact O-N 3.25Å |
| 778 | L | 55.1 | Low | 59.8 | Low | 50 Ų | 50 | 125.7 Ų | 125.7 | 26% | 0.262 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -29.3 | -7.1 | 141.5 | -103.6 | 136.5 | 0 | 0 | 0 | 118.6 | T774 S775 Y776 M781 K782 | T774-L778 HydrophobicContact CG2-CD1 3.78Å; T774-L778 HydrophobicContact CG2-CD2 4.4Å; S775-L778 VanDerWaalsContact C-CB 3.44Å; S775-L778 VanDerWaalsContact O-CB 3.22Å; S775-L778 WeakPolarHBondContact O-CB 3.21Å; Y776-L778 CarbonylContact O-C 3.4Å; Y776-L778 PolarHBondContact O-N 2.95Å; L778-M781 HydrophobicContact CG-CE 4.24Å; L778-K782 HydrophobicContact CD2-CG 4.37Å; L778-K782 VanDerWaalsContact O-CA 3.31Å; L778-K782 WeakPolarHBondContact O-CA 3.46Å; L778-K782 WeakPolarHBondContact O-CB 3.49Å; L778-K782 WeakPolarHBondContact O-CD 3.45Å; L778-K782 WeakPolarHBondContact O-CG 3.44Å; L778-K782 PolarHBondContact O-N 3.49Å |
| 779 | A | 61.7 | Low | 61 | Low | 56 Ų | 56 | 123.7 Ų | 123.7 | 46% | 0.463 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -82.2 | -45.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y776 Q777 K782 K783 | Y776-A779 WeakPolarHBondContact O-CB 3.46Å; Y776-A779 PolarHBondContact O-N 3.01Å; Q777-A779 PolarHBondContact O-N 3Å; A779-K782 WeakPolarHBondContact O-CB 3.01Å; A779-K782 PolarHBondContact O-N 2.9Å; A779-K783 PolarHBondContact O-N 3.44Å |
| 780 | E | 60.5 | Low | 62.9 | Low | 156 Ų | 156 | 121.9 Ų | 121.9 | 73% | 0.729 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -75.3 | -39.3 | 173.2 | -171.4 | 156.2 | -135.9 | 0 | 0 | 110.4 | Q777 K782 K783 Q784 | Q777-E780 PolarHBondContact O-N 3.25Å; E780-K782 VanDerWaalsContact C-N 3.33Å; E780-K782 PolarHBondContact O-N 3.29Å; E780-K783 WeakPolarHBondContact O-CB 3.14Å; E780-K783 PolarHBondContact O-N 3.19Å; E780-Q784 PolarHBondContact O-N 3.18Å |
| 781 | M | 58.6 | Low | 64.6 | Low | 115 Ų | 115 | 121.6 Ų | 121.6 | 57% | 0.567 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -63 | -35.5 | 166.4 | -58.5 | -160.2 | -51.6 | 0 | 0 | 112 | L778 K783 Q784 L785 | L778-M781 HydrophobicContact CG-CE 4.24Å; M781-K783 VanDerWaalsContact C-N 3.26Å; M781-K783 PolarHBondContact O-N 2.91Å; M781-Q784 PolarHBondContact O-N 3.33Å; M781-L785 WeakPolarHBondContact O-CA 3.15Å; M781-L785 WeakPolarHBondContact O-CB 3.31Å; M781-L785 PolarHBondContact O-N 3.01Å |
| 782 | K | 66.8 | Low | 67 | Low | 85 Ų | 85 | 114.8 Ų | 114.8 | 37% | 0.37 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61.4 | -35.1 | 170.1 | -91 | 159.4 | -168 | 169.7 | 0 | 111 | T774 S775 L778 A779 E780 L785 V786 | T774-K782 PolarHBondContact O-NZ 3.35Å; S775-K782 PolarHBondContact O-NZ 3.46Å; L778-K782 HydrophobicContact CD2-CG 4.37Å; L778-K782 VanDerWaalsContact O-CA 3.31Å; L778-K782 WeakPolarHBondContact O-CA 3.46Å; L778-K782 WeakPolarHBondContact O-CB 3.49Å; L778-K782 WeakPolarHBondContact O-CD 3.45Å; L778-K782 WeakPolarHBondContact O-CG 3.44Å; L778-K782 PolarHBondContact O-N 3.49Å; A779-K782 WeakPolarHBondContact O-CB 3.01Å; A779-K782 PolarHBondContact O-N 2.9Å; E780-K782 VanDerWaalsContact C-N 3.33Å; E780-K782 PolarHBondContact O-N 3.29Å; K782-L785 PolarHBondContact O-N 2.86Å; K782-V786 WeakPolarHBondContact O-CA 3.47Å; K782-V786 WeakPolarHBondContact O-CB 3.02Å; K782-V786 WeakPolarHBondContact O-CG2 3.46Å; K782-V786 PolarHBondContact O-N 3.27Å |
| 783 | K | 78.7 | Confident | 69.3 | Low | 157 Ų | 157 | 112.1 Ų | 112.1 | 68% | 0.683 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -68.9 | -42 | 179.5 | -157.5 | 176.2 | -176.7 | -176.2 | 0 | 111.5 | A779 E780 M781 L787 | A779-K783 PolarHBondContact O-N 3.44Å; E780-K783 WeakPolarHBondContact O-CB 3.14Å; E780-K783 PolarHBondContact O-N 3.19Å; M781-K783 VanDerWaalsContact C-N 3.26Å; M781-K783 PolarHBondContact O-N 2.91Å; K783-L787 WeakPolarHBondContact O-CG 3.48Å; K783-L787 PolarHBondContact O-N 2.89Å; K783-L787 VanDerWaalsContact O-N 3.15Å |
| 784 | Q | 73.2 | Confident | 71.8 | Confident | 138 Ų | 138 | 109.5 Ų | 109.5 | 65% | 0.645 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -67.4 | -41.7 | 170.7 | -70.5 | -175.4 | -11.2 | 0 | 0 | 112.3 | E780 M781 L787 M788 | E780-Q784 PolarHBondContact O-N 3.18Å; M781-Q784 PolarHBondContact O-N 3.33Å; Q784-L787 PolarHBondContact O-N 3.26Å; Q784-M788 WeakPolarHBondContact O-CB 3.33Å; Q784-M788 PolarHBondContact O-N 3.29Å |
| 785 | L | 75.4 | Confident | 73.8 | Confident | 112 Ų | 112 | 107.5 Ų | 107.5 | 59% | 0.586 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -73.2 | -26 | -178.6 | -166.4 | 144 | 0 | 0 | 0 | 112.2 | M781 K782 H789 | M781-L785 WeakPolarHBondContact O-CA 3.15Å; M781-L785 WeakPolarHBondContact O-CB 3.31Å; M781-L785 PolarHBondContact O-N 3.01Å; K782-L785 PolarHBondContact O-N 2.86Å; L785-H789 WeakPolarHBondContact O-CA 3.13Å; L785-H789 WeakPolarHBondContact O-CB 2.9Å; L785-H789 PolarHBondContact O-N 2.81Å |
| 786 | V | 84.8 | Confident | 75.2 | Confident | 91 Ų | 91 | 108.1 Ų | 108.1 | 55% | 0.552 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -75.4 | -35.8 | 168.7 | 164.8 | 0 | 0 | 0 | 0 | 111.1 | K782 K790 | K782-V786 WeakPolarHBondContact O-CA 3.47Å; K782-V786 WeakPolarHBondContact O-CB 3.02Å; K782-V786 WeakPolarHBondContact O-CG2 3.46Å; K782-V786 PolarHBondContact O-N 3.27Å; V786-K790 WeakPolarHBondContact O-CB 3.38Å; V786-K790 PolarHBondContact O-N 2.76Å |
| 787 | L | 84.9 | Confident | 76.9 | Confident | 109 Ų | 109 | 103.1 Ų | 103.1 | 57% | 0.571 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.9 | -46.8 | 170.6 | -75.9 | 168.9 | 0 | 0 | 0 | 111.2 | K783 Q784 K790 Q791 | K783-L787 WeakPolarHBondContact O-CG 3.48Å; K783-L787 PolarHBondContact O-N 2.89Å; K783-L787 VanDerWaalsContact O-N 3.15Å; Q784-L787 PolarHBondContact O-N 3.26Å; L787-K790 PolarHBondContact O-N 2.9Å; L787-Q791 WeakPolarHBondContact O-CG 3.2Å; L787-Q791 PolarHBondContact O-N 3.33Å |
| 788 | M | 81.6 | Confident | 78.6 | Confident | 103 Ų | 103 | 99.1 Ų | 99.1 | 51% | 0.507 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.2 | -39.2 | 173.9 | -82 | -102.8 | 57.8 | 0 | 0 | 112.5 | Q784 Q791 L792 | Q784-M788 WeakPolarHBondContact O-CB 3.33Å; Q784-M788 PolarHBondContact O-N 3.29Å; M788-Q791 PolarHBondContact O-N 2.93Å; M788-L792 WeakPolarHBondContact O-CB 3.49Å; M788-L792 WeakPolarHBondContact O-CG 3.45Å; M788-L792 PolarHBondContact O-N 3.43Å |
| 789 | H | 83.2 | Confident | 80.2 | Confident | 112 Ų | 112 | 100.6 Ų | 100.6 | 52% | 0.519 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71.1 | -34.7 | 176.9 | -170 | 27.1 | 0 | 0 | 0 | 111.5 | L785 L792 T793 | L785-H789 WeakPolarHBondContact O-CA 3.13Å; L785-H789 WeakPolarHBondContact O-CB 2.9Å; L785-H789 PolarHBondContact O-N 2.81Å; H789-L792 PolarHBondContact O-N 3.21Å; H789-T793 WeakPolarHBondContact O-CG2 3.22Å; H789-T793 PolarHBondContact O-N 2.89Å; H789-T793 PolarHBondContact O-OG1 3.41Å |
| 790 | K | 88.2 | Confident | 81.6 | Confident | 109 Ų | 109 | 101.9 Ų | 101.9 | 47% | 0.474 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.6 | -43.6 | 171.7 | -175.2 | 174.3 | -178 | -68.5 | 0 | 111.6 | V786 L787 L792 T793 E794 | V786-K790 WeakPolarHBondContact O-CB 3.38Å; V786-K790 PolarHBondContact O-N 2.76Å; L787-K790 PolarHBondContact O-N 2.9Å; K790-L792 VanDerWaalsContact C-N 3.32Å; K790-T793 WeakPolarHBondContact CA-OG1 3.34Å; K790-T793 PolarHBondContact O-N 2.88Å; K790-T793 PolarHBondContact O-OG1 3Å; K790-E794 IonicContact NZ-OE1 2.72Å; K790-E794 PolarHBondContact NZ-OE1 2.86Å; K790-E794 IonicContact NZ-OE2 3.19Å; K790-E794 WeakPolarHBondContact O-CB 3.34Å; K790-E794 VanDerWaalsContact O-CG 3.24Å; K790-E794 WeakPolarHBondContact O-CG 3.39Å; K790-E794 PolarHBondContact O-N 3.45Å |
| 791 | Q | 84.8 | Confident | 83.1 | Confident | 116 Ų | 116 | 100 Ų | 100 | 54% | 0.542 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.6 | -37.6 | 172.6 | -74.4 | 178.4 | -39.4 | 0 | 0 | 112 | L787 M788 E794 S795 | L787-Q791 WeakPolarHBondContact O-CG 3.2Å; L787-Q791 PolarHBondContact O-N 3.33Å; M788-Q791 PolarHBondContact O-N 2.93Å; Q791-E794 PolarHBondContact O-N 3.17Å; Q791-S795 WeakPolarHBondContact O-CB 3.43Å; Q791-S795 PolarHBondContact O-N 3.45Å; Q791-S795 PolarHBondContact O-OG 3.02Å |
| 792 | L | 83.1 | Confident | 84.5 | Confident | 99 Ų | 99 | 100.4 Ų | 100.4 | 52% | 0.518 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.6 | -48.4 | 173.3 | -83.2 | 163.2 | 0 | 0 | 0 | 111.4 | M788 H789 K790 E794 S795 E796 | M788-L792 WeakPolarHBondContact O-CB 3.49Å; M788-L792 WeakPolarHBondContact O-CG 3.45Å; M788-L792 PolarHBondContact O-N 3.43Å; H789-L792 PolarHBondContact O-N 3.21Å; K790-L792 VanDerWaalsContact C-N 3.32Å; L792-E794 VanDerWaalsContact C-N 3.33Å; L792-E794 PolarHBondContact O-N 3.25Å; L792-S795 WeakPolarHBondContact CA-OG 3.34Å; L792-S795 CarbonylContact O-C 3.6Å; L792-S795 PolarHBondContact O-N 2.89Å; L792-S795 VanDerWaalsContact O-N 3.17Å; L792-S795 PolarHBondContact O-OG 3.19Å; L792-E796 VanDerWaalsContact O-CB 3.29Å; L792-E796 WeakPolarHBondContact O-CB 3.31Å; L792-E796 PolarHBondContact O-N 2.81Å |
| 793 | T | 87.3 | Confident | 85.5 | Confident | 48 Ų | 48 | 99.1 Ų | 99.1 | 29% | 0.294 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.3 | -38.9 | 176 | 50.7 | 0 | 0 | 0 | 0 | 111.8 | H789 K790 S795 E796 D797 | H789-T793 WeakPolarHBondContact O-CG2 3.22Å; H789-T793 PolarHBondContact O-N 2.89Å; H789-T793 PolarHBondContact O-OG1 3.41Å; K790-T793 WeakPolarHBondContact CA-OG1 3.34Å; K790-T793 PolarHBondContact O-N 2.88Å; K790-T793 PolarHBondContact O-OG1 3Å; T793-S795 VanDerWaalsContact C-N 3.34Å; T793-S795 PolarHBondContact O-N 3Å; T793-E796 PolarHBondContact O-N 3.44Å; T793-D797 WeakPolarHBondContact O-CB 3.32Å; T793-D797 PolarHBondContact O-N 3.31Å |
| 794 | E | 88.2 | Confident | 86.1 | Confident | 88 Ų | 88 | 97.5 Ų | 97.5 | 41% | 0.411 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.3 | -40.9 | 173.7 | -74.8 | 170.2 | 155 | 0 | 0 | 111.4 | K790 Q791 L792 I798 | K790-E794 IonicContact NZ-OE1 2.72Å; K790-E794 PolarHBondContact NZ-OE1 2.86Å; K790-E794 IonicContact NZ-OE2 3.19Å; K790-E794 WeakPolarHBondContact O-CB 3.34Å; K790-E794 VanDerWaalsContact O-CG 3.24Å; K790-E794 WeakPolarHBondContact O-CG 3.39Å; K790-E794 PolarHBondContact O-N 3.45Å; Q791-E794 PolarHBondContact O-N 3.17Å; L792-E794 VanDerWaalsContact C-N 3.33Å; L792-E794 PolarHBondContact O-N 3.25Å; E794-I798 WeakPolarHBondContact O-CB 3.3Å; E794-I798 WeakPolarHBondContact O-CD1 3.3Å; E794-I798 WeakPolarHBondContact O-CG1 3.19Å; E794-I798 PolarHBondContact O-N 3.49Å |
| 795 | S | 86.1 | Confident | 86.9 | Confident | 55 Ų | 55 | 94.5 Ų | 94.5 | 39% | 0.385 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -70.5 | -32.5 | 173.1 | 68.8 | 0 | 0 | 0 | 0 | 113.5 | Q791 L792 T793 V799 | Q791-S795 WeakPolarHBondContact O-CB 3.43Å; Q791-S795 PolarHBondContact O-N 3.45Å; Q791-S795 PolarHBondContact O-OG 3.02Å; L792-S795 WeakPolarHBondContact CA-OG 3.34Å; L792-S795 CarbonylContact O-C 3.6Å; L792-S795 PolarHBondContact O-N 2.89Å; L792-S795 VanDerWaalsContact O-N 3.17Å; L792-S795 PolarHBondContact O-OG 3.19Å; T793-S795 VanDerWaalsContact C-N 3.34Å; T793-S795 PolarHBondContact O-N 3Å; S795-V799 WeakPolarHBondContact O-CB 3.46Å; S795-V799 VanDerWaalsContact O-CG2 3.23Å; S795-V799 WeakPolarHBondContact O-CG2 3.44Å; S795-V799 PolarHBondContact O-N 2.82Å |
| 796 | E | 89.3 | Confident | 87.7 | Confident | 101 Ų | 101 | 94 Ų | 94 | 47% | 0.472 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -72.5 | -37.4 | 178.9 | -161.7 | -166.4 | 117.9 | 0 | 0 | 110.8 | L792 T793 V799 K800 | L792-E796 VanDerWaalsContact O-CB 3.29Å; L792-E796 WeakPolarHBondContact O-CB 3.31Å; L792-E796 PolarHBondContact O-N 2.81Å; T793-E796 PolarHBondContact O-N 3.44Å; E796-V799 PolarHBondContact O-N 3.11Å; E796-K800 VanDerWaalsContact O-CG 3.26Å; E796-K800 WeakPolarHBondContact O-CG 3.32Å; E796-K800 PolarHBondContact O-N 3.35Å; E796-K800 WeakPolarHBondContact OE1-CE 3.34Å; E796-K800 IonicContact OE1-NZ 2.8Å; E796-K800 PolarHBondContact OE1-NZ 2.88Å |
| 797 | D | 90.3 | Very high | 88 | Confident | 87 Ų | 87 | 95.1 Ų | 95.1 | 47% | 0.465 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -76 | -34.1 | 176.1 | -64.6 | -20.3 | 0 | 0 | 0 | 111.6 | T793 K800 Q801 | T793-D797 WeakPolarHBondContact O-CB 3.32Å; T793-D797 PolarHBondContact O-N 3.31Å; D797-K800 PolarHBondContact O-N 2.79Å; D797-K800 IonicContact OD1-NZ 2.68Å; D797-K800 PolarHBondContact OD1-NZ 3.03Å; D797-Q801 WeakPolarHBondContact O-CB 3.4Å; D797-Q801 PolarHBondContact O-N 3.46Å |
| 798 | I | 89.6 | Confident | 88.2 | Confident | 95 Ų | 95 | 96.6 Ų | 96.6 | 49% | 0.487 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.2 | -47.9 | 166.4 | -72.5 | 164.5 | 0 | 0 | 0 | 110.3 | E794 K800 Q801 E802 | E794-I798 WeakPolarHBondContact O-CB 3.3Å; E794-I798 WeakPolarHBondContact O-CD1 3.3Å; E794-I798 WeakPolarHBondContact O-CG1 3.19Å; E794-I798 PolarHBondContact O-N 3.49Å; I798-K800 VanDerWaalsContact C-N 3.33Å; I798-K800 PolarHBondContact O-N 3.2Å; I798-Q801 PolarHBondContact O-N 3.45Å; I798-E802 HydrophobicContact CG2-CG 4.47Å; I798-E802 WeakPolarHBondContact O-CG 3.47Å; I798-E802 PolarHBondContact O-N 3.26Å |
| 799 | V | 88.6 | Confident | 88.6 | Confident | 81 Ų | 81 | 96.8 Ų | 96.8 | 49% | 0.491 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.7 | -36.9 | 178.8 | 166 | 0 | 0 | 0 | 0 | 111.8 | S795 E796 E802 T803 | S795-V799 WeakPolarHBondContact O-CB 3.46Å; S795-V799 VanDerWaalsContact O-CG2 3.23Å; S795-V799 WeakPolarHBondContact O-CG2 3.44Å; S795-V799 PolarHBondContact O-N 2.82Å; E796-V799 PolarHBondContact O-N 3.11Å; V799-E802 PolarHBondContact O-N 3.04Å; V799-T803 PolarHBondContact O-N 2.83Å; V799-T803 PolarHBondContact O-OG1 3.44Å |
| 800 | K | 91.1 | Very high | 89 | Confident | 83 Ų | 83 | 96.3 Ų | 96.3 | 36% | 0.361 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.2 | -49.4 | 171.4 | -74.6 | 164.2 | -156.4 | 151.6 | 0 | 111.2 | E796 D797 I798 E802 T803 E804 | E796-K800 VanDerWaalsContact O-CG 3.26Å; E796-K800 WeakPolarHBondContact O-CG 3.32Å; E796-K800 PolarHBondContact O-N 3.35Å; E796-K800 WeakPolarHBondContact OE1-CE 3.34Å; E796-K800 IonicContact OE1-NZ 2.8Å; E796-K800 PolarHBondContact OE1-NZ 2.88Å; D797-K800 PolarHBondContact O-N 2.79Å; D797-K800 IonicContact OD1-NZ 2.68Å; D797-K800 PolarHBondContact OD1-NZ 3.03Å; I798-K800 VanDerWaalsContact C-N 3.33Å; I798-K800 PolarHBondContact O-N 3.2Å; K800-E802 VanDerWaalsContact C-N 3.3Å; K800-E802 PolarHBondContact O-N 2.91Å; K800-T803 WeakPolarHBondContact CA-OG1 3.48Å; K800-T803 CarbonylContact O-C 3.57Å; K800-T803 PolarHBondContact O-N 3.4Å; K800-T803 PolarHBondContact O-OG1 3.01Å; K800-E804 WeakPolarHBondContact O-CG 3.33Å; K800-E804 PolarHBondContact O-N 2.93Å |
| 801 | Q | 90.5 | Very high | 89.1 | Confident | 117 Ų | 117 | 94 Ų | 94 | 55% | 0.547 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.8 | -36.5 | 178.2 | -166.8 | 173.2 | 19.3 | 0 | 0 | 111.9 | D797 I798 E804 N805 | D797-Q801 WeakPolarHBondContact O-CB 3.4Å; D797-Q801 PolarHBondContact O-N 3.46Å; I798-Q801 PolarHBondContact O-N 3.45Å; Q801-E804 PolarHBondContact O-N 2.99Å; Q801-N805 VanDerWaalsContact O-CB 3.31Å; Q801-N805 WeakPolarHBondContact O-CB 3.46Å; Q801-N805 PolarHBondContact O-N 2.73Å; Q801-N805 PolarHBondContact O-ND2 3.46Å; Q801-N805 VanDerWaalsContact O-ND2 3.07Å |
| 802 | E | 87.8 | Confident | 89.4 | Confident | 123 Ų | 123 | 94.1 Ų | 94.1 | 58% | 0.575 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -65.8 | -36.5 | 171.1 | -73.2 | -177.6 | 166.9 | 0 | 0 | 112.5 | I798 V799 K800 R806 | I798-E802 HydrophobicContact CG2-CG 4.47Å; I798-E802 WeakPolarHBondContact O-CG 3.47Å; I798-E802 PolarHBondContact O-N 3.26Å; V799-E802 PolarHBondContact O-N 3.04Å; K800-E802 VanDerWaalsContact C-N 3.3Å; K800-E802 PolarHBondContact O-N 2.91Å; E802-R806 VanDerWaalsContact O-CB 3.28Å; E802-R806 WeakPolarHBondContact O-CB 3.49Å; E802-R806 PolarHBondContact O-N 2.56Å |
| 803 | T | 88.9 | Confident | 89.9 | Confident | 58 Ų | 58 | 93.3 Ų | 93.3 | 36% | 0.356 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -71.4 | -36.5 | 173.8 | 50.5 | 0 | 0 | 0 | 0 | 113.5 | V799 K800 R806 E807 | V799-T803 PolarHBondContact O-N 2.83Å; V799-T803 PolarHBondContact O-OG1 3.44Å; K800-T803 WeakPolarHBondContact CA-OG1 3.48Å; K800-T803 CarbonylContact O-C 3.57Å; K800-T803 PolarHBondContact O-N 3.4Å; K800-T803 PolarHBondContact O-OG1 3.01Å; T803-R806 PolarHBondContact O-N 3.44Å; T803-E807 WeakPolarHBondContact O-CG 3.4Å; T803-E807 PolarHBondContact O-N 3.33Å |
| 804 | E | 90.5 | Very high | 90.1 | Very high | 122 Ų | 122 | 98.7 Ų | 98.7 | 57% | 0.57 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.1 | -49.8 | 173.8 | -71.4 | 171.2 | 174.3 | 0 | 0 | 110.2 | K800 Q801 R806 E807 E808 | K800-E804 WeakPolarHBondContact O-CG 3.33Å; K800-E804 PolarHBondContact O-N 2.93Å; Q801-E804 PolarHBondContact O-N 2.99Å; E804-R806 PolarHBondContact O-N 3.41Å; E804-E807 PolarHBondContact O-N 3.5Å; E804-E808 PolarHBondContact O-N 2.84Å |
| 805 | N | 91.3 | Very high | 90.3 | Very high | 75 Ų | 75 | 98.2 Ų | 98.2 | 40% | 0.401 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -56.9 | -37.2 | 173.5 | -70.2 | -27.9 | 0 | 0 | 0 | 112.3 | Q801 L809 | Q801-N805 VanDerWaalsContact O-CB 3.31Å; Q801-N805 WeakPolarHBondContact O-CB 3.46Å; Q801-N805 PolarHBondContact O-N 2.73Å; Q801-N805 PolarHBondContact O-ND2 3.46Å; Q801-N805 VanDerWaalsContact O-ND2 3.07Å; N805-L809 WeakPolarHBondContact O-CB 3.2Å; N805-L809 VanDerWaalsContact O-CG 3.27Å; N805-L809 WeakPolarHBondContact O-CG 3.41Å; N805-L809 PolarHBondContact O-N 3.12Å |
| 806 | R | 91.3 | Very high | 90.7 | Very high | 101 Ų | 101 | 99.3 Ų | 99.3 | 38% | 0.381 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.9 | -40.7 | 175.5 | -179.5 | -166.5 | 60.8 | 78 | 12.8 | 111.7 | E802 T803 E804 L809 E810 | E802-R806 VanDerWaalsContact O-CB 3.28Å; E802-R806 WeakPolarHBondContact O-CB 3.49Å; E802-R806 PolarHBondContact O-N 2.56Å; T803-R806 PolarHBondContact O-N 3.44Å; E804-R806 PolarHBondContact O-N 3.41Å; R806-L809 PolarHBondContact O-N 3.09Å; R806-E810 WeakPolarHBondContact CD-OE1 3.5Å; R806-E810 HydrophobicContact CG-CG 4.49Å; R806-E810 WeakPolarHBondContact CG-OE1 3.48Å; R806-E810 IonicContact CZ-OE1 3.5Å; R806-E810 IonicContact CZ-OE2 2.66Å; R806-E810 IonicContact NE-OE1 3.39Å; R806-E810 IonicContact NH1-OE1 2.7Å; R806-E810 PolarHBondContact NH1-OE1 3.27Å; R806-E810 IonicContact NH1-OE2 3.47Å; R806-E810 PolarHBondContact NH1-OE2 2.93Å; R806-E810 WeakPolarHBondContact O-CB 3.33Å; R806-E810 WeakPolarHBondContact O-CG 3.46Å; R806-E810 PolarHBondContact O-N 3.37Å |
| 807 | E | 90.3 | Very high | 90.8 | Very high | 115 Ų | 115 | 101.8 Ų | 101.8 | 54% | 0.537 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70.9 | -35.8 | 178.4 | -73.3 | 177.1 | -164.7 | 0 | 0 | 112.1 | T803 E804 E810 A811 | T803-E807 WeakPolarHBondContact O-CG 3.4Å; T803-E807 PolarHBondContact O-N 3.33Å; E804-E807 PolarHBondContact O-N 3.5Å; E807-E810 PolarHBondContact O-N 3Å; E807-A811 WeakPolarHBondContact O-CB 3.38Å; E807-A811 PolarHBondContact O-N 3.43Å |
| 808 | E | 90.1 | Very high | 90.9 | Very high | 140 Ų | 140 | 101.9 Ų | 101.9 | 65% | 0.654 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61 | -46.6 | 168.4 | -69.6 | -169.7 | 167.1 | 0 | 0 | 111.7 | E804 A811 E812 | E804-E808 PolarHBondContact O-N 2.84Å; E808-A811 PolarHBondContact O-N 3.4Å; E808-E812 PolarHBondContact O-N 3.44Å |
| 809 | L | 90.6 | Very high | 91.1 | Very high | 108 Ų | 108 | 103.4 Ų | 103.4 | 57% | 0.565 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.9 | -37.6 | 176.7 | -75.5 | 169.2 | 0 | 0 | 0 | 112.7 | N805 R806 E812 N813 | N805-L809 WeakPolarHBondContact O-CB 3.2Å; N805-L809 VanDerWaalsContact O-CG 3.27Å; N805-L809 WeakPolarHBondContact O-CG 3.41Å; N805-L809 PolarHBondContact O-N 3.12Å; R806-L809 PolarHBondContact O-N 3.09Å; L809-E812 PolarHBondContact O-N 3.05Å; L809-N813 VanDerWaalsContact O-CB 3.29Å; L809-N813 WeakPolarHBondContact O-CB 3.4Å; L809-N813 PolarHBondContact O-N 3.31Å |
| 810 | E | 90.5 | Very high | 91.3 | Very high | 101 Ų | 101 | 104.5 Ų | 104.5 | 47% | 0.472 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.7 | -36 | 175.6 | -78 | 171.2 | -164.9 | 0 | 0 | 111.8 | R806 E807 N813 F814 | R806-E810 WeakPolarHBondContact CD-OE1 3.5Å; R806-E810 HydrophobicContact CG-CG 4.49Å; R806-E810 WeakPolarHBondContact CG-OE1 3.48Å; R806-E810 IonicContact CZ-OE1 3.5Å; R806-E810 IonicContact CZ-OE2 2.66Å; R806-E810 IonicContact NE-OE1 3.39Å; R806-E810 IonicContact NH1-OE1 2.7Å; R806-E810 PolarHBondContact NH1-OE1 3.27Å; R806-E810 IonicContact NH1-OE2 3.47Å; R806-E810 PolarHBondContact NH1-OE2 2.93Å; R806-E810 WeakPolarHBondContact O-CB 3.33Å; R806-E810 WeakPolarHBondContact O-CG 3.46Å; R806-E810 PolarHBondContact O-N 3.37Å; E807-E810 PolarHBondContact O-N 3Å; E810-N813 PolarHBondContact O-N 2.81Å; E810-F814 WeakPolarHBondContact O-CB 3.48Å; E810-F814 PolarHBondContact O-N 2.99Å |
| 811 | A | 90.1 | Very high | 91.4 | Very high | 61 Ų | 61 | 102.4 Ų | 102.4 | 50% | 0.504 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.7 | -41 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E807 E808 F814 S815 | E807-A811 WeakPolarHBondContact O-CB 3.38Å; E807-A811 PolarHBondContact O-N 3.43Å; E808-A811 PolarHBondContact O-N 3.4Å; A811-F814 PolarHBondContact O-N 2.88Å; A811-S815 WeakPolarHBondContact O-CB 3.47Å; A811-S815 PolarHBondContact O-N 2.74Å |
| 812 | E | 92.5 | Very high | 91.4 | Very high | 118 Ų | 118 | 100.5 Ų | 100.5 | 55% | 0.551 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.6 | -43.9 | 171.5 | -175.6 | 174.4 | -158.5 | 0 | 0 | 110.9 | E808 L809 F814 S815 L816 | E808-E812 PolarHBondContact O-N 3.44Å; L809-E812 PolarHBondContact O-N 3.05Å; E812-F814 VanDerWaalsContact C-N 3.35Å; E812-F814 PolarHBondContact O-N 3.21Å; E812-S815 CarbonylContact O-C 3.49Å; E812-S815 WeakPolarHBondContact O-CB 3.3Å; E812-S815 PolarHBondContact O-N 2.71Å; E812-S815 VanDerWaalsContact O-N 3.15Å; E812-L816 HydrophobicContact CG-CD1 4.19Å; E812-L816 HydrophobicContact CG-CG 4.4Å; E812-L816 WeakPolarHBondContact O-CG 3.45Å; E812-L816 PolarHBondContact O-N 2.83Å |
| 813 | N | 92.1 | Very high | 91.7 | Very high | 82 Ų | 82 | 98.7 Ų | 98.7 | 44% | 0.439 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.3 | -43.6 | 178 | -146.5 | -30.5 | 0 | 0 | 0 | 111.3 | L809 E810 S815 L816 Y817 | L809-N813 VanDerWaalsContact O-CB 3.29Å; L809-N813 WeakPolarHBondContact O-CB 3.4Å; L809-N813 PolarHBondContact O-N 3.31Å; E810-N813 PolarHBondContact O-N 2.81Å; N813-S815 PolarHBondContact O-N 3.31Å; N813-L816 PolarHBondContact O-N 3.02Å; N813-Y817 WeakPolarHBondContact O-CD2 3.45Å; N813-Y817 PolarHBondContact O-N 3.2Å; N813-Y817 WeakPolarHBondContact OD1-CE2 3.1Å |
| 814 | F | 92.1 | Very high | 91.8 | Very high | 162 Ų | 162 | 99.4 Ų | 99.4 | 71% | 0.711 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.3 | -41.4 | 174.3 | -168.1 | -92.8 | 0 | 0 | 0 | 112.5 | E810 A811 E812 L816 Y817 D818 | E810-F814 WeakPolarHBondContact O-CB 3.48Å; E810-F814 PolarHBondContact O-N 2.99Å; A811-F814 PolarHBondContact O-N 2.88Å; E812-F814 VanDerWaalsContact C-N 3.35Å; E812-F814 PolarHBondContact O-N 3.21Å; F814-L816 VanDerWaalsContact C-N 3.33Å; F814-L816 PolarHBondContact O-N 2.91Å; F814-Y817 PolarHBondContact O-N 3.4Å; F814-D818 PolarHBondContact O-N 2.9Å |
| 815 | S | 92.6 | Very high | 91.9 | Very high | 78 Ų | 78 | 101.2 Ų | 101.2 | 55% | 0.545 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.6 | -38.4 | 173.8 | -171.7 | 0 | 0 | 0 | 0 | 112.3 | A811 E812 N813 K819 | A811-S815 WeakPolarHBondContact O-CB 3.47Å; A811-S815 PolarHBondContact O-N 2.74Å; E812-S815 CarbonylContact O-C 3.49Å; E812-S815 WeakPolarHBondContact O-CB 3.3Å; E812-S815 PolarHBondContact O-N 2.71Å; E812-S815 VanDerWaalsContact O-N 3.15Å; N813-S815 PolarHBondContact O-N 3.31Å; S815-K819 VanDerWaalsContact O-CB 3.28Å; S815-K819 WeakPolarHBondContact O-CB 3.1Å; S815-K819 PolarHBondContact O-N 2.92Å |
| 816 | L | 93.4 | Very high | 92 | Very high | 77 Ų | 77 | 102.8 Ų | 102.8 | 40% | 0.403 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.8 | -40.3 | 173.7 | -70.2 | 172.1 | 0 | 0 | 0 | 112 | E812 N813 F814 K819 I820 | E812-L816 HydrophobicContact CG-CD1 4.19Å; E812-L816 HydrophobicContact CG-CG 4.4Å; E812-L816 WeakPolarHBondContact O-CG 3.45Å; E812-L816 PolarHBondContact O-N 2.83Å; N813-L816 PolarHBondContact O-N 3.02Å; F814-L816 VanDerWaalsContact C-N 3.33Å; F814-L816 PolarHBondContact O-N 2.91Å; L816-K819 PolarHBondContact O-N 3.34Å; L816-I820 WeakPolarHBondContact O-CB 3.43Å; L816-I820 WeakPolarHBondContact O-CD1 3.38Å; L816-I820 WeakPolarHBondContact O-CG1 3.4Å; L816-I820 PolarHBondContact O-N 3.47Å |
| 817 | Y | 92.6 | Very high | 92 | Very high | 154 Ų | 154 | 103.4 Ų | 103.4 | 60% | 0.604 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.5 | -43.2 | 174.6 | -78.8 | -64 | 0 | 0 | 0 | 112.8 | N813 F814 I820 S821 | N813-Y817 WeakPolarHBondContact O-CD2 3.45Å; N813-Y817 PolarHBondContact O-N 3.2Å; N813-Y817 WeakPolarHBondContact OD1-CE2 3.1Å; F814-Y817 PolarHBondContact O-N 3.4Å; Y817-I820 PolarHBondContact O-N 2.85Å; Y817-S821 WeakPolarHBondContact O-CB 3.37Å; Y817-S821 PolarHBondContact O-N 3Å |
| 818 | D | 92.1 | Very high | 92 | Very high | 88 Ų | 88 | 103.5 Ų | 103.5 | 47% | 0.471 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.4 | -41 | 175.7 | -170.3 | 53.5 | 0 | 0 | 0 | 111.5 | F814 I820 S821 I822 | F814-D818 PolarHBondContact O-N 2.9Å; D818-I820 VanDerWaalsContact C-N 3.33Å; D818-I820 PolarHBondContact O-N 3.26Å; D818-S821 WeakPolarHBondContact O-CB 3.44Å; D818-S821 PolarHBondContact O-N 2.87Å; D818-S821 VanDerWaalsContact O-N 3.16Å; D818-I822 WeakPolarHBondContact O-CG1 3.27Å; D818-I822 PolarHBondContact O-N 3.48Å |
| 819 | K | 94.4 | Very high | 92 | Very high | 128 Ų | 128 | 102.1 Ų | 102.1 | 56% | 0.557 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.3 | -38.9 | 174.2 | -170.5 | 175.5 | -177.1 | 179 | 0 | 112.8 | S815 L816 I822 L823 | S815-K819 VanDerWaalsContact O-CB 3.28Å; S815-K819 WeakPolarHBondContact O-CB 3.1Å; S815-K819 PolarHBondContact O-N 2.92Å; L816-K819 PolarHBondContact O-N 3.34Å; K819-I822 PolarHBondContact O-N 3.3Å; K819-L823 HydrophobicContact CG-CD1 4.42Å; K819-L823 VanDerWaalsContact O-CG 3.31Å; K819-L823 WeakPolarHBondContact O-CG 3.49Å; K819-L823 PolarHBondContact O-N 2.91Å |
| 820 | I | 91.8 | Very high | 91.9 | Very high | 103 Ų | 103 | 102 Ų | 102 | 53% | 0.528 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.7 | -45.3 | 173 | -71.5 | 163 | 0 | 0 | 0 | 110.3 | L816 Y817 D818 I822 L823 D824 | L816-I820 WeakPolarHBondContact O-CB 3.43Å; L816-I820 WeakPolarHBondContact O-CD1 3.38Å; L816-I820 WeakPolarHBondContact O-CG1 3.4Å; L816-I820 PolarHBondContact O-N 3.47Å; Y817-I820 PolarHBondContact O-N 2.85Å; D818-I820 VanDerWaalsContact C-N 3.33Å; D818-I820 PolarHBondContact O-N 3.26Å; I820-I822 VanDerWaalsContact C-N 3.29Å; I820-I822 PolarHBondContact O-N 3.18Å; I820-L823 PolarHBondContact O-N 3.4Å; I820-D824 WeakPolarHBondContact O-CB 3.35Å; I820-D824 PolarHBondContact O-N 3.49Å |
| 821 | S | 93.1 | Very high | 91.9 | Very high | 39 Ų | 39 | 103.1 Ų | 103.1 | 27% | 0.273 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -57.8 | -38.5 | 175 | 170 | 0 | 0 | 0 | 0 | 112.6 | Y817 D818 R825 | Y817-S821 WeakPolarHBondContact O-CB 3.37Å; Y817-S821 PolarHBondContact O-N 3Å; D818-S821 WeakPolarHBondContact O-CB 3.44Å; D818-S821 PolarHBondContact O-N 2.87Å; D818-S821 VanDerWaalsContact O-N 3.16Å; S821-R825 VanDerWaalsContact O-CG 3.28Å; S821-R825 WeakPolarHBondContact O-CG 3.24Å; S821-R825 PolarHBondContact O-N 2.93Å; S821-R825 VanDerWaalsContact O-N 3.16Å |
| 822 | I | 92 | Very high | 91.9 | Very high | 77 Ų | 77 | 105.2 Ų | 105.2 | 40% | 0.395 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.5 | -47.7 | 174.7 | -68.4 | 164.2 | 0 | 0 | 0 | 111.2 | D818 K819 I820 D824 R825 Q826 | D818-I822 WeakPolarHBondContact O-CG1 3.27Å; D818-I822 PolarHBondContact O-N 3.48Å; K819-I822 PolarHBondContact O-N 3.3Å; I820-I822 VanDerWaalsContact C-N 3.29Å; I820-I822 PolarHBondContact O-N 3.18Å; I822-D824 VanDerWaalsContact C-N 3.33Å; I822-D824 PolarHBondContact O-N 3.45Å; I822-R825 PolarHBondContact O-N 3.29Å; I822-Q826 WeakPolarHBondContact O-CG 3.27Å; I822-Q826 PolarHBondContact O-N 3.49Å |
| 823 | L | 93.4 | Very high | 91.6 | Very high | 86 Ų | 86 | 104.6 Ų | 104.6 | 45% | 0.45 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62 | -40 | 178 | -73.4 | 167.1 | 0 | 0 | 0 | 112.1 | K819 I820 R825 Q826 L827 | K819-L823 HydrophobicContact CG-CD1 4.42Å; K819-L823 VanDerWaalsContact O-CG 3.31Å; K819-L823 WeakPolarHBondContact O-CG 3.49Å; K819-L823 PolarHBondContact O-N 2.91Å; I820-L823 PolarHBondContact O-N 3.4Å; L823-R825 VanDerWaalsContact C-N 3.34Å; L823-R825 PolarHBondContact O-N 2.99Å; L823-Q826 WeakPolarHBondContact O-CB 3.45Å; L823-Q826 PolarHBondContact O-N 3.47Å; L823-Q826 VanDerWaalsContact O-N 3.14Å; L823-L827 WeakPolarHBondContact O-CG 3.38Å; L823-L827 PolarHBondContact O-N 2.92Å |
| 824 | D | 91.7 | Very high | 91.5 | Very high | 72 Ų | 72 | 108 Ų | 108 | 39% | 0.385 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67 | -32.1 | 177.7 | 179.9 | 48.3 | 0 | 0 | 0 | 112.3 | I820 I822 R828 | I820-D824 WeakPolarHBondContact O-CB 3.35Å; I820-D824 PolarHBondContact O-N 3.49Å; I822-D824 VanDerWaalsContact C-N 3.33Å; I822-D824 PolarHBondContact O-N 3.45Å; D824-R828 VanDerWaalsContact CG-NH2 3.31Å; D824-R828 VanDerWaalsContact O-CZ 3.28Å; D824-R828 PolarHBondContact O-N 3.47Å; D824-R828 PolarHBondContact O-NH2 2.9Å; D824-R828 IonicContact OD1-CZ 3.42Å; D824-R828 IonicContact OD1-NH1 2.64Å; D824-R828 PolarHBondContact OD1-NH1 3.25Å; D824-R828 IonicContact OD1-NH2 3.93Å; D824-R828 IonicContact OD2-CZ 3.75Å; D824-R828 IonicContact OD2-NH1 3.85Å; D824-R828 PolarHBondContact OD2-NH1 2.84Å; D824-R828 IonicContact OD2-NH2 3.7Å; D824-R828 PolarHBondContact OD2-NH2 3.07Å |
| 825 | R | 91.6 | Very high | 91.3 | Very high | 161 Ų | 161 | 103.6 Ų | 103.6 | 61% | 0.608 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -69.9 | -38.6 | 167.4 | -69 | 171.2 | -161.5 | -165.7 | 5 | 112.7 | S821 I822 L823 R828 H829 | S821-R825 VanDerWaalsContact O-CG 3.28Å; S821-R825 WeakPolarHBondContact O-CG 3.24Å; S821-R825 PolarHBondContact O-N 2.93Å; S821-R825 VanDerWaalsContact O-N 3.16Å; I822-R825 PolarHBondContact O-N 3.29Å; L823-R825 VanDerWaalsContact C-N 3.34Å; L823-R825 PolarHBondContact O-N 2.99Å; R825-R828 PolarHBondContact O-N 2.76Å; R825-H829 PolarHBondContact O-N 3.44Å |
| 826 | Q | 93.5 | Very high | 91 | Very high | 107 Ų | 107 | 103.6 Ų | 103.6 | 50% | 0.5 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.9 | -40.4 | 177.2 | -72.9 | 176.2 | -21.2 | 0 | 0 | 111.8 | I822 L823 H829 I830 | I822-Q826 WeakPolarHBondContact O-CG 3.27Å; I822-Q826 PolarHBondContact O-N 3.49Å; L823-Q826 WeakPolarHBondContact O-CB 3.45Å; L823-Q826 PolarHBondContact O-N 3.47Å; L823-Q826 VanDerWaalsContact O-N 3.14Å; Q826-H829 PolarHBondContact O-N 3.04Å; Q826-I830 VanDerWaalsContact O-CG1 3.31Å; Q826-I830 WeakPolarHBondContact O-CG1 3.21Å; Q826-I830 PolarHBondContact O-N 3.44Å |
| 827 | L | 90.9 | Very high | 90.7 | Very high | 114 Ų | 114 | 105.4 Ų | 105.4 | 60% | 0.597 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.7 | -43 | 174.3 | -73.5 | 171.1 | 0 | 0 | 0 | 111.9 | L823 I830 Q831 | L823-L827 WeakPolarHBondContact O-CG 3.38Å; L823-L827 PolarHBondContact O-N 2.92Å; L827-I830 PolarHBondContact O-N 3.46Å; L827-Q831 WeakPolarHBondContact O-CB 3.42Å; L827-Q831 PolarHBondContact O-N 2.89Å |
| 828 | R | 91.4 | Very high | 90.5 | Very high | 118 Ų | 118 | 101.6 Ų | 101.6 | 45% | 0.445 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59 | -48.4 | 172.2 | -83.2 | -175.2 | -72.5 | -81.4 | -0.8 | 112.5 | D824 R825 I830 Q831 D832 | D824-R828 VanDerWaalsContact CG-NH2 3.31Å; D824-R828 VanDerWaalsContact O-CZ 3.28Å; D824-R828 PolarHBondContact O-N 3.47Å; D824-R828 PolarHBondContact O-NH2 2.9Å; D824-R828 IonicContact OD1-CZ 3.42Å; D824-R828 IonicContact OD1-NH1 2.64Å; D824-R828 PolarHBondContact OD1-NH1 3.25Å; D824-R828 IonicContact OD1-NH2 3.93Å; D824-R828 IonicContact OD2-CZ 3.75Å; D824-R828 IonicContact OD2-NH1 3.85Å; D824-R828 PolarHBondContact OD2-NH1 2.84Å; D824-R828 IonicContact OD2-NH2 3.7Å; D824-R828 PolarHBondContact OD2-NH2 3.07Å; R825-R828 PolarHBondContact O-N 2.76Å; R828-I830 VanDerWaalsContact C-N 3.33Å; R828-I830 PolarHBondContact O-N 3.42Å; R828-Q831 CarbonylContact O-C 3.54Å; R828-Q831 PolarHBondContact O-N 2.88Å; R828-D832 PolarHBondContact O-N 3.35Å |
| 829 | H | 89.7 | Confident | 90.3 | Very high | 111 Ų | 111 | 102.2 Ų | 102.2 | 51% | 0.514 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58 | -44.3 | 178.4 | -168.9 | -72.5 | 0 | 0 | 0 | 112.4 | R825 Q826 Q831 D832 E833 | R825-H829 PolarHBondContact O-N 3.44Å; Q826-H829 PolarHBondContact O-N 3.04Å; H829-Q831 VanDerWaalsContact C-N 3.29Å; H829-Q831 PolarHBondContact O-N 3.45Å; H829-D832 PolarHBondContact O-N 2.93Å; H829-E833 IonicContact CE1-OE1 3Å; H829-E833 IonicContact CE1-OE2 3.27Å; H829-E833 PolarHBondContact CE1-OE2 2.91Å; H829-E833 VanDerWaalsContact CE1-OE2 3.31Å; H829-E833 IonicContact ND1-OE1 3.99Å; H829-E833 IonicContact ND1-OE2 3.6Å; H829-E833 PolarHBondContact ND1-OE2 3.39Å; H829-E833 WeakPolarHBondContact O-CB 3.39Å; H829-E833 WeakPolarHBondContact O-CG 3.45Å; H829-E833 PolarHBondContact O-N 3.45Å |
| 830 | I | 89.3 | Confident | 90 | Very high | 106 Ų | 106 | 101.4 Ų | 101.4 | 54% | 0.544 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.2 | -35.4 | 177.4 | -68.1 | 164.7 | 0 | 0 | 0 | 111.2 | Q826 L827 R828 Y834 | Q826-I830 VanDerWaalsContact O-CG1 3.31Å; Q826-I830 WeakPolarHBondContact O-CG1 3.21Å; Q826-I830 PolarHBondContact O-N 3.44Å; L827-I830 PolarHBondContact O-N 3.46Å; R828-I830 VanDerWaalsContact C-N 3.33Å; R828-I830 PolarHBondContact O-N 3.42Å; I830-Y834 WeakPolarHBondContact O-CB 3.21Å; I830-Y834 PolarHBondContact O-N 3.37Å |
| 831 | Q | 88.9 | Confident | 89.7 | Confident | 123 Ų | 123 | 100.5 Ų | 100.5 | 58% | 0.575 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -73.6 | -40.5 | 176.7 | -171.4 | 168.7 | -19.3 | 0 | 0 | 112.3 | L827 R828 H829 E833 Y834 D835 | L827-Q831 WeakPolarHBondContact O-CB 3.42Å; L827-Q831 PolarHBondContact O-N 2.89Å; R828-Q831 CarbonylContact O-C 3.54Å; R828-Q831 PolarHBondContact O-N 2.88Å; H829-Q831 VanDerWaalsContact C-N 3.29Å; H829-Q831 PolarHBondContact O-N 3.45Å; Q831-E833 VanDerWaalsContact C-N 3.34Å; Q831-E833 PolarHBondContact O-N 2.96Å; Q831-Y834 WeakPolarHBondContact O-CB 3.4Å; Q831-Y834 PolarHBondContact O-N 2.8Å; Q831-D835 PolarHBondContact O-N 3.21Å |
| 832 | D | 90.4 | Very high | 89.3 | Confident | 105 Ų | 105 | 102.8 Ų | 102.8 | 56% | 0.561 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.7 | -41.6 | 173 | -67.6 | -38.5 | 0 | 0 | 0 | 111.1 | R828 H829 D835 E836 | R828-D832 PolarHBondContact O-N 3.35Å; H829-D832 PolarHBondContact O-N 2.93Å; D832-D835 PolarHBondContact O-N 2.94Å; D832-E836 WeakPolarHBondContact O-CB 3.39Å; D832-E836 WeakPolarHBondContact O-CG 3.43Å; D832-E836 PolarHBondContact O-N 3.04Å |
| 833 | E | 87.5 | Confident | 89.1 | Confident | 105 Ų | 105 | 103.7 Ų | 103.7 | 49% | 0.491 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.7 | -37.7 | 173.4 | -76.3 | 178.6 | 121 | 0 | 0 | 112.5 | H829 Q831 L837 | H829-E833 IonicContact CE1-OE1 3Å; H829-E833 IonicContact CE1-OE2 3.27Å; H829-E833 PolarHBondContact CE1-OE2 2.91Å; H829-E833 VanDerWaalsContact CE1-OE2 3.31Å; H829-E833 IonicContact ND1-OE1 3.99Å; H829-E833 IonicContact ND1-OE2 3.6Å; H829-E833 PolarHBondContact ND1-OE2 3.39Å; H829-E833 WeakPolarHBondContact O-CB 3.39Å; H829-E833 WeakPolarHBondContact O-CG 3.45Å; H829-E833 PolarHBondContact O-N 3.45Å; Q831-E833 VanDerWaalsContact C-N 3.34Å; Q831-E833 PolarHBondContact O-N 2.96Å; E833-L837 WeakPolarHBondContact O-CB 3.41Å; E833-L837 PolarHBondContact O-N 3.49Å |
| 834 | Y | 89 | Confident | 88.8 | Confident | 153 Ų | 153 | 103.4 Ų | 103.4 | 60% | 0.6 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -68.4 | -45.1 | 175.9 | -172.9 | -94.8 | 0 | 0 | 0 | 111.9 | I830 Q831 E836 L837 V838 | I830-Y834 WeakPolarHBondContact O-CB 3.21Å; I830-Y834 PolarHBondContact O-N 3.37Å; Q831-Y834 WeakPolarHBondContact O-CB 3.4Å; Q831-Y834 PolarHBondContact O-N 2.8Å; Y834-E836 VanDerWaalsContact C-N 3.33Å; Y834-E836 PolarHBondContact O-N 3.42Å; Y834-L837 WeakPolarHBondContact O-CB 3.49Å; Y834-L837 PolarHBondContact O-N 3.44Å; Y834-L837 VanDerWaalsContact O-N 3.12Å; Y834-V838 HydrophobicContact CD1-CG2 4.08Å; Y834-V838 HydrophobicContact CE1-CG2 3.74Å; Y834-V838 WeakPolarHBondContact O-CG2 2.93Å; Y834-V838 PolarHBondContact O-N 2.75Å |
| 835 | D | 89.1 | Confident | 88.5 | Confident | 71 Ų | 71 | 105.2 Ų | 105.2 | 38% | 0.38 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.4 | -36.1 | 177.4 | -79.1 | -3.8 | 0 | 0 | 0 | 111.7 | Q831 D832 V838 K839 | Q831-D835 PolarHBondContact O-N 3.21Å; D832-D835 PolarHBondContact O-N 2.94Å; D835-V838 PolarHBondContact O-N 3.01Å; D835-K839 WeakPolarHBondContact O-CE 3.31Å; D835-K839 VanDerWaalsContact O-CG 3.27Å; D835-K839 WeakPolarHBondContact O-CG 3.43Å; D835-K839 PolarHBondContact O-N 3.42Å |
| 836 | E | 85.9 | Confident | 88.3 | Confident | 78 Ų | 78 | 104.7 Ų | 104.7 | 36% | 0.364 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.7 | -34.3 | 170.9 | -80.3 | -61.1 | 124 | 0 | 0 | 113.3 | D832 Y834 K839 K840 | D832-E836 WeakPolarHBondContact O-CB 3.39Å; D832-E836 WeakPolarHBondContact O-CG 3.43Å; D832-E836 PolarHBondContact O-N 3.04Å; Y834-E836 VanDerWaalsContact C-N 3.33Å; Y834-E836 PolarHBondContact O-N 3.42Å; E836-K839 WeakPolarHBondContact OE1-CD 3.34Å; E836-K839 WeakPolarHBondContact OE1-CE 3.43Å; E836-K839 IonicContact OE1-NZ 2.62Å; E836-K839 PolarHBondContact OE1-NZ 2.88Å; E836-K840 WeakPolarHBondContact O-CB 3.39Å; E836-K840 WeakPolarHBondContact O-CD 3.35Å; E836-K840 VanDerWaalsContact O-CG 3.26Å; E836-K840 WeakPolarHBondContact O-CG 3.4Å; E836-K840 PolarHBondContact O-N 3.22Å; E836-K840 IonicContact OE2-NZ 2.81Å |
| 837 | L | 86.9 | Confident | 88 | Confident | 115 Ų | 115 | 102.9 Ų | 102.9 | 60% | 0.602 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.8 | -44.5 | 170.7 | -89.8 | 163.1 | 0 | 0 | 0 | 111.4 | E833 Y834 K840 E841 | E833-L837 WeakPolarHBondContact O-CB 3.41Å; E833-L837 PolarHBondContact O-N 3.49Å; Y834-L837 WeakPolarHBondContact O-CB 3.49Å; Y834-L837 PolarHBondContact O-N 3.44Å; Y834-L837 VanDerWaalsContact O-N 3.12Å; L837-K840 PolarHBondContact O-N 2.89Å; L837-E841 WeakPolarHBondContact O-CB 3.46Å; L837-E841 PolarHBondContact O-N 3.49Å |
| 838 | V | 88.3 | Confident | 87.7 | Confident | 74 Ų | 74 | 100.8 Ų | 100.8 | 45% | 0.448 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.6 | -41.3 | 177.1 | 172 | 0 | 0 | 0 | 0 | 111.5 | Y834 D835 E841 M842 | Y834-V838 HydrophobicContact CD1-CG2 4.08Å; Y834-V838 HydrophobicContact CE1-CG2 3.74Å; Y834-V838 WeakPolarHBondContact O-CG2 2.93Å; Y834-V838 PolarHBondContact O-N 2.75Å; D835-V838 PolarHBondContact O-N 3.01Å; V838-E841 PolarHBondContact O-N 2.9Å; V838-M842 WeakPolarHBondContact O-CB 3.28Å; V838-M842 PolarHBondContact O-N 2.93Å |
| 839 | K | 87.8 | Confident | 87.6 | Confident | 100 Ų | 100 | 101.6 Ų | 101.6 | 44% | 0.435 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.7 | -45.6 | 173.9 | -72.2 | 169.6 | -136.6 | 165.4 | 0 | 112 | D835 E836 M842 I843 | D835-K839 WeakPolarHBondContact O-CE 3.31Å; D835-K839 VanDerWaalsContact O-CG 3.27Å; D835-K839 WeakPolarHBondContact O-CG 3.43Å; D835-K839 PolarHBondContact O-N 3.42Å; E836-K839 WeakPolarHBondContact OE1-CD 3.34Å; E836-K839 WeakPolarHBondContact OE1-CE 3.43Å; E836-K839 IonicContact OE1-NZ 2.62Å; E836-K839 PolarHBondContact OE1-NZ 2.88Å; K839-M842 PolarHBondContact O-N 3.22Å; K839-I843 VanDerWaalsContact O-CG1 3.31Å; K839-I843 WeakPolarHBondContact O-CG1 3.34Å; K839-I843 PolarHBondContact O-N 3Å |
| 840 | K | 87.5 | Confident | 87.4 | Confident | 111 Ų | 111 | 100.2 Ų | 100.2 | 48% | 0.483 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 177.3 | -74.5 | 162.5 | -170.5 | 152.7 | 0 | 111.6 | E836 L837 I843 N844 | E836-K840 WeakPolarHBondContact O-CB 3.39Å; E836-K840 WeakPolarHBondContact O-CD 3.35Å; E836-K840 VanDerWaalsContact O-CG 3.26Å; E836-K840 WeakPolarHBondContact O-CG 3.4Å; E836-K840 PolarHBondContact O-N 3.22Å; E836-K840 IonicContact OE2-NZ 2.81Å; L837-K840 PolarHBondContact O-N 2.89Å; K840-I843 PolarHBondContact O-N 3.34Å; K840-N844 WeakPolarHBondContact O-CB 3.5Å; K840-N844 PolarHBondContact O-N 3.41Å; K840-N844 PolarHBondContact O-ND2 2.62Å; K840-N844 PolarHBondContact O-OD1 3.09Å |
| 841 | E | 86.5 | Confident | 87.3 | Confident | 84 Ų | 84 | 99.5 Ų | 99.5 | 39% | 0.393 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.9 | -40.8 | 176 | -179.3 | 54.5 | -159.4 | 0 | 0 | 112 | L837 V838 I843 N844 Q845 | L837-E841 WeakPolarHBondContact O-CB 3.46Å; L837-E841 PolarHBondContact O-N 3.49Å; V838-E841 PolarHBondContact O-N 2.9Å; E841-I843 VanDerWaalsContact C-N 3.31Å; E841-I843 PolarHBondContact O-N 2.81Å; E841-N844 PolarHBondContact O-N 3.1Å; E841-Q845 WeakPolarHBondContact O-CB 3.39Å; E841-Q845 VanDerWaalsContact O-CG 3.29Å; E841-Q845 WeakPolarHBondContact O-CG 3.47Å; E841-Q845 PolarHBondContact O-N 3.49Å; E841-Q845 WeakPolarHBondContact OE1-CG 3.33Å; E841-Q845 PolarHBondContact OE1-NE2 3.38Å |
| 842 | M | 84.4 | Confident | 87.3 | Confident | 88 Ų | 88 | 98 Ų | 98 | 43% | 0.433 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.3 | -36 | 173.2 | -172 | -174 | 62.8 | 0 | 0 | 112.3 | V838 K839 R846 | V838-M842 WeakPolarHBondContact O-CB 3.28Å; V838-M842 PolarHBondContact O-N 2.93Å; K839-M842 PolarHBondContact O-N 3.22Å; M842-R846 WeakPolarHBondContact O-CG 3.5Å; M842-R846 PolarHBondContact O-N 3.07Å; M842-R846 VanDerWaalsContact O-N 3.15Å |
| 843 | I | 87.3 | Confident | 87.1 | Confident | 96 Ų | 96 | 98.3 Ų | 98.3 | 49% | 0.492 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.3 | -45 | 173.6 | -68.7 | 164 | 0 | 0 | 0 | 110.4 | K839 K840 E841 Q845 R846 T847 | K839-I843 VanDerWaalsContact O-CG1 3.31Å; K839-I843 WeakPolarHBondContact O-CG1 3.34Å; K839-I843 PolarHBondContact O-N 3Å; K840-I843 PolarHBondContact O-N 3.34Å; E841-I843 VanDerWaalsContact C-N 3.31Å; E841-I843 PolarHBondContact O-N 2.81Å; I843-Q845 VanDerWaalsContact C-N 3.3Å; I843-Q845 PolarHBondContact O-N 3.04Å; I843-R846 PolarHBondContact O-N 3.17Å; I843-T847 PolarHBondContact O-N 2.84Å; I843-T847 PolarHBondContact O-OG1 3.48Å |
| 844 | N | 86.6 | Confident | 87.2 | Confident | 79 Ų | 79 | 98.8 Ų | 98.8 | 42% | 0.422 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61 | -37 | 175.8 | -67.8 | -19.9 | 0 | 0 | 0 | 112.3 | K840 E841 T847 L848 | K840-N844 WeakPolarHBondContact O-CB 3.5Å; K840-N844 PolarHBondContact O-N 3.41Å; K840-N844 PolarHBondContact O-ND2 2.62Å; K840-N844 PolarHBondContact O-OD1 3.09Å; E841-N844 PolarHBondContact O-N 3.1Å; N844-T847 WeakPolarHBondContact CA-OG1 3.35Å; N844-T847 PolarHBondContact O-OG1 2.87Å; N844-L848 VanDerWaalsContact O-CB 3.22Å; N844-L848 WeakPolarHBondContact O-CB 3.46Å; N844-L848 WeakPolarHBondContact O-CD1 3.29Å; N844-L848 VanDerWaalsContact O-CG 3.3Å; N844-L848 WeakPolarHBondContact O-CG 3.38Å; N844-L848 PolarHBondContact O-N 2.73Å |
| 845 | Q | 85.9 | Confident | 87.1 | Confident | 111 Ų | 111 | 96.4 Ų | 96.4 | 52% | 0.519 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69.4 | -33.5 | 176.6 | -74 | 175.7 | 15 | 0 | 0 | 112.4 | E841 I843 K849 | E841-Q845 WeakPolarHBondContact O-CB 3.39Å; E841-Q845 VanDerWaalsContact O-CG 3.29Å; E841-Q845 WeakPolarHBondContact O-CG 3.47Å; E841-Q845 PolarHBondContact O-N 3.49Å; E841-Q845 WeakPolarHBondContact OE1-CG 3.33Å; E841-Q845 PolarHBondContact OE1-NE2 3.38Å; I843-Q845 VanDerWaalsContact C-N 3.3Å; I843-Q845 PolarHBondContact O-N 3.04Å; Q845-K849 WeakPolarHBondContact O-CB 3.46Å; Q845-K849 PolarHBondContact O-N 3.49Å; Q845-K849 VanDerWaalsContact O-N 3.11Å |
| 846 | R | 86.9 | Confident | 87.1 | Confident | 149 Ų | 149 | 96.2 Ų | 96.2 | 56% | 0.562 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -66.7 | -53.6 | 170.6 | -69.4 | 173.6 | -170.8 | -167.4 | 1.8 | 110.7 | M842 I843 L848 K849 D850 | M842-R846 WeakPolarHBondContact O-CG 3.5Å; M842-R846 PolarHBondContact O-N 3.07Å; M842-R846 VanDerWaalsContact O-N 3.15Å; I843-R846 PolarHBondContact O-N 3.17Å; R846-L848 VanDerWaalsContact C-N 3.27Å; R846-L848 PolarHBondContact O-N 3.18Å; R846-K849 CarbonylContact O-C 3.55Å; R846-K849 WeakPolarHBondContact O-CA 3.32Å; R846-K849 VanDerWaalsContact O-CB 3.31Å; R846-K849 WeakPolarHBondContact O-CB 3.21Å; R846-K849 PolarHBondContact O-N 2.84Å; R846-D850 PolarHBondContact O-N 3.33Å |
| 847 | T | 87 | Confident | 87.2 | Confident | 70 Ų | 70 | 96 Ų | 96 | 43% | 0.429 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.6 | -31.7 | -179.5 | 58.1 | 0 | 0 | 0 | 0 | 113 | I843 N844 D850 V851 | I843-T847 PolarHBondContact O-N 2.84Å; I843-T847 PolarHBondContact O-OG1 3.48Å; N844-T847 WeakPolarHBondContact CA-OG1 3.35Å; N844-T847 PolarHBondContact O-OG1 2.87Å; T847-D850 PolarHBondContact O-N 2.77Å; T847-V851 VanDerWaalsContact O-CB 3.31Å; T847-V851 WeakPolarHBondContact O-CB 3.26Å; T847-V851 WeakPolarHBondContact O-CG2 3.02Å; T847-V851 PolarHBondContact O-N 3.28Å |
| 848 | L | 85.7 | Confident | 87.1 | Confident | 69 Ų | 69 | 94.6 Ų | 94.6 | 36% | 0.361 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.2 | -37.4 | 169.3 | -85.2 | 164.4 | 0 | 0 | 0 | 112.9 | N844 R846 Q852 | N844-L848 VanDerWaalsContact O-CB 3.22Å; N844-L848 WeakPolarHBondContact O-CB 3.46Å; N844-L848 WeakPolarHBondContact O-CD1 3.29Å; N844-L848 VanDerWaalsContact O-CG 3.3Å; N844-L848 WeakPolarHBondContact O-CG 3.38Å; N844-L848 PolarHBondContact O-N 2.73Å; R846-L848 VanDerWaalsContact C-N 3.27Å; R846-L848 PolarHBondContact O-N 3.18Å; L848-Q852 VanDerWaalsContact O-CB 3.32Å; L848-Q852 WeakPolarHBondContact O-CB 3.43Å; L848-Q852 PolarHBondContact O-N 2.81Å |
| 849 | K | 88.8 | Confident | 87 | Confident | 135 Ų | 135 | 93.7 Ų | 93.7 | 59% | 0.587 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -67.5 | -45.7 | 174.4 | -166.1 | -164.3 | 175.3 | -126.2 | 0 | 110.7 | Q845 R846 V851 Q852 E853 | Q845-K849 WeakPolarHBondContact O-CB 3.46Å; Q845-K849 PolarHBondContact O-N 3.49Å; Q845-K849 VanDerWaalsContact O-N 3.11Å; R846-K849 CarbonylContact O-C 3.55Å; R846-K849 WeakPolarHBondContact O-CA 3.32Å; R846-K849 VanDerWaalsContact O-CB 3.31Å; R846-K849 WeakPolarHBondContact O-CB 3.21Å; R846-K849 PolarHBondContact O-N 2.84Å; K849-V851 VanDerWaalsContact C-N 3.31Å; K849-V851 PolarHBondContact O-N 3.06Å; K849-Q852 WeakPolarHBondContact O-CB 3.48Å; K849-Q852 PolarHBondContact O-N 3.42Å; K849-Q852 VanDerWaalsContact O-N 3.12Å; K849-E853 IonicContact NZ-OE2 2.74Å; K849-E853 WeakPolarHBondContact O-CB 3.42Å; K849-E853 PolarHBondContact O-N 2.85Å |
| 850 | D | 85.7 | Confident | 87 | Confident | 82 Ų | 82 | 96.4 Ų | 96.4 | 44% | 0.439 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.5 | -40.7 | 178.3 | -50.2 | -27.7 | 0 | 0 | 0 | 110.9 | R846 T847 E853 L854 | R846-D850 PolarHBondContact O-N 3.33Å; T847-D850 PolarHBondContact O-N 2.77Å; D850-E853 PolarHBondContact O-N 3.3Å; D850-L854 WeakPolarHBondContact O-CB 3.41Å; D850-L854 WeakPolarHBondContact O-CG 3.29Å; D850-L854 PolarHBondContact O-N 3.12Å |
| 851 | V | 87.6 | Confident | 87.1 | Confident | 91 Ų | 91 | 96 Ų | 96 | 55% | 0.552 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -69.1 | -34.4 | 174.4 | 167.8 | 0 | 0 | 0 | 0 | 112.4 | T847 K849 L855 | T847-V851 VanDerWaalsContact O-CB 3.31Å; T847-V851 WeakPolarHBondContact O-CB 3.26Å; T847-V851 WeakPolarHBondContact O-CG2 3.02Å; T847-V851 PolarHBondContact O-N 3.28Å; K849-V851 VanDerWaalsContact C-N 3.31Å; K849-V851 PolarHBondContact O-N 3.06Å; V851-L855 VanDerWaalsContact O-CB 3.28Å; V851-L855 WeakPolarHBondContact O-CB 3.3Å; V851-L855 PolarHBondContact O-N 3.11Å |
| 852 | Q | 88 | Confident | 87.2 | Confident | 93 Ų | 93 | 99.5 Ų | 99.5 | 44% | 0.435 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.4 | -41.8 | 173.2 | 179 | 59.4 | 47.8 | 0 | 0 | 111.2 | L848 K849 L855 D856 | L848-Q852 VanDerWaalsContact O-CB 3.32Å; L848-Q852 WeakPolarHBondContact O-CB 3.43Å; L848-Q852 PolarHBondContact O-N 2.81Å; K849-Q852 WeakPolarHBondContact O-CB 3.48Å; K849-Q852 PolarHBondContact O-N 3.42Å; K849-Q852 VanDerWaalsContact O-N 3.12Å; Q852-L855 WeakPolarHBondContact O-CB 3.48Å; Q852-L855 PolarHBondContact O-N 3.03Å; Q852-D856 PolarHBondContact NE2-OD1 3.01Å; Q852-D856 PolarHBondContact NE2-OD2 2.74Å; Q852-D856 WeakPolarHBondContact O-CB 3.19Å; Q852-D856 PolarHBondContact O-N 3.34Å |
| 853 | E | 87.9 | Confident | 87.3 | Confident | 110 Ų | 110 | 99.5 Ų | 99.5 | 51% | 0.514 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.7 | -44 | 177.1 | -165.9 | 159.7 | 170.9 | 0 | 0 | 111.1 | K849 D850 L855 D856 D857 | K849-E853 IonicContact NZ-OE2 2.74Å; K849-E853 WeakPolarHBondContact O-CB 3.42Å; K849-E853 PolarHBondContact O-N 2.85Å; D850-E853 PolarHBondContact O-N 3.3Å; E853-L855 PolarHBondContact O-N 2.76Å; E853-D856 PolarHBondContact O-N 2.81Å; E853-D857 PolarHBondContact O-N 3.34Å |
| 854 | L | 89 | Confident | 87.4 | Confident | 116 Ų | 116 | 102 Ų | 102 | 61% | 0.607 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.9 | -34.7 | 171.6 | -71.8 | 170.4 | 0 | 0 | 0 | 113.6 | D850 E858 | D850-L854 WeakPolarHBondContact O-CB 3.41Å; D850-L854 WeakPolarHBondContact O-CG 3.29Å; D850-L854 PolarHBondContact O-N 3.12Å; L854-E858 WeakPolarHBondContact O-CB 3.39Å; L854-E858 WeakPolarHBondContact O-CG 3.41Å; L854-E858 PolarHBondContact O-N 3.06Å |
| 855 | L | 87.4 | Confident | 87.5 | Confident | 103 Ų | 103 | 102.9 Ų | 102.9 | 54% | 0.539 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.7 | -40.2 | 175.4 | 177.8 | 62.1 | 0 | 0 | 0 | 111.5 | V851 Q852 E853 E858 S859 | V851-L855 VanDerWaalsContact O-CB 3.28Å; V851-L855 WeakPolarHBondContact O-CB 3.3Å; V851-L855 PolarHBondContact O-N 3.11Å; Q852-L855 WeakPolarHBondContact O-CB 3.48Å; Q852-L855 PolarHBondContact O-N 3.03Å; E853-L855 PolarHBondContact O-N 2.76Å; L855-E858 PolarHBondContact O-N 3.02Å; L855-S859 WeakPolarHBondContact O-CB 3.42Å; L855-S859 PolarHBondContact O-N 3.38Å |
| 856 | D | 87.7 | Confident | 87.5 | Confident | 66 Ų | 66 | 102.9 Ų | 102.9 | 35% | 0.353 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67 | -38.8 | 175.7 | -71.3 | -29.8 | 0 | 0 | 0 | 110.7 | Q852 E853 S859 R860 | Q852-D856 PolarHBondContact NE2-OD1 3.01Å; Q852-D856 PolarHBondContact NE2-OD2 2.74Å; Q852-D856 WeakPolarHBondContact O-CB 3.19Å; Q852-D856 PolarHBondContact O-N 3.34Å; E853-D856 PolarHBondContact O-N 2.81Å; D856-S859 WeakPolarHBondContact O-CA 3.3Å; D856-S859 WeakPolarHBondContact O-CB 3.36Å; D856-S859 PolarHBondContact O-N 3.09Å; D856-S859 PolarHBondContact O-OG 3.23Å; D856-R860 WeakPolarHBondContact O-CG 3.26Å; D856-R860 PolarHBondContact O-N 2.89Å |
| 857 | D | 87.9 | Confident | 87.6 | Confident | 74 Ų | 74 | 101.2 Ų | 101.2 | 40% | 0.396 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.3 | -41.7 | 172.2 | -95.2 | 2.3 | 0 | 0 | 0 | 113.5 | E853 S859 R860 K861 | E853-D857 PolarHBondContact O-N 3.34Å; D857-S859 PolarHBondContact O-N 2.98Å; D857-R860 WeakPolarHBondContact O-CB 3.45Å; D857-R860 PolarHBondContact O-N 3.41Å; D857-R860 VanDerWaalsContact O-N 3.17Å; D857-R860 WeakPolarHBondContact OD1-CD 3.37Å; D857-R860 IonicContact OD1-NE 2.56Å; D857-K861 WeakPolarHBondContact O-CG 3.44Å; D857-K861 PolarHBondContact O-N 3.2Å |
| 858 | E | 84.6 | Confident | 87.6 | Confident | 85 Ų | 85 | 102.6 Ų | 102.6 | 40% | 0.397 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.2 | -31 | 170.2 | -80.1 | -60.8 | 128 | 0 | 0 | 112 | L854 L855 K861 R862 | L854-E858 WeakPolarHBondContact O-CB 3.39Å; L854-E858 WeakPolarHBondContact O-CG 3.41Å; L854-E858 PolarHBondContact O-N 3.06Å; L855-E858 PolarHBondContact O-N 3.02Å; E858-K861 WeakPolarHBondContact OE1-CD 3.21Å; E858-K861 WeakPolarHBondContact OE1-CE 3.39Å; E858-K861 IonicContact OE1-NZ 2.71Å; E858-K861 PolarHBondContact OE1-NZ 2.94Å; E858-R862 VanDerWaalsContact O-CB 3.3Å; E858-R862 WeakPolarHBondContact O-CB 3.4Å; E858-R862 WeakPolarHBondContact O-CD 3.19Å; E858-R862 WeakPolarHBondContact O-CG 3.11Å; E858-R862 PolarHBondContact O-N 3.36Å |
| 859 | S | 86.5 | Confident | 87.6 | Confident | 56 Ų | 56 | 103.6 Ų | 103.6 | 39% | 0.392 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.8 | -41.7 | 171.6 | 91.4 | 0 | 0 | 0 | 0 | 111.6 | L855 D856 D857 R862 T863 | L855-S859 WeakPolarHBondContact O-CB 3.42Å; L855-S859 PolarHBondContact O-N 3.38Å; D856-S859 WeakPolarHBondContact O-CA 3.3Å; D856-S859 WeakPolarHBondContact O-CB 3.36Å; D856-S859 PolarHBondContact O-N 3.09Å; D856-S859 PolarHBondContact O-OG 3.23Å; D857-S859 PolarHBondContact O-N 2.98Å; S859-R862 PolarHBondContact O-N 2.91Å; S859-T863 PolarHBondContact O-N 3.08Å; S859-T863 PolarHBondContact O-OG1 2.7Å |
| 860 | R | 87.8 | Confident | 87.6 | Confident | 157 Ų | 157 | 103 Ų | 103 | 59% | 0.592 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.5 | -45 | 175.6 | -66.8 | 167.6 | -160.8 | -115.3 | 6.6 | 111.4 | D856 D857 T863 K864 | D856-R860 WeakPolarHBondContact O-CG 3.26Å; D856-R860 PolarHBondContact O-N 2.89Å; D857-R860 WeakPolarHBondContact O-CB 3.45Å; D857-R860 PolarHBondContact O-N 3.41Å; D857-R860 VanDerWaalsContact O-N 3.17Å; D857-R860 WeakPolarHBondContact OD1-CD 3.37Å; D857-R860 IonicContact OD1-NE 2.56Å; R860-T863 WeakPolarHBondContact CA-OG1 3.46Å; R860-T863 PolarHBondContact O-N 2.64Å; R860-T863 PolarHBondContact O-OG1 3.39Å; R860-K864 PolarHBondContact O-N 2.94Å |
| 861 | K | 89.4 | Confident | 87.6 | Confident | 103 Ų | 103 | 103.2 Ų | 103.2 | 45% | 0.448 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.4 | -44.5 | 174.1 | -68 | 176.9 | -145 | 165.6 | 0 | 111.4 | D857 E858 T863 K864 L865 | D857-K861 WeakPolarHBondContact O-CG 3.44Å; D857-K861 PolarHBondContact O-N 3.2Å; E858-K861 WeakPolarHBondContact OE1-CD 3.21Å; E858-K861 WeakPolarHBondContact OE1-CE 3.39Å; E858-K861 IonicContact OE1-NZ 2.71Å; E858-K861 PolarHBondContact OE1-NZ 2.94Å; K861-T863 PolarHBondContact O-N 2.83Å; K861-K864 PolarHBondContact O-N 3.43Å; K861-L865 WeakPolarHBondContact O-CB 3.48Å; K861-L865 WeakPolarHBondContact O-CG 3.15Å; K861-L865 PolarHBondContact O-N 2.94Å |
| 862 | R | 88.2 | Confident | 87.5 | Confident | 157 Ų | 157 | 103.2 Ų | 103.2 | 59% | 0.592 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -59.9 | -44.8 | 174.6 | -78.7 | 168 | 174.9 | -88.2 | -4.6 | 112.3 | E858 S859 K864 L865 E866 | E858-R862 VanDerWaalsContact O-CB 3.3Å; E858-R862 WeakPolarHBondContact O-CB 3.4Å; E858-R862 WeakPolarHBondContact O-CD 3.19Å; E858-R862 WeakPolarHBondContact O-CG 3.11Å; E858-R862 PolarHBondContact O-N 3.36Å; S859-R862 PolarHBondContact O-N 2.91Å; R862-K864 PolarHBondContact O-N 3.42Å; R862-L865 PolarHBondContact O-N 2.82Å; R862-E866 VanDerWaalsContact O-CB 3.31Å; R862-E866 WeakPolarHBondContact O-CB 3.08Å; R862-E866 WeakPolarHBondContact O-CG 3.31Å; R862-E866 PolarHBondContact O-N 3.22Å |
| 863 | T | 88.4 | Confident | 87.3 | Confident | 87 Ų | 87 | 105.2 Ų | 105.2 | 53% | 0.534 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.3 | -36.7 | 177.5 | 48.9 | 0 | 0 | 0 | 0 | 112.8 | S859 R860 K861 E866 Q867 | S859-T863 PolarHBondContact O-N 3.08Å; S859-T863 PolarHBondContact O-OG1 2.7Å; R860-T863 WeakPolarHBondContact CA-OG1 3.46Å; R860-T863 PolarHBondContact O-N 2.64Å; R860-T863 PolarHBondContact O-OG1 3.39Å; K861-T863 PolarHBondContact O-N 2.83Å; T863-E866 PolarHBondContact O-N 3.42Å; T863-Q867 WeakPolarHBondContact O-CB 3.06Å; T863-Q867 PolarHBondContact O-N 3.34Å |
| 864 | K | 89.5 | Confident | 87.1 | Confident | 148 Ų | 148 | 105.5 Ų | 105.5 | 64% | 0.643 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.7 | -48.8 | 171.2 | -75.6 | -174.5 | 174.2 | -171.4 | 0 | 111.6 | R860 K861 R862 E866 Q867 Q868 | R860-K864 PolarHBondContact O-N 2.94Å; K861-K864 PolarHBondContact O-N 3.43Å; R862-K864 PolarHBondContact O-N 3.42Å; K864-E866 VanDerWaalsContact C-N 3.35Å; K864-E866 PolarHBondContact O-N 3Å; K864-Q867 WeakPolarHBondContact O-CB 3.32Å; K864-Q867 PolarHBondContact O-N 2.89Å; K864-Q867 VanDerWaalsContact O-N 3.1Å; K864-Q868 WeakPolarHBondContact O-CG 3.39Å; K864-Q868 PolarHBondContact O-N 2.83Å |
| 865 | L | 87.1 | Confident | 86.9 | Confident | 98 Ų | 98 | 104.9 Ų | 104.9 | 51% | 0.513 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.7 | -34.2 | 178 | -71.3 | 168.9 | 0 | 0 | 0 | 112.6 | K861 R862 Q867 N869 | K861-L865 WeakPolarHBondContact O-CB 3.48Å; K861-L865 WeakPolarHBondContact O-CG 3.15Å; K861-L865 PolarHBondContact O-N 2.94Å; R862-L865 PolarHBondContact O-N 2.82Å; L865-Q867 VanDerWaalsContact C-N 3.32Å; L865-N869 WeakPolarHBondContact O-CB 3.49Å; L865-N869 PolarHBondContact O-N 3.09Å; L865-N869 PolarHBondContact O-ND2 2.95Å |
| 866 | E | 86.4 | Confident | 86.3 | Confident | 112 Ų | 112 | 103.8 Ų | 103.8 | 52% | 0.523 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -73.5 | -21.4 | 172.8 | -78.4 | -174.2 | -164.5 | 0 | 0 | 113 | R862 T863 K864 K870 | R862-E866 VanDerWaalsContact O-CB 3.31Å; R862-E866 WeakPolarHBondContact O-CB 3.08Å; R862-E866 WeakPolarHBondContact O-CG 3.31Å; R862-E866 PolarHBondContact O-N 3.22Å; T863-E866 PolarHBondContact O-N 3.42Å; K864-E866 VanDerWaalsContact C-N 3.35Å; K864-E866 PolarHBondContact O-N 3Å; E866-K870 WeakPolarHBondContact O-CG 3.4Å; E866-K870 PolarHBondContact O-NZ 3.12Å |
| 867 | Q | 88.8 | Confident | 85.9 | Confident | 113 Ų | 113 | 103.2 Ų | 103.2 | 53% | 0.528 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -79 | -50.2 | 169.4 | 174.4 | 171.1 | -16.8 | 0 | 0 | 110 | T863 K864 L865 N869 K870 E871 | T863-Q867 WeakPolarHBondContact O-CB 3.06Å; T863-Q867 PolarHBondContact O-N 3.34Å; K864-Q867 WeakPolarHBondContact O-CB 3.32Å; K864-Q867 PolarHBondContact O-N 2.89Å; K864-Q867 VanDerWaalsContact O-N 3.1Å; L865-Q867 VanDerWaalsContact C-N 3.32Å; Q867-N869 VanDerWaalsContact C-N 3.28Å; Q867-N869 PolarHBondContact O-N 3.32Å; Q867-K870 WeakPolarHBondContact O-CA 3.39Å; Q867-K870 WeakPolarHBondContact O-CB 3.46Å; Q867-K870 PolarHBondContact O-N 3.12Å; Q867-E871 WeakPolarHBondContact CG-OE1 3.39Å; Q867-E871 PolarHBondContact NE2-OE1 3.37Å; Q867-E871 PolarHBondContact O-N 2.91Å |
| 868 | Q | 87.9 | Confident | 85.4 | Confident | 99 Ų | 99 | 104.4 Ų | 104.4 | 46% | 0.463 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.8 | -36.2 | 175.9 | -70.9 | 176.2 | -51 | 0 | 0 | 112.5 | K864 K870 E871 L872 | K864-Q868 WeakPolarHBondContact O-CG 3.39Å; K864-Q868 PolarHBondContact O-N 2.83Å; Q868-K870 VanDerWaalsContact C-N 3.33Å; Q868-K870 PolarHBondContact O-N 2.84Å; Q868-E871 PolarHBondContact O-N 2.9Å; Q868-L872 WeakPolarHBondContact O-CB 3.42Å; Q868-L872 VanDerWaalsContact O-CG 3.27Å; Q868-L872 WeakPolarHBondContact O-CG 3.41Å; Q868-L872 PolarHBondContact O-N 2.8Å |
| 869 | N | 84.3 | Confident | 84.8 | Confident | 91 Ų | 91 | 105.1 Ų | 105.1 | 49% | 0.487 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.3 | -31.5 | 172.1 | -87.7 | -96.8 | 0 | 0 | 0 | 112.7 | L865 Q867 E873 | L865-N869 WeakPolarHBondContact O-CB 3.49Å; L865-N869 PolarHBondContact O-N 3.09Å; L865-N869 PolarHBondContact O-ND2 2.95Å; Q867-N869 VanDerWaalsContact C-N 3.28Å; Q867-N869 PolarHBondContact O-N 3.32Å; N869-E873 VanDerWaalsContact O-CB 3.23Å; N869-E873 WeakPolarHBondContact O-CB 3.45Å; N869-E873 VanDerWaalsContact O-CG 3.23Å; N869-E873 WeakPolarHBondContact O-CG 3.29Å; N869-E873 PolarHBondContact O-N 2.86Å |
| 870 | K | 88.7 | Confident | 84 | Confident | 123 Ų | 123 | 110.2 Ų | 110.2 | 54% | 0.535 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -73.7 | -37.6 | 173.9 | -70.3 | 178.4 | -163.5 | 83.4 | 0 | 111.8 | E866 Q867 Q868 E873 Q874 | E866-K870 WeakPolarHBondContact O-CG 3.4Å; E866-K870 PolarHBondContact O-NZ 3.12Å; Q867-K870 WeakPolarHBondContact O-CA 3.39Å; Q867-K870 WeakPolarHBondContact O-CB 3.46Å; Q867-K870 PolarHBondContact O-N 3.12Å; Q868-K870 VanDerWaalsContact C-N 3.33Å; Q868-K870 PolarHBondContact O-N 2.84Å; K870-E873 PolarHBondContact O-N 2.82Å; K870-Q874 VanDerWaalsContact O-CB 3.3Å; K870-Q874 WeakPolarHBondContact O-CB 3.44Å; K870-Q874 PolarHBondContact O-N 2.81Å |
| 871 | E | 86.6 | Confident | 82.8 | Confident | 85 Ų | 85 | 109.4 Ų | 109.4 | 40% | 0.397 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.9 | -43.7 | 174.4 | -70.2 | 158.1 | -179.3 | 0 | 0 | 110.2 | Q867 Q868 Q874 Q875 | Q867-E871 WeakPolarHBondContact CG-OE1 3.39Å; Q867-E871 PolarHBondContact NE2-OE1 3.37Å; Q867-E871 PolarHBondContact O-N 2.91Å; Q868-E871 PolarHBondContact O-N 2.9Å; E871-Q874 PolarHBondContact O-N 3.46Å; E871-Q875 WeakPolarHBondContact O-CB 3.17Å; E871-Q875 WeakPolarHBondContact O-CG 3.26Å; E871-Q875 PolarHBondContact O-N 2.93Å |
| 872 | L | 84.8 | Confident | 81.3 | Confident | 92 Ų | 92 | 114.2 Ų | 114.2 | 48% | 0.482 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.4 | -37.9 | 172.2 | -70.8 | 167.3 | 0 | 0 | 0 | 113.4 | Q868 Q874 Q875 L876 | Q868-L872 WeakPolarHBondContact O-CB 3.42Å; Q868-L872 VanDerWaalsContact O-CG 3.27Å; Q868-L872 WeakPolarHBondContact O-CG 3.41Å; Q868-L872 PolarHBondContact O-N 2.8Å; L872-Q874 VanDerWaalsContact C-N 3.3Å; L872-Q875 PolarHBondContact O-N 3.31Å; L872-L876 VanDerWaalsContact O-CB 3.23Å; L872-L876 WeakPolarHBondContact O-CB 3.34Å; L872-L876 VanDerWaalsContact O-CG 3.23Å; L872-L876 WeakPolarHBondContact O-CG 3.42Å; L872-L876 PolarHBondContact O-N 2.84Å |
| 873 | E | 84.4 | Confident | 79.6 | Confident | 135 Ų | 135 | 112.6 Ų | 112.6 | 63% | 0.631 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.8 | -35.2 | 172.9 | -83 | 179.2 | 167.5 | 0 | 0 | 111.5 | N869 K870 A877 | N869-E873 VanDerWaalsContact O-CB 3.23Å; N869-E873 WeakPolarHBondContact O-CB 3.45Å; N869-E873 VanDerWaalsContact O-CG 3.23Å; N869-E873 WeakPolarHBondContact O-CG 3.29Å; N869-E873 PolarHBondContact O-N 2.86Å; K870-E873 PolarHBondContact O-N 2.82Å; E873-A877 WeakPolarHBondContact O-CB 3.5Å; E873-A877 PolarHBondContact O-N 2.76Å |
| 874 | Q | 83.9 | Confident | 77.7 | Confident | 116 Ų | 116 | 114.8 Ų | 114.8 | 54% | 0.542 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -71.3 | -47.5 | 174.2 | 179.6 | 172.8 | -23.1 | 0 | 0 | 111.2 | K870 E871 L872 L876 A877 E878 | K870-Q874 VanDerWaalsContact O-CB 3.3Å; K870-Q874 WeakPolarHBondContact O-CB 3.44Å; K870-Q874 PolarHBondContact O-N 2.81Å; E871-Q874 PolarHBondContact O-N 3.46Å; L872-Q874 VanDerWaalsContact C-N 3.3Å; Q874-L876 VanDerWaalsContact C-N 3.29Å; Q874-L876 PolarHBondContact O-N 2.86Å; Q874-A877 CarbonylContact O-C 3.58Å; Q874-A877 WeakPolarHBondContact O-CA 3.3Å; Q874-A877 WeakPolarHBondContact O-CB 3.23Å; Q874-A877 PolarHBondContact O-N 3.41Å; Q874-E878 HydrophobicContact CG-CG 4.41Å; Q874-E878 VanDerWaalsContact CG-OE1 3.27Å; Q874-E878 WeakPolarHBondContact CG-OE1 3.25Å; Q874-E878 PolarHBondContact NE2-OE1 3.16Å; Q874-E878 WeakPolarHBondContact O-CG 3.38Å; Q874-E878 PolarHBondContact O-N 3.12Å |
| 875 | Q | 84.6 | Confident | 75.7 | Confident | 103 Ų | 103 | 111.4 Ų | 111.4 | 48% | 0.481 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -58.8 | -39.9 | 173.6 | -74.3 | 172.7 | -11 | 0 | 0 | 111.6 | E871 L872 A877 E878 L879 | E871-Q875 WeakPolarHBondContact O-CB 3.17Å; E871-Q875 WeakPolarHBondContact O-CG 3.26Å; E871-Q875 PolarHBondContact O-N 2.93Å; L872-Q875 PolarHBondContact O-N 3.31Å; Q875-A877 VanDerWaalsContact C-N 3.28Å; Q875-A877 PolarHBondContact O-N 3.08Å; Q875-E878 PolarHBondContact O-N 2.78Å; Q875-L879 VanDerWaalsContact O-CB 3.24Å; Q875-L879 WeakPolarHBondContact O-CB 3.49Å; Q875-L879 VanDerWaalsContact O-CG 3.23Å; Q875-L879 WeakPolarHBondContact O-CG 3.31Å; Q875-L879 PolarHBondContact O-N 2.92Å |
| 876 | L | 75.5 | Confident | 73.9 | Confident | 80 Ų | 80 | 113.1 Ų | 113.1 | 42% | 0.419 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -70.8 | -18.5 | 173.3 | -75 | 170.8 | 0 | 0 | 0 | 113.8 | L872 Q874 R880 | L872-L876 VanDerWaalsContact O-CB 3.23Å; L872-L876 WeakPolarHBondContact O-CB 3.34Å; L872-L876 VanDerWaalsContact O-CG 3.23Å; L872-L876 WeakPolarHBondContact O-CG 3.42Å; L872-L876 PolarHBondContact O-N 2.84Å; Q874-L876 VanDerWaalsContact C-N 3.29Å; Q874-L876 PolarHBondContact O-N 2.86Å; L876-R880 WeakPolarHBondContact O-CD 3.34Å; L876-R880 WeakPolarHBondContact O-CG 3.33Å; L876-R880 PolarHBondContact O-N 2.73Å; L876-R880 PolarHBondContact O-NE 3.22Å |
| 877 | A | 78.8 | Confident | 72.1 | Confident | 54 Ų | 54 | 112.7 Ų | 112.7 | 45% | 0.446 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -83.6 | -41.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | E873 Q874 Q875 R880 E881 | E873-A877 WeakPolarHBondContact O-CB 3.5Å; E873-A877 PolarHBondContact O-N 2.76Å; Q874-A877 CarbonylContact O-C 3.58Å; Q874-A877 WeakPolarHBondContact O-CA 3.3Å; Q874-A877 WeakPolarHBondContact O-CB 3.23Å; Q874-A877 PolarHBondContact O-N 3.41Å; Q875-A877 VanDerWaalsContact C-N 3.28Å; Q875-A877 PolarHBondContact O-N 3.08Å; A877-R880 WeakPolarHBondContact O-CB 3.44Å; A877-R880 PolarHBondContact O-N 2.92Å; A877-R880 VanDerWaalsContact O-N 3.09Å; A877-E881 PolarHBondContact O-N 2.86Å |
| 878 | E | 76.6 | Confident | 70.6 | Confident | 99 Ų | 99 | 113.5 Ų | 113.5 | 46% | 0.463 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.9 | -43.9 | 175.5 | -70.7 | 167.4 | -176.9 | 0 | 0 | 110.9 | Q874 Q875 R880 E881 Y882 | Q874-E878 HydrophobicContact CG-CG 4.41Å; Q874-E878 VanDerWaalsContact CG-OE1 3.27Å; Q874-E878 WeakPolarHBondContact CG-OE1 3.25Å; Q874-E878 PolarHBondContact NE2-OE1 3.16Å; Q874-E878 WeakPolarHBondContact O-CG 3.38Å; Q874-E878 PolarHBondContact O-N 3.12Å; Q875-E878 PolarHBondContact O-N 2.78Å; E878-R880 PolarHBondContact O-N 3.22Å; E878-E881 PolarHBondContact O-N 3.09Å; E878-Y882 WeakPolarHBondContact O-CB 3.32Å; E878-Y882 PolarHBondContact O-N 2.84Å |
| 879 | L | 72.2 | Confident | 69 | Low | 100 Ų | 100 | 112.3 Ų | 112.3 | 52% | 0.524 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.8 | -18.2 | 171.3 | -71.4 | 170.4 | 0 | 0 | 0 | 113.5 | Q875 N883 | Q875-L879 VanDerWaalsContact O-CB 3.24Å; Q875-L879 WeakPolarHBondContact O-CB 3.49Å; Q875-L879 VanDerWaalsContact O-CG 3.23Å; Q875-L879 WeakPolarHBondContact O-CG 3.31Å; Q875-L879 PolarHBondContact O-N 2.92Å; L879-N883 WeakPolarHBondContact O-CB 3.22Å; L879-N883 PolarHBondContact O-N 2.86Å; L879-N883 PolarHBondContact O-ND2 2.99Å |
| 880 | R | 69.1 | Low | 67.8 | Low | 163 Ų | 163 | 111.1 Ų | 111.1 | 62% | 0.615 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -83.5 | -42.7 | 168.9 | -75.2 | 167.9 | -163 | -159.9 | 3.9 | 111.6 | L876 A877 E878 Y882 N883 E884 | L876-R880 WeakPolarHBondContact O-CD 3.34Å; L876-R880 WeakPolarHBondContact O-CG 3.33Å; L876-R880 PolarHBondContact O-N 2.73Å; L876-R880 PolarHBondContact O-NE 3.22Å; A877-R880 WeakPolarHBondContact O-CB 3.44Å; A877-R880 PolarHBondContact O-N 2.92Å; A877-R880 VanDerWaalsContact O-N 3.09Å; E878-R880 PolarHBondContact O-N 3.22Å; R880-Y882 PolarHBondContact O-N 3.2Å; R880-N883 CarbonylContact O-C 3.59Å; R880-N883 PolarHBondContact O-N 3.34Å; R880-E884 PolarHBondContact O-N 3.21Å |
| 881 | E | 64.3 | Low | 66.7 | Low | 139 Ų | 139 | 108.3 Ų | 108.3 | 65% | 0.65 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.9 | -23.3 | 171.9 | -163.5 | 169.5 | 169.3 | 0 | 0 | 111.3 | A877 E878 R1282 | A877-E881 PolarHBondContact O-N 2.86Å; E878-E881 PolarHBondContact O-N 3.09Å; E881-R1282 IonicContact OE1-NH2 2.93Å |
| 882 | Y | 57.8 | Low | 66.1 | Low | 204 Ų | 204 | 111.2 Ų | 111.2 | 80% | 0.8 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -22 | 171.7 | -131.3 | -86.5 | 0 | 0 | 0 | 115.3 | E878 R880 | E878-Y882 WeakPolarHBondContact O-CB 3.32Å; E878-Y882 PolarHBondContact O-N 2.84Å; R880-Y882 PolarHBondContact O-N 3.2Å |
| 883 | N | 52.3 | Low | 65.6 | Low | 123 Ų | 123 | 112.2 Ų | 112.2 | 66% | 0.658 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.1 | 2.8 | -177.8 | -75.5 | -72.5 | 0 | 0 | 0 | 114.4 | L879 R880 P885 | L879-N883 WeakPolarHBondContact O-CB 3.22Å; L879-N883 PolarHBondContact O-N 2.86Å; L879-N883 PolarHBondContact O-ND2 2.99Å; R880-N883 CarbonylContact O-C 3.59Å; R880-N883 PolarHBondContact O-N 3.34Å; N883-P885 WeakPolarHBondContact O-CD 3.45Å |
| 884 | E | 47.6 | Very low | 65.1 | Low | 133 Ų | 133 | 113.4 Ų | 113.4 | 62% | 0.621 | 55% | 0.546 | S | S | * | . | trans | -103.1 | 75.7 | 162.6 | -72.1 | -176 | 172.3 | 0 | 0 | 109.9 | R880 E886 | R880-E884 PolarHBondContact O-N 3.21Å; E884-E886 PolarHBondContact O-N 3.49Å | ||
| 885 | P | 47 | Very low | 65 | Low | 78 Ų | 78 | 113.5 Ų | 113.5 | 51% | 0.506 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -72.1 | 74.5 | 176.1 | 32.3 | -37.4 | 0 | 0 | 0 | 111.2 | N883 D887 V890 | N883-P885 WeakPolarHBondContact O-CD 3.45Å; P885-D887 PolarHBondContact O-N 3.15Å; P885-V890 HydrophobicContact CB-CG2 4.2Å; P885-V890 HydrophobicContact CG-CG2 3.95Å; P885-V890 WeakPolarHBondContact O-CG2 3.34Å |
| 886 | E | 50.2 | Low | 64.8 | Low | 133 Ų | 133 | 111.7 Ų | 111.7 | 62% | 0.621 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 32.9 | 78.1 | -174.4 | -70.4 | -161.2 | 156.3 | 0 | 0 | 112.6 | E884 D888 L889 | E884-E886 PolarHBondContact O-N 3.49Å; E886-D888 PolarHBondContact O-N 2.95Å; E886-L889 PolarHBondContact O-N 3.25Å |
| 887 | D | 48.6 | Very low | 65.2 | Low | 104 Ų | 104 | 111.7 Ų | 111.7 | 56% | 0.556 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -40.6 | -36.9 | -170.2 | -112.2 | 0.5 | 0 | 0 | 0 | 115.1 | P885 L889 T891 | P885-D887 PolarHBondContact O-N 3.15Å; D887-L889 VanDerWaalsContact C-N 3.28Å; D887-L889 PolarHBondContact O-N 3.48Å; D887-T891 WeakPolarHBondContact O-CA 3.42Å; D887-T891 WeakPolarHBondContact O-CB 3.33Å; D887-T891 PolarHBondContact O-N 3.49Å; D887-T891 PolarHBondContact O-OG1 3.45Å |
| 888 | D | 56.6 | Low | 65.4 | Low | 129 Ų | 129 | 114 Ų | 114 | 69% | 0.69 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -57.6 | -33.4 | 175.4 | -84.1 | -21.9 | 0 | 0 | 0 | 113.8 | E886 R892 | E886-D888 PolarHBondContact O-N 2.95Å; D888-R892 WeakPolarHBondContact O-CB 3.47Å; D888-R892 WeakPolarHBondContact O-CG 3.46Å; D888-R892 VanDerWaalsContact O-CZ 3.31Å; D888-R892 PolarHBondContact O-N 3.45Å; D888-R892 PolarHBondContact O-NE 3.1Å; D888-R892 PolarHBondContact O-NH2 3.5Å |
| 889 | L | 54.9 | Low | 65.9 | Low | 74 Ų | 74 | 112.2 Ų | 112.2 | 39% | 0.387 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -82.6 | -53.7 | -178.5 | -173.3 | 65.9 | 0 | 0 | 0 | 111.3 | E886 D887 T891 R892 E893 | E886-L889 PolarHBondContact O-N 3.25Å; D887-L889 VanDerWaalsContact C-N 3.28Å; D887-L889 PolarHBondContact O-N 3.48Å; L889-T891 VanDerWaalsContact C-N 3.26Å; L889-T891 PolarHBondContact O-N 3.27Å; L889-R892 WeakPolarHBondContact O-CA 3.41Å; L889-R892 WeakPolarHBondContact O-CB 3.44Å; L889-R892 PolarHBondContact O-N 2.91Å; L889-E893 PolarHBondContact O-N 3.43Å |
| 890 | V | 58.3 | Low | 66.8 | Low | 67 Ų | 67 | 114 Ų | 114 | 41% | 0.406 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.9 | -33.7 | 177.4 | 175.4 | 0 | 0 | 0 | 0 | 111.1 | P885 E893 W894 | P885-V890 HydrophobicContact CB-CG2 4.2Å; P885-V890 HydrophobicContact CG-CG2 3.95Å; P885-V890 WeakPolarHBondContact O-CG2 3.34Å; V890-E893 PolarHBondContact O-N 3.25Å; V890-W894 WeakPolarHBondContact O-CB 3.4Å; V890-W894 PolarHBondContact O-N 3.08Å |
| 891 | T | 66.8 | Low | 67.7 | Low | 64 Ų | 64 | 111.4 Ų | 111.4 | 39% | 0.393 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.9 | -39.6 | 170.4 | -60.7 | 0 | 0 | 0 | 0 | 111.9 | D887 L889 W894 E895 | D887-T891 WeakPolarHBondContact O-CA 3.42Å; D887-T891 WeakPolarHBondContact O-CB 3.33Å; D887-T891 PolarHBondContact O-N 3.49Å; D887-T891 PolarHBondContact O-OG1 3.45Å; L889-T891 VanDerWaalsContact C-N 3.26Å; L889-T891 PolarHBondContact O-N 3.27Å; T891-W894 PolarHBondContact O-N 2.81Å; T891-E895 HydrophobicContact CG2-CG 4.28Å; T891-E895 VanDerWaalsContact O-CB 3.3Å; T891-E895 WeakPolarHBondContact O-CB 3.16Å; T891-E895 WeakPolarHBondContact O-CG 3.21Å; T891-E895 PolarHBondContact O-N 3.05Å |
| 892 | R | 73.7 | Confident | 68.9 | Low | 145 Ų | 145 | 110.8 Ų | 110.8 | 55% | 0.547 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.6 | -41 | 175.1 | -89.5 | 176.1 | -77.1 | 137.1 | -1 | 112.4 | D888 L889 S896 | D888-R892 WeakPolarHBondContact O-CB 3.47Å; D888-R892 WeakPolarHBondContact O-CG 3.46Å; D888-R892 VanDerWaalsContact O-CZ 3.31Å; D888-R892 PolarHBondContact O-N 3.45Å; D888-R892 PolarHBondContact O-NE 3.1Å; D888-R892 PolarHBondContact O-NH2 3.5Å; L889-R892 WeakPolarHBondContact O-CA 3.41Å; L889-R892 WeakPolarHBondContact O-CB 3.44Å; L889-R892 PolarHBondContact O-N 2.91Å; R892-S896 VanDerWaalsContact O-CB 3.31Å; R892-S896 WeakPolarHBondContact O-CB 3.32Å; R892-S896 PolarHBondContact O-N 3.35Å |
| 893 | E | 73.5 | Confident | 70.4 | Confident | 113 Ų | 113 | 103.5 Ų | 103.5 | 53% | 0.528 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.2 | -42.3 | 176.5 | -68.6 | -174.4 | 168.3 | 0 | 0 | 111.5 | L889 V890 S896 I897 | L889-E893 PolarHBondContact O-N 3.43Å; V890-E893 PolarHBondContact O-N 3.25Å; E893-S896 WeakPolarHBondContact O-CB 3.36Å; E893-S896 PolarHBondContact O-N 3.09Å; E893-S896 VanDerWaalsContact O-N 3.16Å; E893-I897 VanDerWaalsContact O-CG1 3.32Å; E893-I897 WeakPolarHBondContact O-CG1 3.47Å; E893-I897 PolarHBondContact O-N 3Å |
| 894 | W | 74.7 | Confident | 72.2 | Confident | 160 Ų | 160 | 101.1 Ų | 101.1 | 61% | 0.606 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.8 | -40.9 | 174.2 | -172.3 | -124.6 | 0 | 0 | 0 | 112.4 | V890 T891 S896 K898 | V890-W894 WeakPolarHBondContact O-CB 3.4Å; V890-W894 PolarHBondContact O-N 3.08Å; T891-W894 PolarHBondContact O-N 2.81Å; W894-S896 VanDerWaalsContact C-N 3.32Å; W894-S896 PolarHBondContact O-N 3.35Å; W894-K898 WeakPolarHBondContact O-CB 3.48Å; W894-K898 PolarHBondContact O-N 2.93Å |
| 895 | E | 80.9 | Confident | 74.2 | Confident | 118 Ų | 118 | 97.7 Ų | 97.7 | 55% | 0.551 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.5 | -32.7 | 172.6 | -75.8 | -163.5 | 149.7 | 0 | 0 | 112.5 | T891 S899 | T891-E895 HydrophobicContact CG2-CG 4.28Å; T891-E895 VanDerWaalsContact O-CB 3.3Å; T891-E895 WeakPolarHBondContact O-CB 3.16Å; T891-E895 WeakPolarHBondContact O-CG 3.21Å; T891-E895 PolarHBondContact O-N 3.05Å; E895-S899 WeakPolarHBondContact O-CB 3.41Å; E895-S899 PolarHBondContact O-N 3.25Å; E895-S899 PolarHBondContact O-OG 3.49Å |
| 896 | S | 81.3 | Confident | 76.2 | Confident | 65 Ų | 65 | 99 Ų | 99 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.5 | -53.6 | 172.7 | -175.8 | 0 | 0 | 0 | 0 | 111.5 | R892 E893 W894 K898 S899 K900 | R892-S896 VanDerWaalsContact O-CB 3.31Å; R892-S896 WeakPolarHBondContact O-CB 3.32Å; R892-S896 PolarHBondContact O-N 3.35Å; E893-S896 WeakPolarHBondContact O-CB 3.36Å; E893-S896 PolarHBondContact O-N 3.09Å; E893-S896 VanDerWaalsContact O-N 3.16Å; W894-S896 VanDerWaalsContact C-N 3.32Å; W894-S896 PolarHBondContact O-N 3.35Å; S896-K898 VanDerWaalsContact C-N 3.35Å; S896-K898 PolarHBondContact O-N 2.79Å; S896-S899 CarbonylContact O-C 3.58Å; S896-S899 WeakPolarHBondContact O-CA 3.48Å; S896-S899 WeakPolarHBondContact O-CB 3.32Å; S896-S899 PolarHBondContact O-N 2.89Å; S896-K900 PolarHBondContact O-N 3.22Å |
| 897 | I | 83.6 | Confident | 78.2 | Confident | 81 Ų | 81 | 98.6 Ų | 98.6 | 42% | 0.415 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -56.9 | -47.8 | 176.5 | -68.8 | 163.5 | 0 | 0 | 0 | 110.6 | E893 S899 K900 L901 | E893-I897 VanDerWaalsContact O-CG1 3.32Å; E893-I897 WeakPolarHBondContact O-CG1 3.47Å; E893-I897 PolarHBondContact O-N 3Å; I897-S899 PolarHBondContact O-N 2.81Å; I897-K900 PolarHBondContact O-N 2.81Å; I897-L901 HydrophobicContact CG2-CD1 3.97Å; I897-L901 WeakPolarHBondContact O-CG 3.43Å; I897-L901 PolarHBondContact O-N 3.4Å |
| 898 | K | 84.2 | Confident | 80.1 | Confident | 101 Ų | 101 | 101.5 Ų | 101.5 | 44% | 0.439 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.5 | -20.7 | 175.8 | -169.8 | 177.7 | -174.8 | 174.2 | 0 | 112.9 | W894 S896 R902 | W894-K898 WeakPolarHBondContact O-CB 3.48Å; W894-K898 PolarHBondContact O-N 2.93Å; S896-K898 VanDerWaalsContact C-N 3.35Å; S896-K898 PolarHBondContact O-N 2.79Å; K898-R902 VanDerWaalsContact C-NH1 3.28Å; K898-R902 VanDerWaalsContact O-CG 3.26Å; K898-R902 WeakPolarHBondContact O-CG 3.27Å; K898-R902 PolarHBondContact O-N 2.91Å; K898-R902 PolarHBondContact O-NH1 2.98Å |
| 899 | S | 86.2 | Confident | 81.8 | Confident | 62 Ų | 62 | 101 Ų | 101 | 43% | 0.434 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -87.7 | -34 | 174.8 | -60.3 | 0 | 0 | 0 | 0 | 112.6 | E895 S896 I897 R902 A903 | E895-S899 WeakPolarHBondContact O-CB 3.41Å; E895-S899 PolarHBondContact O-N 3.25Å; E895-S899 PolarHBondContact O-OG 3.49Å; S896-S899 CarbonylContact O-C 3.58Å; S896-S899 WeakPolarHBondContact O-CA 3.48Å; S896-S899 WeakPolarHBondContact O-CB 3.32Å; S896-S899 PolarHBondContact O-N 2.89Å; I897-S899 PolarHBondContact O-N 2.81Å; S899-R902 PolarHBondContact O-N 3.04Å; S899-R902 PolarHBondContact OG-NH1 3.15Å; S899-R902 VanDerWaalsContact OG-NH1 3.09Å; S899-A903 PolarHBondContact O-N 3.01Å; S899-A903 VanDerWaalsContact O-N 3.1Å |
| 900 | K | 90.2 | Very high | 83.5 | Confident | 137 Ų | 137 | 104.4 Ų | 104.4 | 60% | 0.596 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -58.4 | -58.8 | 164.5 | -67.1 | -175.1 | 177.1 | -173.4 | 0 | 110.4 | S896 I897 R902 A903 D904 | S896-K900 PolarHBondContact O-N 3.22Å; I897-K900 PolarHBondContact O-N 2.81Å; K900-R902 PolarHBondContact O-N 3.28Å; K900-A903 CarbonylContact O-C 3.54Å; K900-A903 VanDerWaalsContact O-CA 3.32Å; K900-A903 WeakPolarHBondContact O-CA 3.35Å; K900-A903 VanDerWaalsContact O-CB 3.29Å; K900-A903 WeakPolarHBondContact O-CB 3.35Å; K900-A903 PolarHBondContact O-N 2.98Å; K900-D904 PolarHBondContact O-N 3.18Å |
| 901 | L | 89.1 | Confident | 85 | Confident | 109 Ų | 109 | 103.1 Ų | 103.1 | 57% | 0.571 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -53.8 | -32.5 | 178.6 | -73.3 | 168.2 | 0 | 0 | 0 | 114.1 | I897 D904 A905 | I897-L901 HydrophobicContact CG2-CD1 3.97Å; I897-L901 WeakPolarHBondContact O-CG 3.43Å; I897-L901 PolarHBondContact O-N 3.4Å; L901-D904 PolarHBondContact N-OD2 3.46Å; L901-A905 WeakPolarHBondContact O-CB 3.46Å; L901-A905 PolarHBondContact O-N 2.87Å |
| 902 | R | 90.1 | Very high | 86.1 | Confident | 126 Ų | 126 | 105.2 Ų | 105.2 | 48% | 0.475 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -73.2 | -35.1 | 172.4 | -79.9 | -170.2 | -140.3 | 96.9 | -25.8 | 113.1 | K898 S899 K900 M906 | K898-R902 VanDerWaalsContact C-NH1 3.28Å; K898-R902 VanDerWaalsContact O-CG 3.26Å; K898-R902 WeakPolarHBondContact O-CG 3.27Å; K898-R902 PolarHBondContact O-N 2.91Å; K898-R902 PolarHBondContact O-NH1 2.98Å; S899-R902 PolarHBondContact O-N 3.04Å; S899-R902 PolarHBondContact OG-NH1 3.15Å; S899-R902 VanDerWaalsContact OG-NH1 3.09Å; K900-R902 PolarHBondContact O-N 3.28Å; R902-M906 WeakPolarHBondContact O-CB 3.45Å; R902-M906 VanDerWaalsContact O-CE 3.24Å; R902-M906 WeakPolarHBondContact O-CE 3.4Å; R902-M906 WeakPolarHBondContact O-CG 3.48Å; R902-M906 PolarHBondContact O-N 2.86Å; R902-M906 VanDerWaalsContact O-N 3.16Å |
| 903 | A | 89.1 | Confident | 86.9 | Confident | 51 Ų | 51 | 101.6 Ų | 101.6 | 42% | 0.421 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.5 | -44.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | S899 K900 M906 F907 | S899-A903 PolarHBondContact O-N 3.01Å; S899-A903 VanDerWaalsContact O-N 3.1Å; K900-A903 CarbonylContact O-C 3.54Å; K900-A903 VanDerWaalsContact O-CA 3.32Å; K900-A903 WeakPolarHBondContact O-CA 3.35Å; K900-A903 VanDerWaalsContact O-CB 3.29Å; K900-A903 WeakPolarHBondContact O-CB 3.35Å; K900-A903 PolarHBondContact O-N 2.98Å; A903-M906 CarbonylContact O-C 3.6Å; A903-M906 WeakPolarHBondContact O-CA 3.38Å; A903-M906 WeakPolarHBondContact O-CB 3.48Å; A903-M906 PolarHBondContact O-N 3.02Å; A903-M906 VanDerWaalsContact O-N 3.09Å; A903-F907 PolarHBondContact O-N 3Å |
| 904 | D | 89.7 | Confident | 87.8 | Confident | 74 Ų | 74 | 101.5 Ų | 101.5 | 40% | 0.396 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.9 | -45.4 | -179.4 | -47.6 | -34.2 | 0 | 0 | 0 | 110.7 | K900 L901 M906 F907 Y908 | K900-D904 PolarHBondContact O-N 3.18Å; L901-D904 PolarHBondContact N-OD2 3.46Å; D904-M906 PolarHBondContact O-N 3.41Å; D904-F907 WeakPolarHBondContact O-CA 3.3Å; D904-F907 WeakPolarHBondContact O-CB 3.31Å; D904-F907 PolarHBondContact O-N 3.35Å; D904-Y908 HydrophobicContact CB-CE2 4.41Å; D904-Y908 WeakPolarHBondContact O-CD2 3.47Å; D904-Y908 PolarHBondContact O-N 3.44Å |
| 905 | A | 89.1 | Confident | 88.5 | Confident | 60 Ų | 60 | 99.2 Ų | 99.2 | 50% | 0.496 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.6 | -29.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L901 K909 | L901-A905 WeakPolarHBondContact O-CB 3.46Å; L901-A905 PolarHBondContact O-N 2.87Å; A905-K909 VanDerWaalsContact O-CB 3.3Å; A905-K909 WeakPolarHBondContact O-CB 3.39Å; A905-K909 PolarHBondContact O-N 3.46Å; A905-K909 VanDerWaalsContact O-N 3.09Å |
| 906 | M | 89.4 | Confident | 89 | Confident | 105 Ų | 105 | 98.8 Ų | 98.8 | 52% | 0.517 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -80.5 | -17 | 171 | -77.9 | -170.8 | -72.8 | 0 | 0 | 113.6 | R902 A903 D904 R910 | R902-M906 WeakPolarHBondContact O-CB 3.45Å; R902-M906 VanDerWaalsContact O-CE 3.24Å; R902-M906 WeakPolarHBondContact O-CE 3.4Å; R902-M906 WeakPolarHBondContact O-CG 3.48Å; R902-M906 PolarHBondContact O-N 2.86Å; R902-M906 VanDerWaalsContact O-N 3.16Å; A903-M906 CarbonylContact O-C 3.6Å; A903-M906 WeakPolarHBondContact O-CA 3.38Å; A903-M906 WeakPolarHBondContact O-CB 3.48Å; A903-M906 PolarHBondContact O-N 3.02Å; A903-M906 VanDerWaalsContact O-N 3.09Å; D904-M906 PolarHBondContact O-N 3.41Å; M906-R910 WeakPolarHBondContact O-CG 3.34Å; M906-R910 PolarHBondContact O-NH1 2.8Å |
| 907 | F | 91.4 | Very high | 89.4 | Confident | 126 Ų | 126 | 102.7 Ų | 102.7 | 55% | 0.553 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -76.4 | -58.6 | 169.9 | 177.2 | -97 | 0 | 0 | 0 | 109.1 | A903 D904 K909 R910 S911 | A903-F907 PolarHBondContact O-N 3Å; D904-F907 WeakPolarHBondContact O-CA 3.3Å; D904-F907 WeakPolarHBondContact O-CB 3.31Å; D904-F907 PolarHBondContact O-N 3.35Å; F907-K909 VanDerWaalsContact C-N 3.26Å; F907-K909 PolarHBondContact O-N 3.05Å; F907-R910 WeakPolarHBondContact O-CA 3.23Å; F907-R910 WeakPolarHBondContact O-CB 3.39Å; F907-R910 PolarHBondContact O-N 3.27Å; F907-S911 PolarHBondContact O-N 3.28Å; F907-S911 PolarHBondContact O-OG 2.86Å |
| 908 | Y | 89.3 | Confident | 89.7 | Confident | 164 Ų | 164 | 104.9 Ų | 104.9 | 64% | 0.643 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -55.9 | -37.7 | 177.2 | -65.7 | -60.4 | 0 | 0 | 0 | 113 | D904 R910 S911 L912 | D904-Y908 HydrophobicContact CB-CE2 4.41Å; D904-Y908 WeakPolarHBondContact O-CD2 3.47Å; D904-Y908 PolarHBondContact O-N 3.44Å; Y908-R910 PolarHBondContact O-N 3.09Å; Y908-S911 PolarHBondContact O-N 2.81Å; Y908-L912 WeakPolarHBondContact O-CB 3.13Å; Y908-L912 PolarHBondContact O-N 2.88Å |
| 909 | K | 91.8 | Very high | 89.8 | Confident | 118 Ų | 118 | 107.2 Ų | 107.2 | 51% | 0.513 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.8 | -42.3 | 172.7 | -173.1 | 177.6 | -172.3 | -66.5 | 0 | 112.3 | A905 F907 L912 D913 | A905-K909 VanDerWaalsContact O-CB 3.3Å; A905-K909 WeakPolarHBondContact O-CB 3.39Å; A905-K909 PolarHBondContact O-N 3.46Å; A905-K909 VanDerWaalsContact O-N 3.09Å; F907-K909 VanDerWaalsContact C-N 3.26Å; F907-K909 PolarHBondContact O-N 3.05Å; K909-L912 PolarHBondContact O-N 3.2Å; K909-D913 IonicContact NZ-OD1 2.68Å; K909-D913 PolarHBondContact NZ-OD1 3.3Å; K909-D913 IonicContact NZ-OD2 2.78Å; K909-D913 PolarHBondContact NZ-OD2 2.91Å; K909-D913 WeakPolarHBondContact O-CB 3.41Å; K909-D913 PolarHBondContact O-N 2.93Å |
| 910 | R | 90.6 | Very high | 89.8 | Confident | 147 Ų | 147 | 106.7 Ų | 106.7 | 56% | 0.555 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.9 | -40.3 | 178 | -74.5 | -178.2 | -167.5 | 100.4 | -9.9 | 111.5 | M906 F907 Y908 L912 D913 Q914 | M906-R910 WeakPolarHBondContact O-CG 3.34Å; M906-R910 PolarHBondContact O-NH1 2.8Å; F907-R910 WeakPolarHBondContact O-CA 3.23Å; F907-R910 WeakPolarHBondContact O-CB 3.39Å; F907-R910 PolarHBondContact O-N 3.27Å; Y908-R910 PolarHBondContact O-N 3.09Å; R910-L912 VanDerWaalsContact C-N 3.3Å; R910-L912 PolarHBondContact O-N 2.96Å; R910-D913 PolarHBondContact O-N 3.08Å; R910-Q914 WeakPolarHBondContact O-CB 3.47Å; R910-Q914 VanDerWaalsContact O-CG 3.29Å; R910-Q914 WeakPolarHBondContact O-CG 3.47Å; R910-Q914 PolarHBondContact O-N 3.48Å |
| 911 | S | 90.1 | Very high | 89.7 | Confident | 39 Ų | 39 | 104.8 Ų | 104.8 | 27% | 0.273 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.2 | -39 | 174.7 | -53.8 | 0 | 0 | 0 | 0 | 112 | F907 Y908 Q914 L915 | F907-S911 PolarHBondContact O-N 3.28Å; F907-S911 PolarHBondContact O-OG 2.86Å; Y908-S911 PolarHBondContact O-N 2.81Å; S911-Q914 PolarHBondContact O-N 2.81Å; S911-L915 WeakPolarHBondContact O-CG 3.49Å; S911-L915 PolarHBondContact O-N 2.74Å |
| 912 | L | 89.9 | Confident | 89.4 | Confident | 108 Ų | 108 | 106.8 Ų | 106.8 | 57% | 0.565 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -71.4 | -42 | 174.9 | -169.5 | 151.9 | 0 | 0 | 0 | 112.3 | Y908 K909 R910 Q914 L915 Q916 | Y908-L912 WeakPolarHBondContact O-CB 3.13Å; Y908-L912 PolarHBondContact O-N 2.88Å; K909-L912 PolarHBondContact O-N 3.2Å; R910-L912 VanDerWaalsContact C-N 3.3Å; R910-L912 PolarHBondContact O-N 2.96Å; L912-Q914 PolarHBondContact O-N 3.44Å; L912-L915 PolarHBondContact O-N 3.19Å; L912-Q916 WeakPolarHBondContact O-CB 3.24Å; L912-Q916 PolarHBondContact O-N 3.47Å |
| 913 | D | 91.4 | Very high | 89 | Confident | 69 Ų | 69 | 108 Ų | 108 | 37% | 0.369 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.4 | -37.1 | 172.8 | -66.3 | -30.1 | 0 | 0 | 0 | 110.5 | K909 R910 E917 | K909-D913 IonicContact NZ-OD1 2.68Å; K909-D913 PolarHBondContact NZ-OD1 3.3Å; K909-D913 IonicContact NZ-OD2 2.78Å; K909-D913 PolarHBondContact NZ-OD2 2.91Å; K909-D913 WeakPolarHBondContact O-CB 3.41Å; K909-D913 PolarHBondContact O-N 2.93Å; R910-D913 PolarHBondContact O-N 3.08Å; D913-E917 PolarHBondContact O-N 2.78Å; D913-E917 VanDerWaalsContact O-N 3.17Å |
| 914 | Q | 91.4 | Very high | 88.6 | Confident | 111 Ų | 111 | 110.7 Ų | 110.7 | 52% | 0.519 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -71.9 | -47.3 | 175.8 | -74.3 | 178.9 | -77.4 | 0 | 0 | 113.1 | R910 S911 L912 Q916 E917 E918 | R910-Q914 WeakPolarHBondContact O-CB 3.47Å; R910-Q914 VanDerWaalsContact O-CG 3.29Å; R910-Q914 WeakPolarHBondContact O-CG 3.47Å; R910-Q914 PolarHBondContact O-N 3.48Å; S911-Q914 PolarHBondContact O-N 2.81Å; L912-Q914 PolarHBondContact O-N 3.44Å; Q914-Q916 PolarHBondContact O-N 2.92Å; Q914-E917 WeakPolarHBondContact O-CB 3.31Å; Q914-E917 PolarHBondContact O-N 3.46Å; Q914-E918 PolarHBondContact O-N 2.87Å |
| 915 | L | 90.9 | Very high | 88.1 | Confident | 112 Ų | 112 | 112.2 Ų | 112.2 | 59% | 0.586 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.3 | -32.9 | 174.9 | -77.6 | 166.3 | 0 | 0 | 0 | 111.8 | S911 L912 Y919 | S911-L915 WeakPolarHBondContact O-CG 3.49Å; S911-L915 PolarHBondContact O-N 2.74Å; L912-L915 PolarHBondContact O-N 3.19Å; L915-Y919 WeakPolarHBondContact O-CB 3.45Å; L915-Y919 PolarHBondContact O-N 3.41Å |
| 916 | Q | 90.2 | Very high | 87.5 | Confident | 110 Ų | 110 | 112.5 Ų | 112.5 | 51% | 0.514 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -69.5 | -39.1 | 173.1 | -172.2 | 175.9 | -13.8 | 0 | 0 | 112.3 | L912 Q914 Y919 D920 | L912-Q916 WeakPolarHBondContact O-CB 3.24Å; L912-Q916 PolarHBondContact O-N 3.47Å; Q914-Q916 PolarHBondContact O-N 2.92Å; Q916-Y919 PolarHBondContact O-N 2.84Å; Q916-D920 WeakPolarHBondContact O-CB 3.2Å; Q916-D920 PolarHBondContact O-N 3.04Å |
| 917 | E | 89.8 | Confident | 87.2 | Confident | 147 Ų | 147 | 109.9 Ų | 109.9 | 69% | 0.687 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.2 | -39.6 | 173.9 | -171.7 | 168.3 | -155.7 | 0 | 0 | 111.6 | D913 Q914 D920 Q921 | D913-E917 PolarHBondContact O-N 2.78Å; D913-E917 VanDerWaalsContact O-N 3.17Å; Q914-E917 WeakPolarHBondContact O-CB 3.31Å; Q914-E917 PolarHBondContact O-N 3.46Å; E917-D920 PolarHBondContact O-N 3.35Å; E917-Q921 WeakPolarHBondContact O-CB 3.24Å; E917-Q921 PolarHBondContact O-N 3.2Å |
| 918 | E | 89.1 | Confident | 86.5 | Confident | 126 Ų | 126 | 108.2 Ų | 108.2 | 59% | 0.589 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.9 | -42.2 | 173.3 | -70.6 | 177.2 | -177.6 | 0 | 0 | 112.3 | Q914 Q921 Y922 | Q914-E918 PolarHBondContact O-N 2.87Å; E918-Q921 PolarHBondContact O-N 2.88Å; E918-Y922 WeakPolarHBondContact O-CB 3.37Å; E918-Y922 PolarHBondContact O-N 3.4Å |
| 919 | Y | 87.4 | Confident | 86 | Confident | 151 Ų | 151 | 105.2 Ų | 105.2 | 59% | 0.592 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.3 | -41.4 | 175.4 | -179.2 | -101.6 | 0 | 0 | 0 | 112.6 | L915 Q916 Q921 Y922 R923 | L915-Y919 WeakPolarHBondContact O-CB 3.45Å; L915-Y919 PolarHBondContact O-N 3.41Å; Q916-Y919 PolarHBondContact O-N 2.84Å; Y919-Q921 VanDerWaalsContact C-N 3.35Å; Y919-Y922 PolarHBondContact O-N 3.29Å; Y919-R923 VanDerWaalsContact O-CB 3.3Å; Y919-R923 WeakPolarHBondContact O-CB 3.43Å; Y919-R923 PolarHBondContact O-N 2.78Å |
| 920 | D | 86.4 | Confident | 85.4 | Confident | 50 Ų | 50 | 101.8 Ų | 101.8 | 27% | 0.267 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.8 | -36 | 175.5 | -94.4 | -30.3 | 0 | 0 | 0 | 112 | Q916 E917 R923 I924 | Q916-D920 WeakPolarHBondContact O-CB 3.2Å; Q916-D920 PolarHBondContact O-N 3.04Å; E917-D920 PolarHBondContact O-N 3.35Å; D920-R923 PolarHBondContact O-N 3.03Å; D920-R923 IonicContact OD1-CZ 2.77Å; D920-R923 IonicContact OD1-NE 2.68Å; D920-R923 PolarHBondContact OD1-NE 2.87Å; D920-R923 IonicContact OD1-NH2 3.02Å; D920-R923 PolarHBondContact OD1-NH2 2.9Å; D920-I924 WeakPolarHBondContact O-CD1 3.18Å; D920-I924 VanDerWaalsContact O-CG1 3.27Å; D920-I924 WeakPolarHBondContact O-CG1 3.3Å; D920-I924 PolarHBondContact O-N 3.22Å |
| 921 | Q | 86.9 | Confident | 84.8 | Confident | 97 Ų | 97 | 99.4 Ų | 99.4 | 45% | 0.453 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.2 | -46.2 | 171.8 | -176.5 | 57.1 | 50.8 | 0 | 0 | 111.5 | E917 E918 Y919 R923 I924 D925 | E917-Q921 WeakPolarHBondContact O-CB 3.24Å; E917-Q921 PolarHBondContact O-N 3.2Å; E918-Q921 PolarHBondContact O-N 2.88Å; Y919-Q921 VanDerWaalsContact C-N 3.35Å; Q921-R923 VanDerWaalsContact C-N 3.26Å; Q921-R923 PolarHBondContact O-N 3.03Å; Q921-I924 PolarHBondContact O-N 3.06Å; Q921-I924 VanDerWaalsContact O-N 3.1Å; Q921-D925 PolarHBondContact NE2-OD1 3.27Å; Q921-D925 PolarHBondContact NE2-OD2 2.9Å; Q921-D925 PolarHBondContact O-N 3.43Å |
| 922 | Y | 83.1 | Confident | 84.4 | Confident | 151 Ų | 151 | 103.2 Ų | 103.2 | 59% | 0.592 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -57.9 | -39.2 | 174.2 | -179.6 | -92.9 | 0 | 0 | 0 | 112.1 | E918 Y919 D925 N926 | E918-Y922 WeakPolarHBondContact O-CB 3.37Å; E918-Y922 PolarHBondContact O-N 3.4Å; Y919-Y922 PolarHBondContact O-N 3.29Å; Y922-D925 PolarHBondContact O-N 3.35Å; Y922-N926 WeakPolarHBondContact CD2-ND2 3.26Å; Y922-N926 VanDerWaalsContact CE2-ND2 3.33Å; Y922-N926 WeakPolarHBondContact CE2-ND2 3.12Å; Y922-N926 WeakPolarHBondContact O-CB 3.47Å; Y922-N926 PolarHBondContact O-N 2.97Å; Y922-N926 PolarHBondContact O-ND2 3.35Å |
| 923 | R | 82.9 | Confident | 84.1 | Confident | 152 Ų | 152 | 106.4 Ų | 106.4 | 57% | 0.574 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.7 | -32.1 | 176.3 | -174.1 | 171.1 | 70.9 | 109.9 | -4.9 | 113.2 | Y919 D920 Q921 D927 | Y919-R923 VanDerWaalsContact O-CB 3.3Å; Y919-R923 WeakPolarHBondContact O-CB 3.43Å; Y919-R923 PolarHBondContact O-N 2.78Å; D920-R923 PolarHBondContact O-N 3.03Å; D920-R923 IonicContact OD1-CZ 2.77Å; D920-R923 IonicContact OD1-NE 2.68Å; D920-R923 PolarHBondContact OD1-NE 2.87Å; D920-R923 IonicContact OD1-NH2 3.02Å; D920-R923 PolarHBondContact OD1-NH2 2.9Å; Q921-R923 VanDerWaalsContact C-N 3.26Å; Q921-R923 PolarHBondContact O-N 3.03Å; R923-D927 PolarHBondContact O-N 3.44Å |
| 924 | I | 79.2 | Confident | 83.7 | Confident | 107 Ų | 107 | 107.9 Ų | 107.9 | 55% | 0.549 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -72.6 | -46.4 | 173.6 | -72.1 | 163.1 | 0 | 0 | 0 | 110.7 | D920 Q921 N926 D927 | D920-I924 WeakPolarHBondContact O-CD1 3.18Å; D920-I924 VanDerWaalsContact O-CG1 3.27Å; D920-I924 WeakPolarHBondContact O-CG1 3.3Å; D920-I924 PolarHBondContact O-N 3.22Å; Q921-I924 PolarHBondContact O-N 3.06Å; Q921-I924 VanDerWaalsContact O-N 3.1Å; I924-N926 VanDerWaalsContact C-N 3.28Å; I924-N926 PolarHBondContact O-N 2.86Å; I924-D927 WeakPolarHBondContact O-CB 3.48Å; I924-D927 PolarHBondContact O-N 3.44Å |
| 925 | D | 79 | Confident | 83.3 | Confident | 106 Ų | 106 | 107.4 Ų | 107.4 | 57% | 0.567 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -68.4 | -28.1 | -177.9 | -69.4 | -32.5 | 0 | 0 | 0 | 112.6 | Q921 Y922 | Q921-D925 PolarHBondContact NE2-OD1 3.27Å; Q921-D925 PolarHBondContact NE2-OD2 2.9Å; Q921-D925 PolarHBondContact O-N 3.43Å; Y922-D925 PolarHBondContact O-N 3.35Å |
| 926 | N | 78.5 | Confident | 83.1 | Confident | 66 Ų | 66 | 105 Ų | 105 | 35% | 0.353 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 18.4 | 175.1 | -66.2 | -85.1 | 0 | 0 | 0 | 114.1 | Y922 I924 P928 | Y922-N926 WeakPolarHBondContact CD2-ND2 3.26Å; Y922-N926 VanDerWaalsContact CE2-ND2 3.33Å; Y922-N926 WeakPolarHBondContact CE2-ND2 3.12Å; Y922-N926 WeakPolarHBondContact O-CB 3.47Å; Y922-N926 PolarHBondContact O-N 2.97Å; Y922-N926 PolarHBondContact O-ND2 3.35Å; I924-N926 VanDerWaalsContact C-N 3.28Å; I924-N926 PolarHBondContact O-N 2.86Å; N926-P928 WeakPolarHBondContact O-CD 3.23Å; N926-P928 VanDerWaalsContact O-N 3.13Å |
| 927 | D | 81.6 | Confident | 83 | Confident | 50 Ų | 50 | 106.2 Ų | 106.2 | 27% | 0.267 | 51% | 0.506 | S | S | . | . | trans | -51.9 | 119.1 | 179.5 | 165.2 | 33.5 | 0 | 0 | 0 | 111.4 | R923 I924 L929 S930 M931 | R923-D927 PolarHBondContact O-N 3.44Å; I924-D927 WeakPolarHBondContact O-CB 3.48Å; I924-D927 PolarHBondContact O-N 3.44Å; D927-L929 PolarHBondContact O-N 3.32Å; D927-L929 WeakPolarHBondContact OD1-CB 3.24Å; D927-L929 PolarHBondContact OD1-N 2.72Å; D927-S930 WeakPolarHBondContact O-CB 3.15Å; D927-S930 PolarHBondContact O-N 2.7Å; D927-S930 VanDerWaalsContact O-N 3.1Å; D927-S930 WeakPolarHBondContact OD2-CB 3.35Å; D927-S930 PolarHBondContact OD2-N 2.81Å; D927-M931 PolarHBondContact O-N 2.95Å | ||
| 928 | P | 76.5 | Confident | 83.1 | Confident | 92 Ų | 92 | 105.1 Ų | 105.1 | 60% | 0.597 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.2 | -27 | -179.2 | 25 | -34.4 | 0 | 0 | 0 | 112.5 | N926 Q932 | N926-P928 WeakPolarHBondContact O-CD 3.23Å; N926-P928 VanDerWaalsContact O-N 3.13Å; P928-Q932 WeakPolarHBondContact O-CB 3.23Å; P928-Q932 PolarHBondContact O-N 3.43Å |
| 929 | L | 79.9 | Confident | 83.1 | Confident | 101 Ų | 101 | 104.5 Ų | 104.5 | 53% | 0.529 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -74.1 | -37.2 | 175.7 | -63 | 174.4 | 0 | 0 | 0 | 111.9 | D927 R933 | D927-L929 PolarHBondContact O-N 3.32Å; D927-L929 WeakPolarHBondContact OD1-CB 3.24Å; D927-L929 PolarHBondContact OD1-N 2.72Å; L929-R933 WeakPolarHBondContact O-CG 3.44Å; L929-R933 PolarHBondContact O-N 2.83Å |
| 930 | S | 79.3 | Confident | 83.3 | Confident | 46 Ų | 46 | 104 Ų | 104 | 32% | 0.322 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.6 | -49.3 | 171.1 | -174.6 | 0 | 0 | 0 | 0 | 111.2 | D927 Q932 R933 Q934 | D927-S930 WeakPolarHBondContact O-CB 3.15Å; D927-S930 PolarHBondContact O-N 2.7Å; D927-S930 VanDerWaalsContact O-N 3.1Å; D927-S930 WeakPolarHBondContact OD2-CB 3.35Å; D927-S930 PolarHBondContact OD2-N 2.81Å; S930-Q932 PolarHBondContact O-N 3.31Å; S930-R933 PolarHBondContact O-N 3.38Å; S930-Q934 PolarHBondContact O-N 2.93Å; S930-Q934 VanDerWaalsContact O-N 3.12Å |
| 931 | M | 77.6 | Confident | 83.5 | Confident | 96 Ų | 96 | 108.4 Ų | 108.4 | 47% | 0.473 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.1 | -42.7 | 174.6 | -74.7 | -148 | -73.2 | 0 | 0 | 112.3 | D927 R933 Q934 L935 | D927-M931 PolarHBondContact O-N 2.95Å; M931-R933 VanDerWaalsContact C-N 3.34Å; M931-R933 PolarHBondContact O-N 2.89Å; M931-Q934 PolarHBondContact O-N 3.09Å; M931-L935 WeakPolarHBondContact O-CG 3.18Å; M931-L935 PolarHBondContact O-N 3.31Å |
| 932 | Q | 81.4 | Confident | 83.6 | Confident | 119 Ų | 119 | 107.9 Ų | 107.9 | 56% | 0.556 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.8 | -38.2 | 178.2 | -171 | 172.9 | 26.2 | 0 | 0 | 111.8 | P928 S930 L935 T936 | P928-Q932 WeakPolarHBondContact O-CB 3.23Å; P928-Q932 PolarHBondContact O-N 3.43Å; S930-Q932 PolarHBondContact O-N 3.31Å; Q932-L935 PolarHBondContact O-N 3.24Å; Q932-T936 WeakPolarHBondContact O-CG2 3.35Å; Q932-T936 PolarHBondContact O-N 3.1Å; Q932-T936 PolarHBondContact O-OG1 2.83Å |
| 933 | R | 83.8 | Confident | 83.9 | Confident | 176 Ų | 176 | 105 Ų | 105 | 66% | 0.664 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.6 | -47.9 | 172 | -74.8 | -179.7 | -148.5 | 171.7 | 11.6 | 111.8 | L929 S930 M931 L935 T936 E937 | L929-R933 WeakPolarHBondContact O-CG 3.44Å; L929-R933 PolarHBondContact O-N 2.83Å; S930-R933 PolarHBondContact O-N 3.38Å; M931-R933 VanDerWaalsContact C-N 3.34Å; M931-R933 PolarHBondContact O-N 2.89Å; R933-L935 VanDerWaalsContact C-N 3.27Å; R933-L935 PolarHBondContact O-N 3.14Å; R933-T936 WeakPolarHBondContact CA-OG1 3.39Å; R933-T936 PolarHBondContact O-N 3.31Å; R933-T936 PolarHBondContact O-OG1 2.99Å; R933-E937 PolarHBondContact O-N 3.31Å |
| 934 | Q | 82.6 | Confident | 84.2 | Confident | 100 Ų | 100 | 103 Ų | 103 | 47% | 0.467 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.2 | -34.3 | 177.3 | -68.3 | -175.5 | 45.3 | 0 | 0 | 112.7 | S930 M931 K938 | S930-Q934 PolarHBondContact O-N 2.93Å; S930-Q934 VanDerWaalsContact O-N 3.12Å; M931-Q934 PolarHBondContact O-N 3.09Å; Q934-K938 WeakPolarHBondContact O-CB 3.33Å; Q934-K938 WeakPolarHBondContact O-CD 3.48Å; Q934-K938 VanDerWaalsContact O-CG 3.23Å; Q934-K938 WeakPolarHBondContact O-CG 3.26Å; Q934-K938 PolarHBondContact O-N 3.13Å; Q934-K938 VanDerWaalsContact O-N 3.11Å |
| 935 | L | 83.7 | Confident | 84.7 | Confident | 101 Ų | 101 | 102.6 Ų | 102.6 | 53% | 0.529 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67 | -48.4 | 171.9 | -72.6 | 170.9 | 0 | 0 | 0 | 110.9 | M931 Q932 R933 E937 K938 E939 | M931-L935 WeakPolarHBondContact O-CG 3.18Å; M931-L935 PolarHBondContact O-N 3.31Å; Q932-L935 PolarHBondContact O-N 3.24Å; R933-L935 VanDerWaalsContact C-N 3.27Å; R933-L935 PolarHBondContact O-N 3.14Å; L935-E937 VanDerWaalsContact C-N 3.34Å; L935-E937 PolarHBondContact O-N 3.12Å; L935-K938 CarbonylContact O-C 3.58Å; L935-K938 WeakPolarHBondContact O-CB 3.44Å; L935-K938 PolarHBondContact O-N 2.92Å; L935-K938 VanDerWaalsContact O-N 3.12Å; L935-E939 WeakPolarHBondContact O-CG 3.47Å; L935-E939 PolarHBondContact O-N 3.23Å |
| 936 | T | 85.7 | Confident | 85.2 | Confident | 62 Ų | 62 | 100.7 Ų | 100.7 | 38% | 0.38 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.5 | -36.5 | 177.6 | 54.1 | 0 | 0 | 0 | 0 | 113 | Q932 R933 E939 E940 | Q932-T936 WeakPolarHBondContact O-CG2 3.35Å; Q932-T936 PolarHBondContact O-N 3.1Å; Q932-T936 PolarHBondContact O-OG1 2.83Å; R933-T936 WeakPolarHBondContact CA-OG1 3.39Å; R933-T936 PolarHBondContact O-N 3.31Å; R933-T936 PolarHBondContact O-OG1 2.99Å; T936-E939 PolarHBondContact O-N 3.01Å; T936-E940 WeakPolarHBondContact O-CB 3.4Å; T936-E940 WeakPolarHBondContact O-CG 3.24Å; T936-E940 PolarHBondContact O-N 2.83Å |
| 937 | E | 89.5 | Confident | 85.8 | Confident | 134 Ų | 134 | 104.2 Ų | 104.2 | 63% | 0.626 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.7 | -39.3 | 174.2 | -170.7 | -174.8 | 169.9 | 0 | 0 | 111.4 | R933 L935 K941 | R933-E937 PolarHBondContact O-N 3.31Å; L935-E937 VanDerWaalsContact C-N 3.34Å; L935-E937 PolarHBondContact O-N 3.12Å; E937-K941 VanDerWaalsContact O-CB 3.28Å; E937-K941 WeakPolarHBondContact O-CB 3.44Å; E937-K941 PolarHBondContact O-N 3.05Å |
| 938 | K | 90.5 | Very high | 86.2 | Confident | 124 Ų | 124 | 106.6 Ų | 106.6 | 54% | 0.539 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.9 | -39.9 | 172.5 | -74.1 | 167.5 | -174.9 | 167.1 | 0 | 111.5 | Q934 L935 K941 V942 | Q934-K938 WeakPolarHBondContact O-CB 3.33Å; Q934-K938 WeakPolarHBondContact O-CD 3.48Å; Q934-K938 VanDerWaalsContact O-CG 3.23Å; Q934-K938 WeakPolarHBondContact O-CG 3.26Å; Q934-K938 PolarHBondContact O-N 3.13Å; Q934-K938 VanDerWaalsContact O-N 3.11Å; L935-K938 CarbonylContact O-C 3.58Å; L935-K938 WeakPolarHBondContact O-CB 3.44Å; L935-K938 PolarHBondContact O-N 2.92Å; L935-K938 VanDerWaalsContact O-N 3.12Å; K938-K941 PolarHBondContact O-N 3.49Å; K938-V942 WeakPolarHBondContact O-CB 3.26Å; K938-V942 VanDerWaalsContact O-CG2 3.27Å; K938-V942 WeakPolarHBondContact O-CG2 3.49Å; K938-V942 PolarHBondContact O-N 3.33Å |
| 939 | E | 90.4 | Very high | 86.8 | Confident | 113 Ų | 113 | 106.6 Ų | 106.6 | 53% | 0.528 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.9 | -43.4 | 175.2 | -73.7 | 177 | 164.3 | 0 | 0 | 111.8 | L935 T936 K941 V942 N943 | L935-E939 WeakPolarHBondContact O-CG 3.47Å; L935-E939 PolarHBondContact O-N 3.23Å; T936-E939 PolarHBondContact O-N 3.01Å; E939-K941 VanDerWaalsContact C-N 3.31Å; E939-K941 PolarHBondContact O-N 3.43Å; E939-V942 PolarHBondContact O-N 2.96Å; E939-N943 VanDerWaalsContact O-CB 3.29Å; E939-N943 WeakPolarHBondContact O-CB 3.24Å; E939-N943 PolarHBondContact O-N 3.44Å; E939-N943 PolarHBondContact O-ND2 3.09Å |
| 940 | E | 90 | Very high | 87.3 | Confident | 140 Ų | 140 | 107.1 Ų | 107.1 | 65% | 0.654 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.6 | -41.9 | 173.6 | -77.3 | -170.7 | 169 | 0 | 0 | 111.3 | T936 N943 L944 | T936-E940 WeakPolarHBondContact O-CB 3.4Å; T936-E940 WeakPolarHBondContact O-CG 3.24Å; T936-E940 PolarHBondContact O-N 2.83Å; E940-N943 PolarHBondContact O-N 2.99Å; E940-L944 PolarHBondContact O-N 2.73Å |
| 941 | K | 91.6 | Very high | 87.8 | Confident | 144 Ų | 144 | 111.1 Ų | 111.1 | 63% | 0.626 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.3 | -40.7 | 176.9 | -165.7 | 169.9 | -172 | 170.2 | 0 | 112.5 | E937 K938 E939 L944 L945 | E937-K941 VanDerWaalsContact O-CB 3.28Å; E937-K941 WeakPolarHBondContact O-CB 3.44Å; E937-K941 PolarHBondContact O-N 3.05Å; K938-K941 PolarHBondContact O-N 3.49Å; E939-K941 VanDerWaalsContact C-N 3.31Å; E939-K941 PolarHBondContact O-N 3.43Å; K941-L944 WeakPolarHBondContact O-CB 3.46Å; K941-L944 PolarHBondContact O-N 2.88Å; K941-L945 WeakPolarHBondContact O-CG 3.4Å; K941-L945 PolarHBondContact O-N 3.47Å |
| 942 | V | 89.5 | Confident | 88.3 | Confident | 86 Ų | 86 | 115.3 Ų | 115.3 | 52% | 0.521 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.1 | -43.3 | 171 | 166.3 | 0 | 0 | 0 | 0 | 110.6 | K938 E939 L944 L945 E946 | K938-V942 WeakPolarHBondContact O-CB 3.26Å; K938-V942 VanDerWaalsContact O-CG2 3.27Å; K938-V942 WeakPolarHBondContact O-CG2 3.49Å; K938-V942 PolarHBondContact O-N 3.33Å; E939-V942 PolarHBondContact O-N 2.96Å; V942-L944 VanDerWaalsContact C-N 3.28Å; V942-L944 PolarHBondContact O-N 2.91Å; V942-L945 PolarHBondContact O-N 3.41Å; V942-E946 VanDerWaalsContact O-CB 3.31Å; V942-E946 WeakPolarHBondContact O-CB 3.29Å; V942-E946 PolarHBondContact O-N 2.95Å |
| 943 | N | 88.8 | Confident | 88.8 | Confident | 89 Ų | 89 | 116.9 Ų | 116.9 | 48% | 0.476 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64 | -29.3 | 175.6 | -81.8 | -63.9 | 0 | 0 | 0 | 113 | E939 E940 K947 | E939-N943 VanDerWaalsContact O-CB 3.29Å; E939-N943 WeakPolarHBondContact O-CB 3.24Å; E939-N943 PolarHBondContact O-N 3.44Å; E939-N943 PolarHBondContact O-ND2 3.09Å; E940-N943 PolarHBondContact O-N 2.99Å; N943-K947 WeakPolarHBondContact O-CD 3.43Å; N943-K947 VanDerWaalsContact O-CG 3.25Å; N943-K947 WeakPolarHBondContact O-CG 3.47Å; N943-K947 PolarHBondContact O-N 3.45Å |
| 944 | L | 89.9 | Confident | 88.9 | Confident | 111 Ų | 111 | 114.2 Ų | 114.2 | 58% | 0.581 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68.7 | -50.1 | 170.5 | -124.4 | 85.5 | 0 | 0 | 0 | 111.1 | E940 K941 V942 E946 K947 E948 | E940-L944 PolarHBondContact O-N 2.73Å; K941-L944 WeakPolarHBondContact O-CB 3.46Å; K941-L944 PolarHBondContact O-N 2.88Å; V942-L944 VanDerWaalsContact C-N 3.28Å; V942-L944 PolarHBondContact O-N 2.91Å; L944-E946 VanDerWaalsContact C-N 3.29Å; L944-E946 PolarHBondContact O-N 3.14Å; L944-K947 WeakPolarHBondContact O-CB 3.42Å; L944-K947 PolarHBondContact O-N 2.81Å; L944-K947 VanDerWaalsContact O-N 3.13Å; L944-E948 PolarHBondContact O-N 2.83Å |
| 945 | L | 89.8 | Confident | 89.3 | Confident | 99 Ų | 99 | 113.5 Ų | 113.5 | 52% | 0.518 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.8 | -33.8 | 178.6 | -68.1 | 168.5 | 0 | 0 | 0 | 112.1 | K941 V942 E948 K949 | K941-L945 WeakPolarHBondContact O-CG 3.4Å; K941-L945 PolarHBondContact O-N 3.47Å; V942-L945 PolarHBondContact O-N 3.41Å; L945-E948 PolarHBondContact O-N 3.3Å; L945-K949 WeakPolarHBondContact O-CB 3.39Å; L945-K949 PolarHBondContact O-N 3.22Å |
| 946 | E | 89.1 | Confident | 89.5 | Confident | 66 Ų | 66 | 113.7 Ų | 113.7 | 31% | 0.308 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.9 | -35.6 | 174.6 | -163.7 | 64.5 | -133 | 0 | 0 | 111.4 | V942 L944 K949 Q950 | V942-E946 VanDerWaalsContact O-CB 3.31Å; V942-E946 WeakPolarHBondContact O-CB 3.29Å; V942-E946 PolarHBondContact O-N 2.95Å; L944-E946 VanDerWaalsContact C-N 3.29Å; L944-E946 PolarHBondContact O-N 3.14Å; E946-K949 WeakPolarHBondContact OE1-CD 3.36Å; E946-K949 WeakPolarHBondContact OE1-CE 3.49Å; E946-K949 IonicContact OE1-NZ 3.84Å; E946-K949 PolarHBondContact OE1-NZ 3.49Å; E946-K949 IonicContact OE2-NZ 3.5Å; E946-K949 PolarHBondContact OE2-NZ 3.17Å; E946-Q950 WeakPolarHBondContact O-CG 3.42Å; E946-Q950 PolarHBondContact O-N 2.93Å |
| 947 | K | 90.4 | Very high | 89.4 | Confident | 139 Ų | 139 | 115.1 Ų | 115.1 | 60% | 0.604 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -68.3 | -45.1 | 172.2 | -73.1 | 164.1 | -173.4 | 168.1 | 0 | 111.9 | N943 L944 Q950 Q951 | N943-K947 WeakPolarHBondContact O-CD 3.43Å; N943-K947 VanDerWaalsContact O-CG 3.25Å; N943-K947 WeakPolarHBondContact O-CG 3.47Å; N943-K947 PolarHBondContact O-N 3.45Å; L944-K947 WeakPolarHBondContact O-CB 3.42Å; L944-K947 PolarHBondContact O-N 2.81Å; L944-K947 VanDerWaalsContact O-N 3.13Å; K947-Q950 PolarHBondContact O-N 3.42Å; K947-Q951 PolarHBondContact O-N 2.88Å |
| 948 | E | 89.4 | Confident | 89.1 | Confident | 101 Ų | 101 | 112.6 Ų | 112.6 | 47% | 0.472 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.5 | -45.6 | 173.7 | -70.2 | -170.1 | 146.9 | 0 | 0 | 111 | L944 L945 Q950 Q951 W952 | L944-E948 PolarHBondContact O-N 2.83Å; L945-E948 PolarHBondContact O-N 3.3Å; E948-Q950 VanDerWaalsContact C-N 3.29Å; E948-Q950 PolarHBondContact O-N 3.41Å; E948-Q951 WeakPolarHBondContact O-CB 3.26Å; E948-Q951 PolarHBondContact O-N 2.95Å; E948-Q951 VanDerWaalsContact O-N 3.1Å; E948-W952 PolarHBondContact O-N 2.9Å |
| 949 | K | 90.9 | Very high | 88.8 | Confident | 92 Ų | 92 | 110.9 Ų | 110.9 | 40% | 0.4 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -57.2 | -37.4 | 173.9 | 171.1 | -177.7 | 165 | -159.1 | 0 | 112.7 | L945 E946 R953 | L945-K949 WeakPolarHBondContact O-CB 3.39Å; L945-K949 PolarHBondContact O-N 3.22Å; E946-K949 WeakPolarHBondContact OE1-CD 3.36Å; E946-K949 WeakPolarHBondContact OE1-CE 3.49Å; E946-K949 IonicContact OE1-NZ 3.84Å; E946-K949 PolarHBondContact OE1-NZ 3.49Å; E946-K949 IonicContact OE2-NZ 3.5Å; E946-K949 PolarHBondContact OE2-NZ 3.17Å; K949-R953 WeakPolarHBondContact O-CD 3.38Å; K949-R953 VanDerWaalsContact O-CG 3.25Å; K949-R953 WeakPolarHBondContact O-CG 3.4Å; K949-R953 PolarHBondContact O-N 2.9Å; K949-R953 VanDerWaalsContact O-N 3.11Å |
| 950 | Q | 89.3 | Confident | 88.3 | Confident | 112 Ų | 112 | 108.9 Ų | 108.9 | 52% | 0.523 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -72.8 | -38.5 | 172.5 | -75 | -174.6 | 23.5 | 0 | 0 | 112.7 | E946 K947 E948 R953 M954 | E946-Q950 WeakPolarHBondContact O-CG 3.42Å; E946-Q950 PolarHBondContact O-N 2.93Å; K947-Q950 PolarHBondContact O-N 3.42Å; E948-Q950 VanDerWaalsContact C-N 3.29Å; E948-Q950 PolarHBondContact O-N 3.41Å; Q950-R953 WeakPolarHBondContact O-CB 3.47Å; Q950-R953 PolarHBondContact O-N 3.11Å; Q950-M954 WeakPolarHBondContact O-CG 3.37Å; Q950-M954 PolarHBondContact O-N 2.95Å |
| 951 | Q | 89.4 | Confident | 87.9 | Confident | 130 Ų | 130 | 105.7 Ų | 105.7 | 61% | 0.607 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.7 | -43.9 | 173.2 | -179 | 179.7 | -16.7 | 0 | 0 | 111.8 | K947 E948 R953 M954 E955 | K947-Q951 PolarHBondContact O-N 2.88Å; E948-Q951 WeakPolarHBondContact O-CB 3.26Å; E948-Q951 PolarHBondContact O-N 2.95Å; E948-Q951 VanDerWaalsContact O-N 3.1Å; Q951-R953 VanDerWaalsContact C-N 3.32Å; Q951-R953 PolarHBondContact O-N 3.42Å; Q951-M954 PolarHBondContact O-N 2.89Å; Q951-E955 PolarHBondContact O-N 3.47Å |
| 952 | W | 89.7 | Confident | 87.2 | Confident | 183 Ų | 183 | 104.1 Ų | 104.1 | 69% | 0.693 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.8 | -33.7 | 174.8 | -72.1 | 118.3 | 0 | 0 | 0 | 112.7 | E948 L956 | E948-W952 PolarHBondContact O-N 2.9Å; W952-L956 WeakPolarHBondContact O-CB 3.19Å; W952-L956 PolarHBondContact O-N 2.9Å |
| 953 | R | 90.7 | Very high | 86.4 | Confident | 153 Ų | 153 | 105.2 Ų | 105.2 | 58% | 0.577 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.2 | -45.4 | 171.1 | -76.6 | 166 | 175.2 | -96.9 | -1 | 112 | K949 Q950 Q951 E955 L956 D957 | K949-R953 WeakPolarHBondContact O-CD 3.38Å; K949-R953 VanDerWaalsContact O-CG 3.25Å; K949-R953 WeakPolarHBondContact O-CG 3.4Å; K949-R953 PolarHBondContact O-N 2.9Å; K949-R953 VanDerWaalsContact O-N 3.11Å; Q950-R953 WeakPolarHBondContact O-CB 3.47Å; Q950-R953 PolarHBondContact O-N 3.11Å; Q951-R953 VanDerWaalsContact C-N 3.32Å; Q951-R953 PolarHBondContact O-N 3.42Å; R953-E955 VanDerWaalsContact C-N 3.34Å; R953-E955 PolarHBondContact O-N 2.82Å; R953-L956 PolarHBondContact O-N 3.3Å; R953-D957 WeakPolarHBondContact O-CB 3.13Å; R953-D957 PolarHBondContact O-N 3.46Å |
| 954 | M | 87 | Confident | 85.3 | Confident | 120 Ų | 120 | 106.6 Ų | 106.6 | 59% | 0.591 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.2 | -43.1 | 175 | -75.8 | 167.3 | 42.6 | 0 | 0 | 112.3 | Q950 Q951 D957 I958 | Q950-M954 WeakPolarHBondContact O-CG 3.37Å; Q950-M954 PolarHBondContact O-N 2.95Å; Q951-M954 PolarHBondContact O-N 2.89Å; M954-D957 PolarHBondContact O-N 2.86Å; M954-I958 WeakPolarHBondContact O-CB 3.37Å; M954-I958 VanDerWaalsContact O-CG1 3.26Å; M954-I958 WeakPolarHBondContact O-CG1 3.4Å; M954-I958 PolarHBondContact O-N 3.02Å |
| 955 | E | 89.2 | Confident | 84.2 | Confident | 84 Ų | 84 | 107.3 Ų | 107.3 | 39% | 0.393 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.9 | -43.9 | 175.8 | -174.9 | 57.7 | -138.7 | 0 | 0 | 110.9 | Q951 R953 D957 I958 Q959 | Q951-E955 PolarHBondContact O-N 3.47Å; R953-E955 VanDerWaalsContact C-N 3.34Å; R953-E955 PolarHBondContact O-N 2.82Å; E955-D957 VanDerWaalsContact C-N 3.33Å; E955-D957 PolarHBondContact O-N 2.75Å; E955-I958 WeakPolarHBondContact O-CB 3.42Å; E955-I958 PolarHBondContact O-N 2.92Å; E955-Q959 WeakPolarHBondContact O-CG 3.49Å; E955-Q959 PolarHBondContact O-N 2.92Å; E955-Q959 PolarHBondContact OE1-NE2 2.9Å |
| 956 | L | 87.8 | Confident | 82.8 | Confident | 106 Ų | 106 | 106.7 Ų | 106.7 | 56% | 0.555 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.9 | -40.9 | 174.9 | -173.9 | 69.4 | 0 | 0 | 0 | 112.3 | W952 R953 Q959 N960 | W952-L956 WeakPolarHBondContact O-CB 3.19Å; W952-L956 PolarHBondContact O-N 2.9Å; R953-L956 PolarHBondContact O-N 3.3Å; L956-Q959 CarbonylContact O-C 3.58Å; L956-Q959 PolarHBondContact O-N 3.49Å; L956-N960 PolarHBondContact O-N 2.83Å |
| 957 | D | 85 | Confident | 81.5 | Confident | 92 Ų | 92 | 107.5 Ų | 107.5 | 49% | 0.492 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.2 | -36.6 | 176.5 | -73.6 | -26.8 | 0 | 0 | 0 | 111.8 | R953 M954 E955 Q959 N960 V961 | R953-D957 WeakPolarHBondContact O-CB 3.13Å; R953-D957 PolarHBondContact O-N 3.46Å; M954-D957 PolarHBondContact O-N 2.86Å; E955-D957 VanDerWaalsContact C-N 3.33Å; E955-D957 PolarHBondContact O-N 2.75Å; D957-Q959 VanDerWaalsContact C-N 3.32Å; D957-Q959 PolarHBondContact O-N 3.46Å; D957-N960 PolarHBondContact O-N 2.95Å; D957-V961 WeakPolarHBondContact O-CG2 3.48Å; D957-V961 PolarHBondContact O-N 3.12Å |
| 958 | I | 83.8 | Confident | 79.8 | Confident | 81 Ų | 81 | 105.9 Ų | 105.9 | 42% | 0.415 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62 | -39.6 | 170.6 | -73.7 | 165.3 | 0 | 0 | 0 | 111 | M954 E955 K962 | M954-I958 WeakPolarHBondContact O-CB 3.37Å; M954-I958 VanDerWaalsContact O-CG1 3.26Å; M954-I958 WeakPolarHBondContact O-CG1 3.4Å; M954-I958 PolarHBondContact O-N 3.02Å; E955-I958 WeakPolarHBondContact O-CB 3.42Å; E955-I958 PolarHBondContact O-N 2.92Å; I958-K962 HydrophobicContact CG2-CD 4.44Å; I958-K962 VanDerWaalsContact CG2-CE 3.46Å; I958-K962 VanDerWaalsContact O-CG 3.28Å; I958-K962 WeakPolarHBondContact O-CG 3.39Å; I958-K962 PolarHBondContact O-N 3.36Å; I958-K962 VanDerWaalsContact O-N 3.07Å |
| 959 | Q | 82.8 | Confident | 78.2 | Confident | 88 Ų | 88 | 108.5 Ų | 108.5 | 41% | 0.411 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -70 | -37.4 | 173.9 | -58 | -60.1 | -23.9 | 0 | 0 | 112 | E955 L956 D957 K962 L963 | E955-Q959 WeakPolarHBondContact O-CG 3.49Å; E955-Q959 PolarHBondContact O-N 2.92Å; E955-Q959 PolarHBondContact OE1-NE2 2.9Å; L956-Q959 CarbonylContact O-C 3.58Å; L956-Q959 PolarHBondContact O-N 3.49Å; D957-Q959 VanDerWaalsContact C-N 3.32Å; D957-Q959 PolarHBondContact O-N 3.46Å; Q959-K962 PolarHBondContact O-N 3.5Å; Q959-L963 WeakPolarHBondContact O-CB 3.26Å; Q959-L963 PolarHBondContact O-N 3.43Å |
| 960 | N | 81 | Confident | 76.5 | Confident | 70 Ų | 70 | 109.6 Ų | 109.6 | 37% | 0.374 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.5 | -39 | 172.4 | -84.2 | -33.5 | 0 | 0 | 0 | 112.5 | L956 D957 L963 Q964 | L956-N960 PolarHBondContact O-N 2.83Å; D957-N960 PolarHBondContact O-N 2.95Å; N960-L963 CarbonylContact O-C 3.56Å; N960-L963 WeakPolarHBondContact O-CB 3.36Å; N960-L963 PolarHBondContact O-N 2.97Å; N960-Q964 WeakPolarHBondContact O-CB 3.2Å; N960-Q964 WeakPolarHBondContact O-CG 3.42Å; N960-Q964 PolarHBondContact O-N 3.2Å |
| 961 | V | 80.7 | Confident | 75.1 | Confident | 74 Ų | 74 | 112.1 Ų | 112.1 | 45% | 0.448 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -69.8 | -37.1 | 176.2 | 170.5 | 0 | 0 | 0 | 0 | 111.2 | D957 L963 Q964 N965 | D957-V961 WeakPolarHBondContact O-CG2 3.48Å; D957-V961 PolarHBondContact O-N 3.12Å; V961-L963 VanDerWaalsContact C-N 3.29Å; V961-L963 PolarHBondContact O-N 3.07Å; V961-Q964 PolarHBondContact O-N 3.43Å; V961-N965 WeakPolarHBondContact O-CB 3.36Å; V961-N965 PolarHBondContact O-N 2.97Å; V961-N965 PolarHBondContact O-ND2 3.42Å |
| 962 | K | 77.4 | Confident | 73.8 | Confident | 110 Ų | 110 | 112.8 Ų | 112.8 | 48% | 0.478 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -60.4 | -39.6 | 169.1 | -69.3 | 165.7 | -165.5 | 166.1 | 0 | 111.4 | I958 Q959 A966 | I958-K962 HydrophobicContact CG2-CD 4.44Å; I958-K962 VanDerWaalsContact CG2-CE 3.46Å; I958-K962 VanDerWaalsContact O-CG 3.28Å; I958-K962 WeakPolarHBondContact O-CG 3.39Å; I958-K962 PolarHBondContact O-N 3.36Å; I958-K962 VanDerWaalsContact O-N 3.07Å; Q959-K962 PolarHBondContact O-N 3.5Å; K962-A966 PolarHBondContact O-N 2.84Å |
| 963 | L | 72.2 | Confident | 72.7 | Confident | 110 Ų | 110 | 107.2 Ų | 107.2 | 58% | 0.576 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.8 | -47.6 | 175.5 | -164 | 78.5 | 0 | 0 | 0 | 111.7 | Q959 N960 V961 N965 A966 T967 | Q959-L963 WeakPolarHBondContact O-CB 3.26Å; Q959-L963 PolarHBondContact O-N 3.43Å; N960-L963 CarbonylContact O-C 3.56Å; N960-L963 WeakPolarHBondContact O-CB 3.36Å; N960-L963 PolarHBondContact O-N 2.97Å; V961-L963 VanDerWaalsContact C-N 3.29Å; V961-L963 PolarHBondContact O-N 3.07Å; L963-N965 PolarHBondContact O-N 3.24Å; L963-A966 WeakPolarHBondContact O-CA 3.46Å; L963-A966 WeakPolarHBondContact O-CB 3.39Å; L963-A966 PolarHBondContact O-N 3.19Å; L963-T967 PolarHBondContact O-N 2.91Å; L963-T967 PolarHBondContact O-OG1 2.93Å |
| 964 | Q | 66.6 | Low | 71.6 | Confident | 118 Ų | 118 | 104.1 Ų | 104.1 | 55% | 0.551 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62.5 | -39.9 | -179.6 | -77.8 | -175 | -49.8 | 0 | 0 | 112.6 | N960 V961 A966 T967 | N960-Q964 WeakPolarHBondContact O-CB 3.2Å; N960-Q964 WeakPolarHBondContact O-CG 3.42Å; N960-Q964 PolarHBondContact O-N 3.2Å; V961-Q964 PolarHBondContact O-N 3.43Å; Q964-A966 PolarHBondContact O-N 3.36Å; Q964-T967 WeakPolarHBondContact CA-OG1 3.45Å; Q964-T967 PolarHBondContact O-N 3.32Å; Q964-T967 PolarHBondContact O-OG1 3.02Å |
| 965 | N | 65.4 | Low | 70.9 | Confident | 126 Ų | 126 | 103.9 Ų | 103.9 | 67% | 0.674 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63 | -20.2 | 172.9 | -76.3 | -27.1 | 0 | 0 | 0 | 113.2 | V961 L963 | V961-N965 WeakPolarHBondContact O-CB 3.36Å; V961-N965 PolarHBondContact O-N 2.97Å; V961-N965 PolarHBondContact O-ND2 3.42Å; L963-N965 PolarHBondContact O-N 3.24Å |
| 966 | A | 60.9 | Low | 70.4 | Confident | 85 Ų | 85 | 109.2 Ų | 109.2 | 70% | 0.702 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -6.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | K962 L963 Q964 | K962-A966 PolarHBondContact O-N 2.84Å; L963-A966 WeakPolarHBondContact O-CA 3.46Å; L963-A966 WeakPolarHBondContact O-CB 3.39Å; L963-A966 PolarHBondContact O-N 3.19Å; Q964-A966 PolarHBondContact O-N 3.36Å |
| 967 | T | 60.9 | Low | 70 | Confident | 83 Ų | 83 | 109.1 Ų | 109.1 | 51% | 0.509 | 57% | 0.573 | S | S | . | * | trans | -122.4 | 17.2 | -171.8 | 59.7 | 0 | 0 | 0 | 0 | 115 | L963 Q964 L969 | L963-T967 PolarHBondContact O-N 2.91Å; L963-T967 PolarHBondContact O-OG1 2.93Å; Q964-T967 WeakPolarHBondContact CA-OG1 3.45Å; Q964-T967 PolarHBondContact O-N 3.32Å; Q964-T967 PolarHBondContact O-OG1 3.02Å; T967-L969 PolarHBondContact O-N 2.77Å | ||
| 968 | S | 56.1 | Low | 69.8 | Low | 105 Ų | 105 | 109.6 Ų | 109.6 | 73% | 0.734 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | 44.2 | -173.1 | 74.4 | 0 | 0 | 0 | 0 | 115.3 | ||
| 969 | L | 54.7 | Low | 69.7 | Low | 157 Ų | 157 | 111.8 Ų | 111.8 | 82% | 0.822 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.2 | 12.5 | -169.6 | -137.3 | 125.2 | 0 | 0 | 0 | 114.3 | T967 | T967-L969 PolarHBondContact O-N 2.77Š|
| 970 | L | 55.9 | Low | 69.9 | Low | 114 Ų | 114 | 112.2 Ų | 112.2 | 60% | 0.597 | 59% | 0.585 | S | S | * | * | trans | -141 | 47.6 | -169.4 | -78.5 | 169 | 0 | 0 | 0 | 113.4 | D972 T973 E974 | L970-D972 PolarHBondContact O-N 3.03Å; L970-T973 HydrophobicContact CB-CG2 4.15Å; L970-T973 HydrophobicContact CD2-CG2 4.2Å; L970-T973 WeakPolarHBondContact O-CB 3.25Å; L970-T973 PolarHBondContact O-N 3.41Å; L970-T973 PolarHBondContact O-OG1 3.43Å; L970-E974 PolarHBondContact O-N 3.31Å | ||
| 971 | E | 60.3 | Low | 70.2 | Confident | 165 Ų | 165 | 113.2 Ų | 113.2 | 77% | 0.771 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -54.7 | -39 | -171.1 | -62.9 | -178.3 | 123.9 | 0 | 0 | 114.8 | T973 E974 L975 | E971-T973 VanDerWaalsContact C-N 3.28Å; E971-T973 PolarHBondContact O-N 2.81Å; E971-E974 WeakPolarHBondContact O-CA 3.24Å; E971-E974 WeakPolarHBondContact O-CB 3.5Å; E971-E974 PolarHBondContact O-N 2.85Å; E971-L975 PolarHBondContact O-N 2.88Å |
| 972 | D | 60.6 | Low | 70.5 | Confident | 144 Ų | 144 | 118 Ų | 118 | 77% | 0.77 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63.2 | -32.1 | 176.4 | -83.4 | -24.7 | 0 | 0 | 0 | 113.1 | L970 E974 | L970-D972 PolarHBondContact O-N 3.03Å; D972-E974 PolarHBondContact O-N 3.32Å |
| 973 | T | 66.9 | Low | 71.1 | Confident | 67 Ų | 67 | 117.8 Ų | 117.8 | 41% | 0.411 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -70.5 | -27.3 | 174 | 75.1 | 0 | 0 | 0 | 0 | 111.4 | L970 E971 R976 L977 | L970-T973 HydrophobicContact CB-CG2 4.15Å; L970-T973 HydrophobicContact CD2-CG2 4.2Å; L970-T973 WeakPolarHBondContact O-CB 3.25Å; L970-T973 PolarHBondContact O-N 3.41Å; L970-T973 PolarHBondContact O-OG1 3.43Å; E971-T973 VanDerWaalsContact C-N 3.28Å; E971-T973 PolarHBondContact O-N 2.81Å; T973-R976 PolarHBondContact O-N 3.06Å; T973-L977 WeakPolarHBondContact O-CB 3.46Å; T973-L977 PolarHBondContact O-N 3.34Å |
| 974 | E | 68.5 | Low | 72 | Confident | 88 Ų | 88 | 119.9 Ų | 119.9 | 41% | 0.411 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -72.1 | -35.4 | -177 | -153.8 | -160.4 | -133.5 | 0 | 0 | 111.9 | L970 E971 D972 R976 L977 K978 | L970-E974 PolarHBondContact O-N 3.31Å; E971-E974 WeakPolarHBondContact O-CA 3.24Å; E971-E974 WeakPolarHBondContact O-CB 3.5Å; E971-E974 PolarHBondContact O-N 2.85Å; D972-E974 PolarHBondContact O-N 3.32Å; E974-R976 VanDerWaalsContact C-N 3.35Å; E974-L977 PolarHBondContact O-N 3.03Å; E974-K978 WeakPolarHBondContact O-CB 3.38Å; E974-K978 WeakPolarHBondContact O-CD 3.48Å; E974-K978 VanDerWaalsContact O-CG 3.25Å; E974-K978 WeakPolarHBondContact O-CG 3.37Å; E974-K978 PolarHBondContact O-N 3.1Å; E974-K978 WeakPolarHBondContact OE2-CE 3.22Å; E974-K978 IonicContact OE2-NZ 3.57Å; E974-K978 PolarHBondContact OE2-NZ 3.38Å |
| 975 | L | 73 | Confident | 73.1 | Confident | 114 Ų | 114 | 117.1 Ų | 117.1 | 60% | 0.597 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -64.9 | -38.6 | 170.6 | -76.9 | 173.6 | 0 | 0 | 0 | 112 | E971 K978 M979 | E971-L975 PolarHBondContact O-N 2.88Å; L975-K978 HydrophobicContact CD2-CD 4.4Å; L975-K978 PolarHBondContact O-N 2.99Å; L975-M979 PolarHBondContact O-N 2.66Å |
| 976 | R | 78 | Confident | 74.3 | Confident | 197 Ų | 197 | 114.1 Ų | 114.1 | 74% | 0.743 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -69 | -37.9 | 175.5 | -146.6 | 175.9 | -164.5 | -148.3 | 2.1 | 111.7 | T973 E974 M979 L980 | T973-R976 PolarHBondContact O-N 3.06Å; E974-R976 VanDerWaalsContact C-N 3.35Å; R976-M979 WeakPolarHBondContact O-CB 3.35Å; R976-M979 PolarHBondContact O-N 2.9Å; R976-L980 WeakPolarHBondContact O-CG 3.43Å; R976-L980 PolarHBondContact O-N 3.4Å |
| 977 | L | 78.6 | Confident | 75.7 | Confident | 104 Ų | 104 | 115.2 Ų | 115.2 | 55% | 0.545 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.4 | -40.5 | 169.2 | -83.1 | 162.6 | 0 | 0 | 0 | 112.3 | T973 E974 M979 L980 N981 | T973-L977 WeakPolarHBondContact O-CB 3.46Å; T973-L977 PolarHBondContact O-N 3.34Å; E974-L977 PolarHBondContact O-N 3.03Å; L977-M979 VanDerWaalsContact C-N 3.33Å; L977-M979 PolarHBondContact O-N 3.47Å; L977-L980 PolarHBondContact O-N 3.36Å; L977-N981 VanDerWaalsContact O-CB 3.22Å; L977-N981 WeakPolarHBondContact O-CB 3.29Å; L977-N981 PolarHBondContact O-N 2.93Å |
| 978 | K | 81.6 | Confident | 77.2 | Confident | 101 Ų | 101 | 115.6 Ų | 115.6 | 44% | 0.439 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.3 | -34.8 | 176.4 | -77 | 160.3 | 175.2 | 168 | 0 | 112.5 | E974 L975 R982 | E974-K978 WeakPolarHBondContact O-CB 3.38Å; E974-K978 WeakPolarHBondContact O-CD 3.48Å; E974-K978 VanDerWaalsContact O-CG 3.25Å; E974-K978 WeakPolarHBondContact O-CG 3.37Å; E974-K978 PolarHBondContact O-N 3.1Å; E974-K978 WeakPolarHBondContact OE2-CE 3.22Å; E974-K978 IonicContact OE2-NZ 3.57Å; E974-K978 PolarHBondContact OE2-NZ 3.38Å; L975-K978 HydrophobicContact CD2-CD 4.4Å; L975-K978 PolarHBondContact O-N 2.99Å; K978-R982 PolarHBondContact O-N 3.37Å |
| 979 | M | 81.9 | Confident | 78.9 | Confident | 127 Ų | 127 | 117 Ų | 117 | 63% | 0.626 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.2 | -57.3 | 169.2 | -75.1 | -79.4 | -73.3 | 0 | 0 | 111.2 | L975 R976 L977 N981 R982 E983 | L975-M979 PolarHBondContact O-N 2.66Å; R976-M979 WeakPolarHBondContact O-CB 3.35Å; R976-M979 PolarHBondContact O-N 2.9Å; L977-M979 VanDerWaalsContact C-N 3.33Å; L977-M979 PolarHBondContact O-N 3.47Å; M979-N981 PolarHBondContact O-N 2.95Å; M979-R982 WeakPolarHBondContact O-CB 3.35Å; M979-R982 PolarHBondContact O-N 2.98Å; M979-E983 PolarHBondContact O-N 3.25Å; M979-E983 VanDerWaalsContact O-N 3.09Å |
| 980 | L | 85.8 | Confident | 80.7 | Confident | 98 Ų | 98 | 117.2 Ų | 117.2 | 51% | 0.513 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -59.6 | -31.6 | -178.9 | -70.8 | 167.4 | 0 | 0 | 0 | 112.9 | R976 L977 R984 | R976-L980 WeakPolarHBondContact O-CG 3.43Å; R976-L980 PolarHBondContact O-N 3.4Å; L977-L980 PolarHBondContact O-N 3.36Å; L980-R984 VanDerWaalsContact O-CB 3.26Å; L980-R984 WeakPolarHBondContact O-CB 3.39Å; L980-R984 PolarHBondContact O-N 2.94Å |
| 981 | N | 87.7 | Confident | 82.3 | Confident | 90 Ų | 90 | 117.2 Ų | 117.2 | 48% | 0.481 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -74.1 | -33 | 177.5 | -161 | 42.7 | 0 | 0 | 0 | 112.3 | L977 M979 T985 | L977-N981 VanDerWaalsContact O-CB 3.22Å; L977-N981 WeakPolarHBondContact O-CB 3.29Å; L977-N981 PolarHBondContact O-N 2.93Å; M979-N981 PolarHBondContact O-N 2.95Å; N981-T985 WeakPolarHBondContact O-CG2 3.33Å; N981-T985 PolarHBondContact O-N 2.92Å; N981-T985 PolarHBondContact O-OG1 3.47Å |
| 982 | R | 88.6 | Confident | 83.8 | Confident | 174 Ų | 174 | 112.2 Ų | 112.2 | 66% | 0.657 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.1 | -46.2 | 170.1 | -74.3 | -176.2 | -177.2 | 118.8 | -2.9 | 111 | K978 M979 R984 T985 A986 | K978-R982 PolarHBondContact O-N 3.37Å; M979-R982 WeakPolarHBondContact O-CB 3.35Å; M979-R982 PolarHBondContact O-N 2.98Å; R982-R984 VanDerWaalsContact C-N 3.34Å; R982-R984 PolarHBondContact O-N 3.2Å; R982-T985 WeakPolarHBondContact CA-OG1 3.46Å; R982-T985 PolarHBondContact O-N 3.43Å; R982-T985 VanDerWaalsContact O-N 3.12Å; R982-T985 PolarHBondContact O-OG1 3.4Å; R982-A986 PolarHBondContact O-N 3.34Å |
| 983 | E | 88.6 | Confident | 85.2 | Confident | 106 Ų | 106 | 110.1 Ų | 110.1 | 50% | 0.495 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.1 | -46 | 176.2 | -167.7 | 179.3 | 172.8 | 0 | 0 | 111.1 | M979 T985 A986 Q987 | M979-E983 PolarHBondContact O-N 3.25Å; M979-E983 VanDerWaalsContact O-N 3.09Å; E983-T985 PolarHBondContact O-N 2.85Å; E983-A986 WeakPolarHBondContact O-CB 3.38Å; E983-A986 PolarHBondContact O-N 2.93Å; E983-A986 VanDerWaalsContact O-N 3.16Å; E983-Q987 WeakPolarHBondContact O-CG 3.33Å; E983-Q987 PolarHBondContact O-N 2.88Å |
| 984 | R | 90.8 | Very high | 86.4 | Confident | 154 Ų | 154 | 111.2 Ų | 111.2 | 58% | 0.581 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -56.6 | -42.8 | 171.5 | -175.7 | -175.9 | -178.9 | -173.9 | 2.9 | 112.6 | L980 R982 Q987 M988 | L980-R984 VanDerWaalsContact O-CB 3.26Å; L980-R984 WeakPolarHBondContact O-CB 3.39Å; L980-R984 PolarHBondContact O-N 2.94Å; R982-R984 VanDerWaalsContact C-N 3.34Å; R982-R984 PolarHBondContact O-N 3.2Å; R984-Q987 PolarHBondContact O-N 2.88Å; R984-M988 WeakPolarHBondContact O-CG 3.38Å; R984-M988 PolarHBondContact O-N 3.22Å |
| 985 | T | 90.5 | Very high | 87.5 | Confident | 61 Ų | 61 | 111.5 Ų | 111.5 | 37% | 0.374 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.4 | -35.2 | 176.6 | 50.5 | 0 | 0 | 0 | 0 | 113.1 | N981 R982 E983 M988 H989 | N981-T985 WeakPolarHBondContact O-CG2 3.33Å; N981-T985 PolarHBondContact O-N 2.92Å; N981-T985 PolarHBondContact O-OG1 3.47Å; R982-T985 WeakPolarHBondContact CA-OG1 3.46Å; R982-T985 PolarHBondContact O-N 3.43Å; R982-T985 VanDerWaalsContact O-N 3.12Å; R982-T985 PolarHBondContact O-OG1 3.4Å; E983-T985 PolarHBondContact O-N 2.85Å; T985-M988 HydrophobicContact CG2-CE 3.98Å; T985-M988 PolarHBondContact O-N 3.41Å; T985-H989 PolarHBondContact O-N 3.4Å |
| 986 | A | 89.8 | Confident | 88.3 | Confident | 62 Ų | 62 | 110.3 Ų | 110.3 | 51% | 0.512 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.9 | -42.6 | 173 | 0 | 0 | 0 | 0 | 0 | 111.4 | R982 E983 H989 R990 | R982-A986 PolarHBondContact O-N 3.34Å; E983-A986 WeakPolarHBondContact O-CB 3.38Å; E983-A986 PolarHBondContact O-N 2.93Å; E983-A986 VanDerWaalsContact O-N 3.16Å; A986-H989 PolarHBondContact O-N 2.87Å; A986-R990 PolarHBondContact O-N 2.95Å |
| 987 | Q | 91.9 | Very high | 89 | Confident | 109 Ų | 109 | 106.2 Ų | 106.2 | 51% | 0.509 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.5 | -42.5 | 174.1 | -70.6 | 172.6 | 2.9 | 0 | 0 | 112 | E983 R984 H989 R990 M991 | E983-Q987 WeakPolarHBondContact O-CG 3.33Å; E983-Q987 PolarHBondContact O-N 2.88Å; R984-Q987 PolarHBondContact O-N 2.88Å; Q987-H989 PolarHBondContact O-N 2.87Å; Q987-R990 PolarHBondContact O-N 2.84Å; Q987-M991 WeakPolarHBondContact O-CG 3.3Å; Q987-M991 PolarHBondContact O-N 3.43Å |
| 988 | M | 91.2 | Very high | 89.6 | Confident | 91 Ų | 91 | 106.7 Ų | 106.7 | 45% | 0.448 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.1 | -41 | 174.1 | -72.9 | -169 | -49.2 | 0 | 0 | 112.5 | R984 T985 R990 M991 S992 | R984-M988 WeakPolarHBondContact O-CG 3.38Å; R984-M988 PolarHBondContact O-N 3.22Å; T985-M988 HydrophobicContact CG2-CE 3.98Å; T985-M988 PolarHBondContact O-N 3.41Å; M988-R990 VanDerWaalsContact C-N 3.34Å; M988-M991 PolarHBondContact O-N 3.2Å; M988-S992 WeakPolarHBondContact O-CB 3.34Å; M988-S992 PolarHBondContact O-N 2.88Å |
| 989 | H | 91.2 | Very high | 90.1 | Very high | 133 Ų | 133 | 105.1 Ų | 105.1 | 62% | 0.616 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.3 | -40.1 | 173 | -96 | -65.9 | 0 | 0 | 0 | 112.2 | T985 A986 Q987 S992 Q993 | T985-H989 PolarHBondContact O-N 3.4Å; A986-H989 PolarHBondContact O-N 2.87Å; Q987-H989 PolarHBondContact O-N 2.87Å; H989-S992 PolarHBondContact O-N 3.05Å; H989-Q993 WeakPolarHBondContact O-CG 3.36Å; H989-Q993 PolarHBondContact O-N 3.17Å |
| 990 | R | 93.5 | Very high | 90.5 | Very high | 163 Ų | 163 | 102.5 Ų | 102.5 | 62% | 0.615 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.8 | -40.8 | 175.9 | -170.7 | 67.1 | 179.5 | -146.8 | 2.5 | 112.1 | A986 Q987 M988 Q993 L994 | A986-R990 PolarHBondContact O-N 2.95Å; Q987-R990 PolarHBondContact O-N 2.84Å; M988-R990 VanDerWaalsContact C-N 3.34Å; R990-Q993 PolarHBondContact O-N 3.5Å; R990-L994 HydrophobicContact CG-CD1 4.35Å; R990-L994 VanDerWaalsContact O-CG 3.32Å; R990-L994 WeakPolarHBondContact O-CG 3.37Å; R990-L994 PolarHBondContact O-N 2.74Å |
| 991 | M | 89.2 | Confident | 90.8 | Very high | 114 Ų | 114 | 103.1 Ų | 103.1 | 56% | 0.562 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.8 | -46.5 | 173.3 | -67.8 | -164.3 | -46.3 | 0 | 0 | 111.2 | Q987 M988 Q993 L994 E995 | Q987-M991 WeakPolarHBondContact O-CG 3.3Å; Q987-M991 PolarHBondContact O-N 3.43Å; M988-M991 PolarHBondContact O-N 3.2Å; M991-Q993 VanDerWaalsContact C-N 3.29Å; M991-Q993 PolarHBondContact O-N 3.39Å; M991-L994 CarbonylContact O-C 3.6Å; M991-L994 PolarHBondContact O-N 3.39Å; M991-L994 VanDerWaalsContact O-N 3.1Å; M991-E995 WeakPolarHBondContact O-CG 3.33Å; M991-E995 PolarHBondContact O-N 3Å |
| 992 | S | 91.4 | Very high | 91 | Very high | 59 Ų | 59 | 103.4 Ų | 103.4 | 41% | 0.413 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.8 | -34.9 | 178.6 | -179.2 | 0 | 0 | 0 | 0 | 113 | M988 H989 E995 T996 | M988-S992 WeakPolarHBondContact O-CB 3.34Å; M988-S992 PolarHBondContact O-N 2.88Å; H989-S992 PolarHBondContact O-N 3.05Å; S992-E995 PolarHBondContact O-N 3.16Å; S992-T996 PolarHBondContact O-N 2.98Å; S992-T996 VanDerWaalsContact O-N 3.09Å; S992-T996 PolarHBondContact O-OG1 3.13Å |
| 993 | Q | 91.1 | Very high | 91.1 | Very high | 100 Ų | 100 | 102.5 Ų | 102.5 | 47% | 0.467 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.6 | -49.7 | 170.6 | -74.7 | 172.9 | -28.2 | 0 | 0 | 111.6 | H989 R990 M991 E995 T996 E997 | H989-Q993 WeakPolarHBondContact O-CG 3.36Å; H989-Q993 PolarHBondContact O-N 3.17Å; R990-Q993 PolarHBondContact O-N 3.5Å; M991-Q993 VanDerWaalsContact C-N 3.29Å; M991-Q993 PolarHBondContact O-N 3.39Å; Q993-E995 VanDerWaalsContact C-N 3.27Å; Q993-E995 PolarHBondContact O-N 2.62Å; Q993-T996 PolarHBondContact O-N 3.12Å; Q993-T996 VanDerWaalsContact O-N 3.09Å; Q993-T996 PolarHBondContact O-OG1 3.34Å; Q993-E997 WeakPolarHBondContact O-CG 3.41Å; Q993-E997 PolarHBondContact O-N 2.95Å |
| 994 | L | 92.1 | Very high | 91.2 | Very high | 90 Ų | 90 | 101.9 Ų | 101.9 | 47% | 0.471 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.6 | -31.3 | 177.3 | -68.6 | 167.5 | 0 | 0 | 0 | 112.8 | R990 M991 R998 | R990-L994 HydrophobicContact CG-CD1 4.35Å; R990-L994 VanDerWaalsContact O-CG 3.32Å; R990-L994 WeakPolarHBondContact O-CG 3.37Å; R990-L994 PolarHBondContact O-N 2.74Å; M991-L994 CarbonylContact O-C 3.6Å; M991-L994 PolarHBondContact O-N 3.39Å; M991-L994 VanDerWaalsContact O-N 3.1Å; L994-R998 VanDerWaalsContact O-CB 3.28Å; L994-R998 WeakPolarHBondContact O-CB 3.35Å; L994-R998 PolarHBondContact O-N 2.96Å |
| 995 | E | 90.5 | Very high | 91.1 | Very high | 94 Ų | 94 | 97.1 Ų | 97.1 | 44% | 0.439 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.6 | -43.7 | 171.5 | -71.6 | 175.9 | 137.9 | 0 | 0 | 111.4 | M991 S992 Q993 R998 D999 | M991-E995 WeakPolarHBondContact O-CG 3.33Å; M991-E995 PolarHBondContact O-N 3Å; S992-E995 PolarHBondContact O-N 3.16Å; Q993-E995 VanDerWaalsContact C-N 3.27Å; Q993-E995 PolarHBondContact O-N 2.62Å; E995-R998 PolarHBondContact O-N 2.72Å; E995-D999 WeakPolarHBondContact O-CB 3.34Å; E995-D999 VanDerWaalsContact O-CG 3.29Å; E995-D999 PolarHBondContact O-N 2.84Å |
| 996 | T | 90.5 | Very high | 91.1 | Very high | 90 Ų | 90 | 97.1 Ų | 97.1 | 55% | 0.552 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -67.7 | -34.6 | 174.7 | 53.4 | 0 | 0 | 0 | 0 | 113.3 | S992 Q993 E1000 | S992-T996 PolarHBondContact O-N 2.98Å; S992-T996 VanDerWaalsContact O-N 3.09Å; S992-T996 PolarHBondContact O-OG1 3.13Å; Q993-T996 PolarHBondContact O-N 3.12Å; Q993-T996 VanDerWaalsContact O-N 3.09Å; Q993-T996 PolarHBondContact O-OG1 3.34Å; T996-E1000 WeakPolarHBondContact O-CB 3.37Å; T996-E1000 PolarHBondContact O-N 2.77Å |
| 997 | E | 91.8 | Very high | 91 | Very high | 110 Ų | 110 | 98 Ų | 98 | 51% | 0.514 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.3 | -41.6 | 174 | -71.6 | 170.2 | -167.5 | 0 | 0 | 111.3 | Q993 E1000 L1001 | Q993-E997 WeakPolarHBondContact O-CG 3.41Å; Q993-E997 PolarHBondContact O-N 2.95Å; E997-E1000 PolarHBondContact O-N 3.48Å; E997-L1001 WeakPolarHBondContact O-CG 3.4Å; E997-L1001 PolarHBondContact O-N 2.65Å |
| 998 | R | 92.4 | Very high | 90.7 | Very high | 115 Ų | 115 | 98.5 Ų | 98.5 | 43% | 0.434 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.2 | -50.2 | 172 | 178.3 | -157.4 | 68.4 | -145.1 | -5.7 | 111.3 | L994 E995 E1000 L1001 I1002 | L994-R998 VanDerWaalsContact O-CB 3.28Å; L994-R998 WeakPolarHBondContact O-CB 3.35Å; L994-R998 PolarHBondContact O-N 2.96Å; E995-R998 PolarHBondContact O-N 2.72Å; R998-E1000 VanDerWaalsContact C-N 3.29Å; R998-E1000 PolarHBondContact O-N 3.04Å; R998-L1001 PolarHBondContact O-N 3.3Å; R998-I1002 HydrophobicContact CG-CD1 3.85Å; R998-I1002 HydrophobicContact CG-CG1 4.49Å; R998-I1002 WeakPolarHBondContact O-CG1 3.48Å; R998-I1002 PolarHBondContact O-N 2.93Å |
| 999 | D | 92.8 | Very high | 90.6 | Very high | 67 Ų | 67 | 98.7 Ų | 98.7 | 36% | 0.358 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.7 | -30.1 | -175.1 | -68.3 | -16 | 0 | 0 | 0 | 111.9 | E995 R1003 | E995-D999 WeakPolarHBondContact O-CB 3.34Å; E995-D999 VanDerWaalsContact O-CG 3.29Å; E995-D999 PolarHBondContact O-N 2.84Å; D999-R1003 WeakPolarHBondContact O-CG 3.36Å; D999-R1003 PolarHBondContact O-N 3.38Å |
| 1000 | E | 89.7 | Confident | 90.5 | Very high | 72 Ų | 72 | 94.3 Ų | 94.3 | 34% | 0.336 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.4 | -46.7 | 168.6 | -177.3 | 53.9 | -153.8 | 0 | 0 | 112.2 | T996 E997 R998 I1002 R1003 Q1004 | T996-E1000 WeakPolarHBondContact O-CB 3.37Å; T996-E1000 PolarHBondContact O-N 2.77Å; E997-E1000 PolarHBondContact O-N 3.48Å; R998-E1000 VanDerWaalsContact C-N 3.29Å; R998-E1000 PolarHBondContact O-N 3.04Å; E1000-I1002 VanDerWaalsContact C-N 3.31Å; E1000-I1002 PolarHBondContact O-N 3.23Å; E1000-R1003 PolarHBondContact O-N 2.92Å; E1000-R1003 IonicContact OE2-CZ 3.59Å; E1000-R1003 IonicContact OE2-NE 2.68Å; E1000-R1003 PolarHBondContact OE2-NE 2.75Å; E1000-R1003 IonicContact OE2-NH2 3.83Å; E1000-R1003 PolarHBondContact OE2-NH2 3.02Å; E1000-Q1004 WeakPolarHBondContact O-CG 3.49Å; E1000-Q1004 PolarHBondContact O-N 2.96Å; E1000-Q1004 PolarHBondContact OE1-NE2 3.19Å |
| 1001 | L | 92 | Very high | 90.1 | Very high | 112 Ų | 112 | 95.1 Ų | 95.1 | 59% | 0.586 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.1 | -36.6 | 175.5 | -71.6 | 170 | 0 | 0 | 0 | 112.5 | E997 R998 Q1004 A1005 | E997-L1001 WeakPolarHBondContact O-CG 3.4Å; E997-L1001 PolarHBondContact O-N 2.65Å; R998-L1001 PolarHBondContact O-N 3.3Å; L1001-Q1004 PolarHBondContact O-N 3.3Å; L1001-A1005 WeakPolarHBondContact O-CB 3.42Å; L1001-A1005 PolarHBondContact O-N 3.29Å |
| 1002 | I | 91.1 | Very high | 89.9 | Confident | 96 Ų | 96 | 91.2 Ų | 91.2 | 49% | 0.492 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.1 | -43.4 | 174 | -70.4 | 168.2 | 0 | 0 | 0 | 110.7 | R998 E1000 Q1004 A1005 A1006 | R998-I1002 HydrophobicContact CG-CD1 3.85Å; R998-I1002 HydrophobicContact CG-CG1 4.49Å; R998-I1002 WeakPolarHBondContact O-CG1 3.48Å; R998-I1002 PolarHBondContact O-N 2.93Å; E1000-I1002 VanDerWaalsContact C-N 3.31Å; E1000-I1002 PolarHBondContact O-N 3.23Å; I1002-Q1004 PolarHBondContact O-N 3.36Å; I1002-A1005 PolarHBondContact O-N 2.92Å; I1002-A1006 WeakPolarHBondContact O-CB 3.47Å; I1002-A1006 PolarHBondContact O-N 3.41Å |
| 1003 | R | 91 | Very high | 89.7 | Confident | 155 Ų | 155 | 90.7 Ų | 90.7 | 59% | 0.585 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.5 | -41.6 | 175.3 | -73.5 | -171.3 | -63.1 | -147.8 | 1.2 | 112.1 | D999 E1000 A1006 T1007 | D999-R1003 WeakPolarHBondContact O-CG 3.36Å; D999-R1003 PolarHBondContact O-N 3.38Å; E1000-R1003 PolarHBondContact O-N 2.92Å; E1000-R1003 IonicContact OE2-CZ 3.59Å; E1000-R1003 IonicContact OE2-NE 2.68Å; E1000-R1003 PolarHBondContact OE2-NE 2.75Å; E1000-R1003 IonicContact OE2-NH2 3.83Å; E1000-R1003 PolarHBondContact OE2-NH2 3.02Å; R1003-A1006 PolarHBondContact O-N 2.89Å; R1003-T1007 WeakPolarHBondContact O-CB 3.27Å; R1003-T1007 PolarHBondContact O-N 2.89Å; R1003-T1007 PolarHBondContact O-OG1 3.05Å |
| 1004 | Q | 90.5 | Very high | 89.5 | Confident | 93 Ų | 93 | 88.5 Ų | 88.5 | 44% | 0.435 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.5 | -45.5 | 177.2 | -68.5 | 177.1 | 16.7 | 0 | 0 | 111.5 | E1000 L1001 I1002 A1006 T1007 I1008 | E1000-Q1004 WeakPolarHBondContact O-CG 3.49Å; E1000-Q1004 PolarHBondContact O-N 2.96Å; E1000-Q1004 PolarHBondContact OE1-NE2 3.19Å; L1001-Q1004 PolarHBondContact O-N 3.3Å; I1002-Q1004 PolarHBondContact O-N 3.36Å; Q1004-A1006 PolarHBondContact O-N 3.48Å; Q1004-T1007 PolarHBondContact O-N 3.1Å; Q1004-I1008 WeakPolarHBondContact O-CG1 3.21Å; Q1004-I1008 PolarHBondContact O-N 2.99Å |
| 1005 | A | 89.6 | Confident | 89.2 | Confident | 53 Ų | 53 | 89 Ų | 89 | 44% | 0.438 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.9 | -41.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1001 I1002 I1008 T1009 | L1001-A1005 WeakPolarHBondContact O-CB 3.42Å; L1001-A1005 PolarHBondContact O-N 3.29Å; I1002-A1005 PolarHBondContact O-N 2.92Å; A1005-I1008 PolarHBondContact O-N 3.47Å; A1005-T1009 WeakPolarHBondContact O-CB 3.4Å; A1005-T1009 PolarHBondContact O-N 3.32Å; A1005-T1009 PolarHBondContact O-OG1 3.42Å |
| 1006 | A | 89 | Confident | 89.1 | Confident | 62 Ų | 62 | 92.5 Ų | 92.5 | 51% | 0.512 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.9 | -41.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I1002 R1003 Q1004 T1009 G1010 | I1002-A1006 WeakPolarHBondContact O-CB 3.47Å; I1002-A1006 PolarHBondContact O-N 3.41Å; R1003-A1006 PolarHBondContact O-N 2.89Å; Q1004-A1006 PolarHBondContact O-N 3.48Å; A1006-T1009 PolarHBondContact O-N 3.48Å; A1006-G1010 PolarHBondContact O-N 3.47Å |
| 1007 | T | 87.7 | Confident | 88.9 | Confident | 81 Ų | 81 | 95.1 Ų | 95.1 | 50% | 0.497 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.6 | -43.4 | 178.4 | -55.6 | 0 | 0 | 0 | 0 | 112 | R1003 Q1004 G1010 R1011 | R1003-T1007 WeakPolarHBondContact O-CB 3.27Å; R1003-T1007 PolarHBondContact O-N 2.89Å; R1003-T1007 PolarHBondContact O-OG1 3.05Å; Q1004-T1007 PolarHBondContact O-N 3.1Å; T1007-G1010 PolarHBondContact O-N 2.95Å; T1007-R1011 PolarHBondContact O-N 3.22Å; T1007-R1011 VanDerWaalsContact O-N 3.09Å |
| 1008 | I | 86.9 | Confident | 88.6 | Confident | 118 Ų | 118 | 95.6 Ų | 95.6 | 61% | 0.605 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64 | -43 | 175.6 | -67.1 | 164.1 | 0 | 0 | 0 | 110.5 | Q1004 A1005 G1010 R1011 A1012 | Q1004-I1008 WeakPolarHBondContact O-CG1 3.21Å; Q1004-I1008 PolarHBondContact O-N 2.99Å; A1005-I1008 PolarHBondContact O-N 3.47Å; I1008-G1010 PolarHBondContact O-N 3.4Å; I1008-R1011 PolarHBondContact O-N 3.31Å; I1008-A1012 WeakPolarHBondContact O-CB 3.46Å; I1008-A1012 PolarHBondContact O-N 3.41Å |
| 1009 | T | 89.7 | Confident | 88.4 | Confident | 96 Ų | 96 | 93.1 Ų | 93.1 | 59% | 0.589 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.7 | -41 | 178.2 | -55.7 | 0 | 0 | 0 | 0 | 111.7 | A1005 A1006 A1013 | A1005-T1009 WeakPolarHBondContact O-CB 3.4Å; A1005-T1009 PolarHBondContact O-N 3.32Å; A1005-T1009 PolarHBondContact O-OG1 3.42Å; A1006-T1009 PolarHBondContact O-N 3.48Å; T1009-A1013 WeakPolarHBondContact O-CB 3.19Å; T1009-A1013 PolarHBondContact O-N 2.89Å |
| 1010 | G | 87.4 | Confident | 88.1 | Confident | 41 Ų | 41 | 95.5 Ų | 95.5 | 42% | 0.423 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.6 | -44.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A1006 T1007 I1008 A1013 A1014 | A1006-G1010 PolarHBondContact O-N 3.47Å; T1007-G1010 PolarHBondContact O-N 2.95Å; I1008-G1010 PolarHBondContact O-N 3.4Å; G1010-A1013 WeakPolarHBondContact O-CB 3.36Å; G1010-A1013 PolarHBondContact O-N 3.47Å; G1010-A1014 PolarHBondContact O-N 2.67Å; G1010-A1014 VanDerWaalsContact O-N 3.1Å |
| 1011 | R | 85.5 | Confident | 88 | Confident | 180 Ų | 180 | 94.5 Ų | 94.5 | 68% | 0.679 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.5 | -52.9 | 174 | -72.1 | -178.1 | 178.7 | -164 | -2.8 | 111.3 | T1007 I1008 A1013 A1014 D1015 | T1007-R1011 PolarHBondContact O-N 3.22Å; T1007-R1011 VanDerWaalsContact O-N 3.09Å; I1008-R1011 PolarHBondContact O-N 3.31Å; R1011-A1013 PolarHBondContact O-N 2.89Å; R1011-A1013 VanDerWaalsContact O-N 3.09Å; R1011-A1014 PolarHBondContact O-N 2.78Å; R1011-D1015 PolarHBondContact O-N 3.15Å; R1011-D1015 VanDerWaalsContact O-OD2 3.12Å |
| 1012 | A | 85.3 | Confident | 87.9 | Confident | 31 Ų | 31 | 95.6 Ų | 95.6 | 26% | 0.256 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.9 | -22.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | I1008 R1016 | I1008-A1012 WeakPolarHBondContact O-CB 3.46Å; I1008-A1012 PolarHBondContact O-N 3.41Å; A1012-R1016 VanDerWaalsContact C-NH1 3.28Å; A1012-R1016 WeakPolarHBondContact O-CG 3.36Å; A1012-R1016 PolarHBondContact O-NH1 3.25Å |
| 1013 | A | 87.6 | Confident | 87.9 | Confident | 49 Ų | 49 | 96 Ų | 96 | 41% | 0.405 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -72.8 | -50.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | T1009 G1010 R1011 D1015 R1016 E1017 | T1009-A1013 WeakPolarHBondContact O-CB 3.19Å; T1009-A1013 PolarHBondContact O-N 2.89Å; G1010-A1013 WeakPolarHBondContact O-CB 3.36Å; G1010-A1013 PolarHBondContact O-N 3.47Å; R1011-A1013 PolarHBondContact O-N 2.89Å; R1011-A1013 VanDerWaalsContact O-N 3.09Å; A1013-D1015 VanDerWaalsContact C-N 3.33Å; A1013-D1015 PolarHBondContact O-N 3.03Å; A1013-R1016 PolarHBondContact O-N 3.11Å; A1013-E1017 PolarHBondContact O-N 2.94Å |
| 1014 | A | 86.3 | Confident | 87.8 | Confident | 53 Ų | 53 | 95.5 Ų | 95.5 | 44% | 0.438 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.1 | -41.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | G1010 R1011 R1016 E1017 M1018 | G1010-A1014 PolarHBondContact O-N 2.67Å; G1010-A1014 VanDerWaalsContact O-N 3.1Å; R1011-A1014 PolarHBondContact O-N 2.78Å; A1014-R1016 VanDerWaalsContact C-N 3.3Å; A1014-R1016 PolarHBondContact O-N 3.16Å; A1014-E1017 PolarHBondContact O-N 3.19Å; A1014-M1018 WeakPolarHBondContact O-CB 3.45Å; A1014-M1018 PolarHBondContact O-N 2.68Å |
| 1015 | D | 85.8 | Confident | 87.7 | Confident | 102 Ų | 102 | 96.4 Ų | 96.4 | 55% | 0.545 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.2 | -40.3 | 177.6 | -58.8 | -33.4 | 0 | 0 | 0 | 111.8 | R1011 A1013 A1019 | R1011-D1015 PolarHBondContact O-N 3.15Å; R1011-D1015 VanDerWaalsContact O-OD2 3.12Å; A1013-D1015 VanDerWaalsContact C-N 3.33Å; A1013-D1015 PolarHBondContact O-N 3.03Å; D1015-A1019 WeakPolarHBondContact O-CB 3.36Å; D1015-A1019 PolarHBondContact O-N 3.45Å; D1015-A1019 VanDerWaalsContact O-N 3.08Å |
| 1016 | R | 88 | Confident | 87.5 | Confident | 167 Ų | 167 | 97.1 Ų | 97.1 | 63% | 0.63 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -72 | -37.8 | 176.6 | -69.1 | 179.8 | -164.4 | 103.3 | -9.3 | 112.3 | A1012 A1013 A1014 A1019 M1020 | A1012-R1016 VanDerWaalsContact C-NH1 3.28Å; A1012-R1016 WeakPolarHBondContact O-CG 3.36Å; A1012-R1016 PolarHBondContact O-NH1 3.25Å; A1013-R1016 PolarHBondContact O-N 3.11Å; A1014-R1016 VanDerWaalsContact C-N 3.3Å; A1014-R1016 PolarHBondContact O-N 3.16Å; R1016-A1019 PolarHBondContact O-N 2.79Å; R1016-M1020 WeakPolarHBondContact O-CB 3.47Å; R1016-M1020 WeakPolarHBondContact O-CG 3.49Å; R1016-M1020 PolarHBondContact O-N 3.34Å |
| 1017 | E | 86.2 | Confident | 87.6 | Confident | 145 Ų | 145 | 98.1 Ų | 98.1 | 68% | 0.678 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.1 | -42.3 | 178.2 | -173.2 | 158.9 | -150.5 | 0 | 0 | 111.1 | A1013 A1014 M1020 A1021 | A1013-E1017 PolarHBondContact O-N 2.94Å; A1014-E1017 PolarHBondContact O-N 3.19Å; E1017-M1020 CarbonylContact O-C 3.52Å; E1017-M1020 PolarHBondContact O-N 3.06Å; E1017-A1021 PolarHBondContact O-N 3.41Å |
| 1018 | M | 85.2 | Confident | 87.7 | Confident | 120 Ų | 120 | 100.5 Ų | 100.5 | 59% | 0.591 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.4 | -43.5 | 172.4 | -171.1 | -172.8 | -64.9 | 0 | 0 | 112.1 | A1014 M1020 A1021 K1022 | A1014-M1018 WeakPolarHBondContact O-CB 3.45Å; A1014-M1018 PolarHBondContact O-N 2.68Å; M1018-M1020 PolarHBondContact O-N 3Å; M1018-A1021 WeakPolarHBondContact O-CB 3.28Å; M1018-A1021 PolarHBondContact O-N 3.25Å; M1018-K1022 PolarHBondContact O-N 3.2Å; M1018-K1022 VanDerWaalsContact O-N 3.1Å |
| 1019 | A | 88.5 | Confident | 87.8 | Confident | 63 Ų | 63 | 99.7 Ų | 99.7 | 52% | 0.521 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.4 | -39.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D1015 R1016 A1021 L1023 | D1015-A1019 WeakPolarHBondContact O-CB 3.36Å; D1015-A1019 PolarHBondContact O-N 3.45Å; D1015-A1019 VanDerWaalsContact O-N 3.08Å; R1016-A1019 PolarHBondContact O-N 2.79Å; A1019-A1021 VanDerWaalsContact C-N 3.34Å; A1019-L1023 PolarHBondContact O-N 3.39Å |
| 1020 | M | 87.6 | Confident | 87.9 | Confident | 116 Ų | 116 | 100.9 Ų | 100.9 | 57% | 0.571 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -68.4 | -29.6 | 173.6 | -79.3 | -169.7 | 158.6 | 0 | 0 | 113.3 | R1016 E1017 M1018 R1024 | R1016-M1020 WeakPolarHBondContact O-CB 3.47Å; R1016-M1020 WeakPolarHBondContact O-CG 3.49Å; R1016-M1020 PolarHBondContact O-N 3.34Å; E1017-M1020 CarbonylContact O-C 3.52Å; E1017-M1020 PolarHBondContact O-N 3.06Å; M1018-M1020 PolarHBondContact O-N 3Å; M1020-R1024 VanDerWaalsContact C-NH1 3.29Å; M1020-R1024 WeakPolarHBondContact O-CG 3.38Å; M1020-R1024 PolarHBondContact O-N 2.81Å; M1020-R1024 PolarHBondContact O-NH1 3.28Å |
| 1021 | A | 87.4 | Confident | 88.2 | Confident | 51 Ų | 51 | 102.1 Ų | 102.1 | 42% | 0.421 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.2 | -54.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | E1017 M1018 A1019 L1023 R1024 E1025 | E1017-A1021 PolarHBondContact O-N 3.41Å; M1018-A1021 WeakPolarHBondContact O-CB 3.28Å; M1018-A1021 PolarHBondContact O-N 3.25Å; A1019-A1021 VanDerWaalsContact C-N 3.34Å; A1021-L1023 PolarHBondContact O-N 3.02Å; A1021-R1024 PolarHBondContact O-N 3.23Å; A1021-E1025 PolarHBondContact O-N 2.97Å; A1021-E1025 VanDerWaalsContact O-N 3.17Å |
| 1022 | K | 89.7 | Confident | 88.5 | Confident | 135 Ų | 135 | 98.9 Ų | 98.9 | 59% | 0.587 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -58.4 | -32.3 | 178.9 | -68.8 | -168.4 | 174.6 | -166.7 | 0 | 113.5 | M1018 M1026 | M1018-K1022 PolarHBondContact O-N 3.2Å; M1018-K1022 VanDerWaalsContact O-N 3.1Å; K1022-M1026 WeakPolarHBondContact O-CB 3.38Å; K1022-M1026 PolarHBondContact O-N 2.95Å; K1022-M1026 VanDerWaalsContact O-N 3.07Å |
| 1023 | L | 90.4 | Very high | 88.7 | Confident | 105 Ų | 105 | 102.3 Ų | 102.3 | 55% | 0.55 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.1 | -40.5 | 175.9 | -172.4 | 66.5 | 0 | 0 | 0 | 112.5 | A1019 A1021 M1026 D1027 | A1019-L1023 PolarHBondContact O-N 3.39Å; A1021-L1023 PolarHBondContact O-N 3.02Å; L1023-M1026 HydrophobicContact CD1-CE 4.09Å; L1023-D1027 PolarHBondContact O-N 2.96Å; L1023-D1027 VanDerWaalsContact O-N 3.15Å |
| 1024 | R | 89.5 | Confident | 88.9 | Confident | 144 Ų | 144 | 103 Ų | 103 | 54% | 0.543 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.6 | -46 | 177.9 | -66.2 | 179 | -168.6 | 98.7 | -8.8 | 111.4 | M1020 A1021 M1026 D1027 E1028 | M1020-R1024 VanDerWaalsContact C-NH1 3.29Å; M1020-R1024 WeakPolarHBondContact O-CG 3.38Å; M1020-R1024 PolarHBondContact O-N 2.81Å; M1020-R1024 PolarHBondContact O-NH1 3.28Å; A1021-R1024 PolarHBondContact O-N 3.23Å; R1024-M1026 VanDerWaalsContact C-N 3.31Å; R1024-M1026 PolarHBondContact O-N 3.4Å; R1024-D1027 PolarHBondContact O-N 3.33Å; R1024-D1027 VanDerWaalsContact O-N 3.14Å; R1024-E1028 WeakPolarHBondContact O-CG 3.32Å; R1024-E1028 PolarHBondContact O-N 2.87Å |
| 1025 | E | 88.6 | Confident | 89.2 | Confident | 112 Ų | 112 | 104.8 Ų | 104.8 | 52% | 0.523 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -54.3 | -46 | 175.1 | -179.3 | 179.1 | -159.1 | 0 | 0 | 111.6 | A1021 D1027 E1028 L1029 | A1021-E1025 PolarHBondContact O-N 2.97Å; A1021-E1025 VanDerWaalsContact O-N 3.17Å; E1025-D1027 PolarHBondContact O-N 3.49Å; E1025-E1028 PolarHBondContact O-N 3.1Å; E1025-L1029 HydrophobicContact CG-CD1 4.23Å; E1025-L1029 WeakPolarHBondContact O-CB 3.45Å; E1025-L1029 VanDerWaalsContact O-CG 3.3Å; E1025-L1029 WeakPolarHBondContact O-CG 3.31Å; E1025-L1029 PolarHBondContact O-N 2.91Å |
| 1026 | M | 85.8 | Confident | 89.5 | Confident | 68 Ų | 68 | 104.2 Ų | 104.2 | 34% | 0.335 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.2 | -36.1 | 177.6 | -173.6 | -140.5 | 56.3 | 0 | 0 | 113.1 | K1022 L1023 R1024 R1030 | K1022-M1026 WeakPolarHBondContact O-CB 3.38Å; K1022-M1026 PolarHBondContact O-N 2.95Å; K1022-M1026 VanDerWaalsContact O-N 3.07Å; L1023-M1026 HydrophobicContact CD1-CE 4.09Å; R1024-M1026 VanDerWaalsContact C-N 3.31Å; R1024-M1026 PolarHBondContact O-N 3.4Å; M1026-R1030 WeakPolarHBondContact O-CB 3.46Å; M1026-R1030 WeakPolarHBondContact O-CD 3.37Å; M1026-R1030 WeakPolarHBondContact O-CG 3.2Å; M1026-R1030 PolarHBondContact O-N 2.68Å; M1026-R1030 VanDerWaalsContact SD-CZ 3.55Å; M1026-R1030 PolarHBondContact SD-NH2 2.82Å |
| 1027 | D | 90.6 | Very high | 89.7 | Confident | 84 Ų | 84 | 103.3 Ų | 103.3 | 45% | 0.449 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -73.2 | -34 | 175.2 | -79.9 | -23.2 | 0 | 0 | 0 | 112.6 | L1023 R1024 E1025 R1030 S1031 | L1023-D1027 PolarHBondContact O-N 2.96Å; L1023-D1027 VanDerWaalsContact O-N 3.15Å; R1024-D1027 PolarHBondContact O-N 3.33Å; R1024-D1027 VanDerWaalsContact O-N 3.14Å; E1025-D1027 PolarHBondContact O-N 3.49Å; D1027-R1030 PolarHBondContact O-N 3.12Å; D1027-R1030 IonicContact OD1-NH1 2.62Å; D1027-S1031 PolarHBondContact O-N 2.87Å; D1027-S1031 VanDerWaalsContact O-N 3.07Å |
| 1028 | E | 90.5 | Very high | 90 | Very high | 131 Ų | 131 | 102.2 Ų | 102.2 | 61% | 0.612 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.1 | -50.2 | 171.8 | -74.2 | 173 | -160.5 | 0 | 0 | 110.8 | R1024 E1025 R1030 S1031 E1032 | R1024-E1028 WeakPolarHBondContact O-CG 3.32Å; R1024-E1028 PolarHBondContact O-N 2.87Å; E1025-E1028 PolarHBondContact O-N 3.1Å; E1028-R1030 VanDerWaalsContact C-N 3.3Å; E1028-R1030 PolarHBondContact O-N 3.2Å; E1028-S1031 WeakPolarHBondContact O-CB 3.32Å; E1028-S1031 PolarHBondContact O-N 3.09Å; E1028-S1031 PolarHBondContact O-OG 3.37Å; E1028-E1032 PolarHBondContact O-N 3.03Å |
| 1029 | L | 88.6 | Confident | 90.4 | Very high | 100 Ų | 100 | 101.5 Ų | 101.5 | 52% | 0.524 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.7 | -36.8 | 175.2 | -72.2 | 169.3 | 0 | 0 | 0 | 113.1 | E1025 R1033 | E1025-L1029 HydrophobicContact CG-CD1 4.23Å; E1025-L1029 WeakPolarHBondContact O-CB 3.45Å; E1025-L1029 VanDerWaalsContact O-CG 3.3Å; E1025-L1029 WeakPolarHBondContact O-CG 3.31Å; E1025-L1029 PolarHBondContact O-N 2.91Å; L1029-R1033 VanDerWaalsContact O-CB 3.27Å; L1029-R1033 WeakPolarHBondContact O-CB 3.28Å; L1029-R1033 PolarHBondContact O-N 3.14Å |
| 1030 | R | 91.5 | Very high | 90.3 | Very high | 121 Ų | 121 | 103 Ų | 103 | 46% | 0.457 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.2 | -41.9 | 173 | -77.3 | 166.5 | 174.1 | -161.7 | -3.7 | 111.7 | M1026 D1027 E1028 D1034 | M1026-R1030 WeakPolarHBondContact O-CB 3.46Å; M1026-R1030 WeakPolarHBondContact O-CD 3.37Å; M1026-R1030 WeakPolarHBondContact O-CG 3.2Å; M1026-R1030 PolarHBondContact O-N 2.68Å; M1026-R1030 VanDerWaalsContact SD-CZ 3.55Å; M1026-R1030 PolarHBondContact SD-NH2 2.82Å; D1027-R1030 PolarHBondContact O-N 3.12Å; D1027-R1030 IonicContact OD1-NH1 2.62Å; E1028-R1030 VanDerWaalsContact C-N 3.3Å; E1028-R1030 PolarHBondContact O-N 3.2Å; R1030-D1034 PolarHBondContact O-N 3.16Å; R1030-D1034 VanDerWaalsContact O-N 3.13Å |
| 1031 | S | 92.5 | Very high | 90.5 | Very high | 68 Ų | 68 | 100.9 Ų | 100.9 | 48% | 0.476 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.7 | -41.8 | 179.8 | 80.5 | 0 | 0 | 0 | 0 | 112.4 | D1027 E1028 D1034 I1035 | D1027-S1031 PolarHBondContact O-N 2.87Å; D1027-S1031 VanDerWaalsContact O-N 3.07Å; E1028-S1031 WeakPolarHBondContact O-CB 3.32Å; E1028-S1031 PolarHBondContact O-N 3.09Å; E1028-S1031 PolarHBondContact O-OG 3.37Å; S1031-D1034 PolarHBondContact O-N 3.49Å; S1031-I1035 WeakPolarHBondContact O-CG1 3.27Å; S1031-I1035 PolarHBondContact O-N 2.66Å; S1031-I1035 VanDerWaalsContact O-N 3.15Å |
| 1032 | E | 91.8 | Very high | 90.7 | Very high | 111 Ų | 111 | 104.7 Ų | 104.7 | 52% | 0.519 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64 | -47.1 | 175.8 | -177 | 174.2 | -159.6 | 0 | 0 | 111.2 | E1028 D1034 I1035 L1036 | E1028-E1032 PolarHBondContact O-N 3.03Å; E1032-D1034 VanDerWaalsContact C-N 3.26Å; E1032-D1034 PolarHBondContact O-N 3.07Å; E1032-I1035 WeakPolarHBondContact O-CA 3.47Å; E1032-I1035 WeakPolarHBondContact O-CB 3.47Å; E1032-I1035 PolarHBondContact O-N 2.86Å; E1032-L1036 HydrophobicContact CG-CD1 4.01Å; E1032-L1036 HydrophobicContact CG-CG 4.38Å; E1032-L1036 WeakPolarHBondContact O-CG 3.49Å; E1032-L1036 PolarHBondContact O-N 2.81Å |
| 1033 | R | 90.2 | Very high | 90.7 | Very high | 104 Ų | 104 | 102.8 Ų | 102.8 | 39% | 0.392 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.9 | -34.2 | 177.3 | 177.7 | -96.3 | -78 | 156 | -1.8 | 113.1 | L1029 R1037 | L1029-R1033 VanDerWaalsContact O-CB 3.27Å; L1029-R1033 WeakPolarHBondContact O-CB 3.28Å; L1029-R1033 PolarHBondContact O-N 3.14Å; R1033-R1037 WeakPolarHBondContact O-CB 3.33Å; R1033-R1037 VanDerWaalsContact O-CG 3.28Å; R1033-R1037 WeakPolarHBondContact O-CG 3.41Å; R1033-R1037 PolarHBondContact O-N 3.5Å; R1033-R1037 VanDerWaalsContact O-N 3.1Å |
| 1034 | D | 92 | Very high | 90.7 | Very high | 63 Ų | 63 | 104.2 Ų | 104.2 | 34% | 0.337 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -86.6 | -3.9 | 176 | -72.2 | -18.4 | 0 | 0 | 0 | 114.3 | R1030 S1031 E1032 R1037 K1038 | R1030-D1034 PolarHBondContact O-N 3.16Å; R1030-D1034 VanDerWaalsContact O-N 3.13Å; S1031-D1034 PolarHBondContact O-N 3.49Å; E1032-D1034 VanDerWaalsContact C-N 3.26Å; E1032-D1034 PolarHBondContact O-N 3.07Å; D1034-R1037 IonicContact OD1-NH1 2.65Å; D1034-R1037 PolarHBondContact OD1-NH1 3.06Å; D1034-K1038 WeakPolarHBondContact O-CD 3.41Å; D1034-K1038 VanDerWaalsContact O-CE 3.29Å; D1034-K1038 WeakPolarHBondContact O-CE 3.12Å; D1034-K1038 PolarHBondContact O-NZ 2.74Å |
| 1035 | I | 93.3 | Very high | 90.8 | Very high | 90 Ų | 90 | 104.2 Ų | 104.2 | 46% | 0.462 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -85.8 | -52.9 | 162 | -68.3 | 164 | 0 | 0 | 0 | 109.1 | S1031 E1032 R1037 K1038 E1039 | S1031-I1035 WeakPolarHBondContact O-CG1 3.27Å; S1031-I1035 PolarHBondContact O-N 2.66Å; S1031-I1035 VanDerWaalsContact O-N 3.15Å; E1032-I1035 WeakPolarHBondContact O-CA 3.47Å; E1032-I1035 WeakPolarHBondContact O-CB 3.47Å; E1032-I1035 PolarHBondContact O-N 2.86Å; I1035-R1037 PolarHBondContact O-N 3.39Å; I1035-K1038 WeakPolarHBondContact O-CA 3.34Å; I1035-K1038 WeakPolarHBondContact O-CB 3.4Å; I1035-K1038 PolarHBondContact O-N 3.33Å; I1035-E1039 PolarHBondContact O-N 3.34Å; I1035-E1039 VanDerWaalsContact O-N 3.13Å |
| 1036 | L | 90.6 | Very high | 90.8 | Very high | 91 Ų | 91 | 102.1 Ų | 102.1 | 48% | 0.476 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -56 | -36.4 | 179.2 | -68.6 | 171.5 | 0 | 0 | 0 | 112.6 | E1032 K1038 E1039 L1040 | E1032-L1036 HydrophobicContact CG-CD1 4.01Å; E1032-L1036 HydrophobicContact CG-CG 4.38Å; E1032-L1036 WeakPolarHBondContact O-CG 3.49Å; E1032-L1036 PolarHBondContact O-N 2.81Å; L1036-K1038 VanDerWaalsContact C-N 3.32Å; L1036-K1038 PolarHBondContact O-N 2.97Å; L1036-E1039 PolarHBondContact O-N 3.09Å; L1036-L1040 WeakPolarHBondContact O-CB 3.2Å; L1036-L1040 PolarHBondContact O-N 3.33Å |
| 1037 | R | 92.7 | Very high | 90.9 | Very high | 147 Ų | 147 | 104 Ų | 104 | 56% | 0.555 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.2 | -35.5 | 172.8 | -82.7 | 172.6 | 166.5 | -179 | -5.7 | 113.6 | R1033 D1034 I1035 T1041 | R1033-R1037 WeakPolarHBondContact O-CB 3.33Å; R1033-R1037 VanDerWaalsContact O-CG 3.28Å; R1033-R1037 WeakPolarHBondContact O-CG 3.41Å; R1033-R1037 PolarHBondContact O-N 3.5Å; R1033-R1037 VanDerWaalsContact O-N 3.1Å; D1034-R1037 IonicContact OD1-NH1 2.65Å; D1034-R1037 PolarHBondContact OD1-NH1 3.06Å; I1035-R1037 PolarHBondContact O-N 3.39Å; R1037-T1041 PolarHBondContact O-N 3.1Å; R1037-T1041 PolarHBondContact O-OG1 3.4Å |
| 1038 | K | 93 | Very high | 90.8 | Very high | 122 Ų | 122 | 102.8 Ų | 102.8 | 53% | 0.53 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -73.6 | -47.5 | 177.9 | -66.9 | 166.5 | -173.8 | 136.1 | 0 | 110.7 | D1034 I1035 L1036 L1040 T1041 E1042 | D1034-K1038 WeakPolarHBondContact O-CD 3.41Å; D1034-K1038 VanDerWaalsContact O-CE 3.29Å; D1034-K1038 WeakPolarHBondContact O-CE 3.12Å; D1034-K1038 PolarHBondContact O-NZ 2.74Å; I1035-K1038 WeakPolarHBondContact O-CA 3.34Å; I1035-K1038 WeakPolarHBondContact O-CB 3.4Å; I1035-K1038 PolarHBondContact O-N 3.33Å; L1036-K1038 VanDerWaalsContact C-N 3.32Å; L1036-K1038 PolarHBondContact O-N 2.97Å; K1038-L1040 VanDerWaalsContact C-N 3.26Å; K1038-L1040 PolarHBondContact O-N 3.44Å; K1038-T1041 WeakPolarHBondContact CA-OG1 3.24Å; K1038-T1041 WeakPolarHBondContact O-CA 3.45Å; K1038-T1041 PolarHBondContact O-N 2.95Å; K1038-T1041 PolarHBondContact O-OG1 3.37Å; K1038-E1042 PolarHBondContact O-N 3.35Å |
| 1039 | E | 92.8 | Very high | 90.6 | Very high | 105 Ų | 105 | 98.7 Ų | 98.7 | 49% | 0.491 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -56.1 | -42.5 | 175.2 | -63.2 | -173.4 | 157.2 | 0 | 0 | 111.1 | I1035 L1036 T1041 E1042 V1043 | I1035-E1039 PolarHBondContact O-N 3.34Å; I1035-E1039 VanDerWaalsContact O-N 3.13Å; L1036-E1039 PolarHBondContact O-N 3.09Å; E1039-T1041 PolarHBondContact O-N 3.21Å; E1039-E1042 PolarHBondContact O-N 3.25Å; E1039-V1043 WeakPolarHBondContact O-CB 3.17Å; E1039-V1043 VanDerWaalsContact O-CG2 3.31Å; E1039-V1043 WeakPolarHBondContact O-CG2 3.43Å; E1039-V1043 PolarHBondContact O-N 3.48Å |
| 1040 | L | 87.8 | Confident | 90.6 | Very high | 95 Ų | 95 | 96.6 Ų | 96.6 | 50% | 0.497 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.8 | -39 | 173.8 | -178.2 | 62 | 0 | 0 | 0 | 113 | L1036 K1038 K1044 | L1036-L1040 WeakPolarHBondContact O-CB 3.2Å; L1036-L1040 PolarHBondContact O-N 3.33Å; K1038-L1040 VanDerWaalsContact C-N 3.26Å; K1038-L1040 PolarHBondContact O-N 3.44Å; L1040-K1044 HydrophobicContact CG-CD 4.48Å; L1040-K1044 WeakPolarHBondContact O-CB 3.17Å; L1040-K1044 VanDerWaalsContact O-CG 3.29Å; L1040-K1044 WeakPolarHBondContact O-CG 3.35Å; L1040-K1044 PolarHBondContact O-N 3.09Å |
| 1041 | T | 91.2 | Very high | 90.4 | Very high | 72 Ų | 72 | 94.6 Ų | 94.6 | 44% | 0.442 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -70.2 | -38 | 175.7 | 51.6 | 0 | 0 | 0 | 0 | 113 | R1037 K1038 E1039 K1044 Q1045 | R1037-T1041 PolarHBondContact O-N 3.1Å; R1037-T1041 PolarHBondContact O-OG1 3.4Å; K1038-T1041 WeakPolarHBondContact CA-OG1 3.24Å; K1038-T1041 WeakPolarHBondContact O-CA 3.45Å; K1038-T1041 PolarHBondContact O-N 2.95Å; K1038-T1041 PolarHBondContact O-OG1 3.37Å; E1039-T1041 PolarHBondContact O-N 3.21Å; T1041-K1044 PolarHBondContact O-N 3.33Å; T1041-Q1045 WeakPolarHBondContact O-CG 3.27Å; T1041-Q1045 PolarHBondContact O-N 3.03Å |
| 1042 | E | 91.7 | Very high | 90.2 | Very high | 131 Ų | 131 | 94.3 Ų | 94.3 | 61% | 0.612 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.7 | -44 | 176.6 | -69.7 | 178.1 | -161.4 | 0 | 0 | 111.2 | K1038 E1039 K1044 Q1045 A1046 | K1038-E1042 PolarHBondContact O-N 3.35Å; E1039-E1042 PolarHBondContact O-N 3.25Å; E1042-K1044 PolarHBondContact O-N 3.35Å; E1042-Q1045 PolarHBondContact O-N 2.96Å; E1042-A1046 PolarHBondContact O-N 2.97Å |
| 1043 | V | 90.1 | Very high | 90.1 | Very high | 95 Ų | 95 | 95.3 Ų | 95.3 | 58% | 0.576 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.8 | -41.6 | 174.4 | 171 | 0 | 0 | 0 | 0 | 111.5 | E1039 Q1045 A1046 L1047 | E1039-V1043 WeakPolarHBondContact O-CB 3.17Å; E1039-V1043 VanDerWaalsContact O-CG2 3.31Å; E1039-V1043 WeakPolarHBondContact O-CG2 3.43Å; E1039-V1043 PolarHBondContact O-N 3.48Å; V1043-Q1045 PolarHBondContact O-N 3.22Å; V1043-A1046 PolarHBondContact O-N 3.17Å; V1043-L1047 WeakPolarHBondContact O-CB 3.43Å; V1043-L1047 PolarHBondContact O-N 3.4Å |
| 1044 | K | 90.7 | Very high | 90 | Very high | 134 Ų | 134 | 95 Ų | 95 | 58% | 0.583 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62 | -40.7 | 175.3 | -79.3 | 179.7 | 177.5 | -172.4 | 0 | 112.4 | L1040 T1041 E1042 A1048 | L1040-K1044 HydrophobicContact CG-CD 4.48Å; L1040-K1044 WeakPolarHBondContact O-CB 3.17Å; L1040-K1044 VanDerWaalsContact O-CG 3.29Å; L1040-K1044 WeakPolarHBondContact O-CG 3.35Å; L1040-K1044 PolarHBondContact O-N 3.09Å; T1041-K1044 PolarHBondContact O-N 3.33Å; E1042-K1044 PolarHBondContact O-N 3.35Å; K1044-A1048 WeakPolarHBondContact O-CB 3.24Å; K1044-A1048 PolarHBondContact O-N 3.09Å |
| 1045 | Q | 90.2 | Very high | 89.9 | Confident | 145 Ų | 145 | 93.7 Ų | 93.7 | 68% | 0.678 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.3 | -42.6 | 176 | -71.1 | 178.5 | 18.1 | 0 | 0 | 112.2 | T1041 E1042 V1043 L1047 A1048 G1049 | T1041-Q1045 WeakPolarHBondContact O-CG 3.27Å; T1041-Q1045 PolarHBondContact O-N 3.03Å; E1042-Q1045 PolarHBondContact O-N 2.96Å; V1043-Q1045 PolarHBondContact O-N 3.22Å; Q1045-L1047 VanDerWaalsContact C-N 3.35Å; Q1045-L1047 PolarHBondContact O-N 3.37Å; Q1045-A1048 PolarHBondContact O-N 3.49Å; Q1045-G1049 PolarHBondContact O-N 3.39Å |
| 1046 | A | 90 | Very high | 89.7 | Confident | 67 Ų | 67 | 92 Ų | 92 | 55% | 0.554 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.4 | -41.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | E1042 V1043 G1049 S1050 | E1042-A1046 PolarHBondContact O-N 2.97Å; V1043-A1046 PolarHBondContact O-N 3.17Å; A1046-G1049 PolarHBondContact O-N 3.25Å; A1046-S1050 WeakPolarHBondContact O-CB 3.41Å; A1046-S1050 PolarHBondContact O-N 2.88Å |
| 1047 | L | 87.2 | Confident | 89.7 | Confident | 108 Ų | 108 | 93.1 Ų | 93.1 | 57% | 0.565 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.9 | -41 | 176.4 | -176.3 | 61.6 | 0 | 0 | 0 | 112.1 | V1043 Q1045 G1049 S1050 T1051 | V1043-L1047 WeakPolarHBondContact O-CB 3.43Å; V1043-L1047 PolarHBondContact O-N 3.4Å; Q1045-L1047 VanDerWaalsContact C-N 3.35Å; Q1045-L1047 PolarHBondContact O-N 3.37Å; L1047-G1049 VanDerWaalsContact C-N 3.35Å; L1047-G1049 PolarHBondContact O-N 3.17Å; L1047-S1050 PolarHBondContact O-N 3.12Å; L1047-T1051 HydrophobicContact CD1-CG2 4.05Å; L1047-T1051 HydrophobicContact CG-CG2 4.37Å; L1047-T1051 WeakPolarHBondContact O-CB 3.48Å; L1047-T1051 WeakPolarHBondContact O-CG2 3.39Å; L1047-T1051 PolarHBondContact O-N 2.87Å; L1047-T1051 PolarHBondContact O-OG1 3.37Å |
| 1048 | A | 88 | Confident | 89.6 | Confident | 59 Ų | 59 | 94.5 Ų | 94.5 | 49% | 0.488 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.3 | -41 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K1044 Q1045 T1051 A1052 | K1044-A1048 WeakPolarHBondContact O-CB 3.24Å; K1044-A1048 PolarHBondContact O-N 3.09Å; Q1045-A1048 PolarHBondContact O-N 3.49Å; A1048-T1051 WeakPolarHBondContact CA-OG1 3.39Å; A1048-T1051 PolarHBondContact O-OG1 3.2Å; A1048-T1051 VanDerWaalsContact O-OG1 3.14Å; A1048-A1052 WeakPolarHBondContact O-CB 3.35Å; A1048-A1052 PolarHBondContact O-N 3.21Å; A1048-A1052 VanDerWaalsContact O-N 3.17Å |
| 1049 | G | 87.7 | Confident | 89.5 | Confident | 44 Ų | 44 | 96.7 Ų | 96.7 | 45% | 0.454 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63 | -51.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q1045 A1046 L1047 T1051 A1052 E1053 | Q1045-G1049 PolarHBondContact O-N 3.39Å; A1046-G1049 PolarHBondContact O-N 3.25Å; L1047-G1049 VanDerWaalsContact C-N 3.35Å; L1047-G1049 PolarHBondContact O-N 3.17Å; G1049-T1051 PolarHBondContact O-N 2.64Å; G1049-A1052 PolarHBondContact O-N 2.78Å; G1049-E1053 PolarHBondContact O-N 3.37Å |
| 1050 | S | 87.2 | Confident | 89.5 | Confident | 57 Ų | 57 | 96.8 Ų | 96.8 | 40% | 0.399 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.3 | -41.6 | -179.5 | 178.6 | 0 | 0 | 0 | 0 | 112.9 | A1046 L1047 E1053 N1054 | A1046-S1050 WeakPolarHBondContact O-CB 3.41Å; A1046-S1050 PolarHBondContact O-N 2.88Å; L1047-S1050 PolarHBondContact O-N 3.12Å; S1050-E1053 PolarHBondContact O-N 2.96Å; S1050-N1054 WeakPolarHBondContact O-CB 3.36Å; S1050-N1054 PolarHBondContact O-N 2.84Å; S1050-N1054 PolarHBondContact O-ND2 3.29Å; S1050-N1054 PolarHBondContact OG-ND2 3.11Å |
| 1051 | T | 88.3 | Confident | 89.8 | Confident | 79 Ų | 79 | 97.2 Ų | 97.2 | 49% | 0.485 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.1 | -37.5 | 178.1 | 48 | 0 | 0 | 0 | 0 | 112.1 | L1047 A1048 G1049 A1055 | L1047-T1051 HydrophobicContact CD1-CG2 4.05Å; L1047-T1051 HydrophobicContact CG-CG2 4.37Å; L1047-T1051 WeakPolarHBondContact O-CB 3.48Å; L1047-T1051 WeakPolarHBondContact O-CG2 3.39Å; L1047-T1051 PolarHBondContact O-N 2.87Å; L1047-T1051 PolarHBondContact O-OG1 3.37Å; A1048-T1051 WeakPolarHBondContact CA-OG1 3.39Å; A1048-T1051 PolarHBondContact O-OG1 3.2Å; A1048-T1051 VanDerWaalsContact O-OG1 3.14Å; G1049-T1051 PolarHBondContact O-N 2.64Å; T1051-A1055 VanDerWaalsContact O-CB 3.26Å; T1051-A1055 WeakPolarHBondContact O-CB 3.44Å; T1051-A1055 PolarHBondContact O-N 3.36Å |
| 1052 | A | 88.5 | Confident | 89.8 | Confident | 62 Ų | 62 | 97.7 Ų | 97.7 | 51% | 0.512 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.6 | -42.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A1048 G1049 A1055 A1056 | A1048-A1052 WeakPolarHBondContact O-CB 3.35Å; A1048-A1052 PolarHBondContact O-N 3.21Å; A1048-A1052 VanDerWaalsContact O-N 3.17Å; G1049-A1052 PolarHBondContact O-N 2.78Å; A1052-A1055 PolarHBondContact O-N 2.83Å; A1052-A1056 PolarHBondContact O-N 3.18Å |
| 1053 | E | 88.7 | Confident | 89.8 | Confident | 132 Ų | 132 | 94.1 Ų | 94.1 | 62% | 0.617 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.6 | -50 | 177.2 | -173.1 | 166.2 | -146 | 0 | 0 | 111.8 | G1049 S1050 A1055 A1056 E1057 | G1049-E1053 PolarHBondContact O-N 3.37Å; S1050-E1053 PolarHBondContact O-N 2.96Å; E1053-A1055 VanDerWaalsContact C-N 3.26Å; E1053-A1055 PolarHBondContact O-N 3.44Å; E1053-A1056 WeakPolarHBondContact O-CA 3.23Å; E1053-A1056 WeakPolarHBondContact O-CB 3.47Å; E1053-A1056 PolarHBondContact O-N 2.77Å; E1053-E1057 PolarHBondContact O-N 3.31Å |
| 1054 | N | 88.6 | Confident | 90 | Very high | 96 Ų | 96 | 95.7 Ų | 95.7 | 51% | 0.513 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -57.8 | -37.3 | 174.2 | -81.8 | -81.5 | 0 | 0 | 0 | 112.4 | S1050 A1056 R1058 | S1050-N1054 WeakPolarHBondContact O-CB 3.36Å; S1050-N1054 PolarHBondContact O-N 2.84Å; S1050-N1054 PolarHBondContact O-ND2 3.29Å; S1050-N1054 PolarHBondContact OG-ND2 3.11Å; N1054-A1056 VanDerWaalsContact C-N 3.34Å; N1054-R1058 VanDerWaalsContact O-CB 3.32Å; N1054-R1058 WeakPolarHBondContact O-CB 3.35Å; N1054-R1058 PolarHBondContact O-N 3.19Å |
| 1055 | A | 88.9 | Confident | 90 | Very high | 37 Ų | 37 | 93.6 Ų | 93.6 | 31% | 0.306 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -70.8 | -27.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | T1051 A1052 E1053 R1059 | T1051-A1055 VanDerWaalsContact O-CB 3.26Å; T1051-A1055 WeakPolarHBondContact O-CB 3.44Å; T1051-A1055 PolarHBondContact O-N 3.36Å; A1052-A1055 PolarHBondContact O-N 2.83Å; E1053-A1055 VanDerWaalsContact C-N 3.26Å; E1053-A1055 PolarHBondContact O-N 3.44Å; A1055-R1059 VanDerWaalsContact C-NH1 3.28Å; A1055-R1059 VanDerWaalsContact O-CG 3.3Å; A1055-R1059 WeakPolarHBondContact O-CG 3.48Å; A1055-R1059 PolarHBondContact O-N 3.13Å; A1055-R1059 PolarHBondContact O-NH1 2.85Å |
| 1056 | A | 90.5 | Very high | 90.1 | Very high | 55 Ų | 55 | 94.1 Ų | 94.1 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -73.8 | -45.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | A1052 E1053 N1054 R1058 R1059 Q1060 | A1052-A1056 PolarHBondContact O-N 3.18Å; E1053-A1056 WeakPolarHBondContact O-CA 3.23Å; E1053-A1056 WeakPolarHBondContact O-CB 3.47Å; E1053-A1056 PolarHBondContact O-N 2.77Å; N1054-A1056 VanDerWaalsContact C-N 3.34Å; A1056-R1058 PolarHBondContact O-N 3.48Å; A1056-R1059 PolarHBondContact O-N 3.04Å; A1056-Q1060 PolarHBondContact O-N 3.3Å |
| 1057 | E | 90.6 | Very high | 90.1 | Very high | 114 Ų | 114 | 97.6 Ų | 97.6 | 53% | 0.533 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.1 | -45.5 | 175.2 | -67.8 | -150.7 | 144 | 0 | 0 | 112 | E1053 R1059 Q1060 L1061 | E1053-E1057 PolarHBondContact O-N 3.31Å; E1057-R1059 VanDerWaalsContact C-N 3.29Å; E1057-R1059 PolarHBondContact O-N 2.86Å; E1057-Q1060 PolarHBondContact O-N 3.48Å; E1057-Q1060 VanDerWaalsContact O-N 3.07Å; E1057-L1061 WeakPolarHBondContact O-CG 3.42Å; E1057-L1061 PolarHBondContact O-N 3.48Å |
| 1058 | R | 90.3 | Very high | 90.4 | Very high | 176 Ų | 176 | 95.9 Ų | 95.9 | 66% | 0.664 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58.1 | -39.8 | 177.6 | -174 | 171.7 | 177.8 | 165.3 | -1 | 112.1 | N1054 A1056 Q1062 | N1054-R1058 VanDerWaalsContact O-CB 3.32Å; N1054-R1058 WeakPolarHBondContact O-CB 3.35Å; N1054-R1058 PolarHBondContact O-N 3.19Å; A1056-R1058 PolarHBondContact O-N 3.48Å; R1058-Q1062 WeakPolarHBondContact O-CB 3.39Å; R1058-Q1062 WeakPolarHBondContact O-CG 3.27Å; R1058-Q1062 PolarHBondContact O-N 2.87Å |
| 1059 | R | 91.6 | Very high | 90.6 | Very high | 167 Ų | 167 | 97.4 Ų | 97.4 | 63% | 0.63 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.5 | -44.4 | 173.5 | -71.5 | 175.2 | -172.9 | 105 | -13.9 | 111.7 | A1055 A1056 E1057 L1061 Q1062 A1063 | A1055-R1059 VanDerWaalsContact C-NH1 3.28Å; A1055-R1059 VanDerWaalsContact O-CG 3.3Å; A1055-R1059 WeakPolarHBondContact O-CG 3.48Å; A1055-R1059 PolarHBondContact O-N 3.13Å; A1055-R1059 PolarHBondContact O-NH1 2.85Å; A1056-R1059 PolarHBondContact O-N 3.04Å; E1057-R1059 VanDerWaalsContact C-N 3.29Å; E1057-R1059 PolarHBondContact O-N 2.86Å; R1059-L1061 PolarHBondContact O-N 3.5Å; R1059-Q1062 PolarHBondContact O-N 2.93Å; R1059-A1063 PolarHBondContact O-N 3.2Å |
| 1060 | Q | 92.8 | Very high | 90.8 | Very high | 107 Ų | 107 | 98 Ų | 98 | 50% | 0.5 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64 | -40.1 | 178.1 | -168.8 | -175.4 | 89.4 | 0 | 0 | 112.3 | A1056 E1057 A1063 R1064 | A1056-Q1060 PolarHBondContact O-N 3.3Å; E1057-Q1060 PolarHBondContact O-N 3.48Å; E1057-Q1060 VanDerWaalsContact O-N 3.07Å; Q1060-A1063 PolarHBondContact O-N 2.87Å; Q1060-R1064 PolarHBondContact O-N 2.93Å; Q1060-R1064 VanDerWaalsContact O-N 3.09Å; Q1060-R1064 VanDerWaalsContact OE1-CZ 3.24Å; Q1060-R1064 VanDerWaalsContact OE1-NH2 3.09Å |
| 1061 | L | 93 | Very high | 91.1 | Very high | 104 Ų | 104 | 101.6 Ų | 101.6 | 55% | 0.545 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.9 | -40.5 | 176.5 | -69.3 | 173.3 | 0 | 0 | 0 | 111.9 | E1057 R1059 A1063 R1064 L1065 | E1057-L1061 WeakPolarHBondContact O-CG 3.42Å; E1057-L1061 PolarHBondContact O-N 3.48Å; R1059-L1061 PolarHBondContact O-N 3.5Å; L1061-A1063 VanDerWaalsContact C-N 3.33Å; L1061-A1063 PolarHBondContact O-N 3.25Å; L1061-R1064 PolarHBondContact O-N 3.44Å; L1061-L1065 WeakPolarHBondContact O-CB 3.37Å; L1061-L1065 PolarHBondContact O-N 3.47Å |
| 1062 | Q | 92 | Very high | 91.4 | Very high | 83 Ų | 83 | 101.7 Ų | 101.7 | 39% | 0.388 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66 | -31.2 | 173.2 | -77.6 | -175.4 | -6.9 | 0 | 0 | 113.4 | R1058 R1059 R1066 | R1058-Q1062 WeakPolarHBondContact O-CB 3.39Å; R1058-Q1062 WeakPolarHBondContact O-CG 3.27Å; R1058-Q1062 PolarHBondContact O-N 2.87Å; R1059-Q1062 PolarHBondContact O-N 2.93Å; Q1062-R1066 WeakPolarHBondContact O-CG 3.4Å; Q1062-R1066 PolarHBondContact O-N 2.87Å; Q1062-R1066 PolarHBondContact O-NH1 3.27Å |
| 1063 | A | 91.9 | Very high | 91.5 | Very high | 56 Ų | 56 | 105.3 Ų | 105.3 | 46% | 0.463 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.5 | -48.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | R1059 Q1060 L1061 L1065 R1066 E1067 | R1059-A1063 PolarHBondContact O-N 3.2Å; Q1060-A1063 PolarHBondContact O-N 2.87Å; L1061-A1063 VanDerWaalsContact C-N 3.33Å; L1061-A1063 PolarHBondContact O-N 3.25Å; A1063-L1065 VanDerWaalsContact C-N 3.31Å; A1063-L1065 PolarHBondContact O-N 3.41Å; A1063-R1066 PolarHBondContact O-N 2.66Å; A1063-E1067 PolarHBondContact O-N 3.43Å |
| 1064 | R | 92.7 | Very high | 91.8 | Very high | 127 Ų | 127 | 101.5 Ų | 101.5 | 48% | 0.479 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.3 | -36.1 | 175.3 | -73.3 | -175.4 | -179.7 | 122.5 | 6.8 | 113 | Q1060 L1061 E1067 T1068 | Q1060-R1064 PolarHBondContact O-N 2.93Å; Q1060-R1064 VanDerWaalsContact O-N 3.09Å; Q1060-R1064 VanDerWaalsContact OE1-CZ 3.24Å; Q1060-R1064 VanDerWaalsContact OE1-NH2 3.09Å; L1061-R1064 PolarHBondContact O-N 3.44Å; R1064-E1067 PolarHBondContact O-N 2.97Å; R1064-T1068 WeakPolarHBondContact O-CG2 3.46Å; R1064-T1068 PolarHBondContact O-N 3Å; R1064-T1068 PolarHBondContact O-OG1 3.35Å |
| 1065 | L | 90.8 | Very high | 92 | Very high | 91 Ų | 91 | 103.7 Ų | 103.7 | 48% | 0.476 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.1 | -54.4 | 176.7 | -177.6 | 62.6 | 0 | 0 | 0 | 110.5 | L1061 A1063 E1067 T1068 E1069 | L1061-L1065 WeakPolarHBondContact O-CB 3.37Å; L1061-L1065 PolarHBondContact O-N 3.47Å; A1063-L1065 VanDerWaalsContact C-N 3.31Å; A1063-L1065 PolarHBondContact O-N 3.41Å; L1065-E1067 VanDerWaalsContact C-N 3.3Å; L1065-E1067 PolarHBondContact O-N 2.85Å; L1065-T1068 CarbonylContact O-C 3.36Å; L1065-T1068 PolarHBondContact O-N 2.97Å; L1065-T1068 PolarHBondContact O-OG1 2.93Å; L1065-E1069 HydrophobicContact CD1-CG 4.38Å; L1065-E1069 HydrophobicContact CG-CG 4.45Å; L1065-E1069 WeakPolarHBondContact CG-OE1 3.48Å; L1065-E1069 WeakPolarHBondContact O-CG 3.35Å; L1065-E1069 PolarHBondContact O-N 2.92Å |
| 1066 | R | 92.3 | Very high | 92.1 | Very high | 155 Ų | 155 | 106.2 Ų | 106.2 | 59% | 0.585 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -57.4 | -39.7 | 177.5 | -69.5 | -179.3 | -178.7 | 100 | -7.9 | 113 | Q1062 A1063 E1069 A1070 | Q1062-R1066 WeakPolarHBondContact O-CG 3.4Å; Q1062-R1066 PolarHBondContact O-N 2.87Å; Q1062-R1066 PolarHBondContact O-NH1 3.27Å; A1063-R1066 PolarHBondContact O-N 2.66Å; R1066-E1069 PolarHBondContact O-N 3.05Å; R1066-A1070 WeakPolarHBondContact O-CB 3.36Å; R1066-A1070 PolarHBondContact O-N 3.2Å |
| 1067 | E | 91.3 | Very high | 92.2 | Very high | 140 Ų | 140 | 107 Ų | 107 | 65% | 0.654 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60 | -44.8 | 174.4 | -175.3 | -177.9 | -165.4 | 0 | 0 | 111.7 | A1063 R1064 L1065 H1071 | A1063-E1067 PolarHBondContact O-N 3.43Å; R1064-E1067 PolarHBondContact O-N 2.97Å; L1065-E1067 VanDerWaalsContact C-N 3.3Å; L1065-E1067 PolarHBondContact O-N 2.85Å; E1067-H1071 PolarHBondContact O-N 3.29Å; E1067-H1071 VanDerWaalsContact O-N 3.13Å |
| 1068 | T | 93.2 | Very high | 92.3 | Very high | 73 Ų | 73 | 106.9 Ų | 106.9 | 45% | 0.448 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -71.6 | -31.2 | 176.2 | 60.6 | 0 | 0 | 0 | 0 | 113.6 | R1064 L1065 N1072 | R1064-T1068 WeakPolarHBondContact O-CG2 3.46Å; R1064-T1068 PolarHBondContact O-N 3Å; R1064-T1068 PolarHBondContact O-OG1 3.35Å; L1065-T1068 CarbonylContact O-C 3.36Å; L1065-T1068 PolarHBondContact O-N 2.97Å; L1065-T1068 PolarHBondContact O-OG1 2.93Å; T1068-N1072 PolarHBondContact O-N 3.07Å; T1068-N1072 VanDerWaalsContact O-N 3.09Å; T1068-N1072 PolarHBondContact O-ND2 3.44Å |
| 1069 | E | 91.9 | Very high | 92.5 | Very high | 91 Ų | 91 | 102.6 Ų | 102.6 | 43% | 0.425 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.8 | -51 | 176 | -72.7 | 165.9 | 157.5 | 0 | 0 | 110.4 | L1065 R1066 H1071 N1072 E1073 | L1065-E1069 HydrophobicContact CD1-CG 4.38Å; L1065-E1069 HydrophobicContact CG-CG 4.45Å; L1065-E1069 WeakPolarHBondContact CG-OE1 3.48Å; L1065-E1069 WeakPolarHBondContact O-CG 3.35Å; L1065-E1069 PolarHBondContact O-N 2.92Å; R1066-E1069 PolarHBondContact O-N 3.05Å; E1069-H1071 VanDerWaalsContact C-N 3.31Å; E1069-H1071 PolarHBondContact O-N 3Å; E1069-N1072 WeakPolarHBondContact O-CA 3.45Å; E1069-N1072 PolarHBondContact O-N 3.45Å; E1069-E1073 PolarHBondContact O-N 2.9Å |
| 1070 | A | 92.6 | Very high | 92.6 | Very high | 55 Ų | 55 | 101.2 Ų | 101.2 | 46% | 0.455 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -57.8 | -39.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | R1066 E1073 A1074 | R1066-A1070 WeakPolarHBondContact O-CB 3.36Å; R1066-A1070 PolarHBondContact O-N 3.2Å; A1070-E1073 PolarHBondContact O-N 3.35Å; A1070-A1074 WeakPolarHBondContact O-CB 3.41Å; A1070-A1074 PolarHBondContact O-N 2.82Å |
| 1071 | H | 93.8 | Very high | 92.6 | Very high | 133 Ų | 133 | 99.1 Ų | 99.1 | 62% | 0.616 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.8 | -41.3 | 173.4 | -177 | -5 | 0 | 0 | 0 | 112 | E1067 E1069 R1075 | E1067-H1071 PolarHBondContact O-N 3.29Å; E1067-H1071 VanDerWaalsContact O-N 3.13Å; E1069-H1071 VanDerWaalsContact C-N 3.31Å; E1069-H1071 PolarHBondContact O-N 3Å; H1071-R1075 WeakPolarHBondContact O-CB 3.19Å; H1071-R1075 PolarHBondContact O-N 2.8Å; H1071-R1075 VanDerWaalsContact O-N 3.12Å |
| 1072 | N | 92.9 | Very high | 92.7 | Very high | 81 Ų | 81 | 98.5 Ų | 98.5 | 43% | 0.433 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.7 | -39.2 | 177.9 | -77.4 | -56.4 | 0 | 0 | 0 | 112 | T1068 E1069 R1075 I1076 | T1068-N1072 PolarHBondContact O-N 3.07Å; T1068-N1072 VanDerWaalsContact O-N 3.09Å; T1068-N1072 PolarHBondContact O-ND2 3.44Å; E1069-N1072 WeakPolarHBondContact O-CA 3.45Å; E1069-N1072 PolarHBondContact O-N 3.45Å; N1072-R1075 PolarHBondContact O-N 3.31Å; N1072-I1076 WeakPolarHBondContact O-CB 3.5Å; N1072-I1076 WeakPolarHBondContact O-CD1 3.37Å; N1072-I1076 VanDerWaalsContact O-CG1 3.25Å; N1072-I1076 WeakPolarHBondContact O-CG1 3.33Å; N1072-I1076 PolarHBondContact O-N 3.38Å |
| 1073 | E | 92.2 | Very high | 92.6 | Very high | 139 Ų | 139 | 99.3 Ų | 99.3 | 65% | 0.65 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.7 | -47.6 | 175.1 | -71.2 | -173.4 | 159.5 | 0 | 0 | 112.3 | E1069 A1070 R1075 I1076 S1077 | E1069-E1073 PolarHBondContact O-N 2.9Å; A1070-E1073 PolarHBondContact O-N 3.35Å; E1073-R1075 VanDerWaalsContact C-N 3.33Å; E1073-R1075 PolarHBondContact O-N 2.77Å; E1073-I1076 WeakPolarHBondContact O-CB 3.43Å; E1073-I1076 PolarHBondContact O-N 2.79Å; E1073-I1076 VanDerWaalsContact O-N 3.09Å; E1073-S1077 PolarHBondContact O-N 3.31Å |
| 1074 | A | 93.3 | Very high | 92.6 | Very high | 51 Ų | 51 | 100.8 Ų | 100.8 | 42% | 0.421 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -55.2 | -48.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | A1070 I1076 S1077 D1078 | A1070-A1074 WeakPolarHBondContact O-CB 3.41Å; A1070-A1074 PolarHBondContact O-N 2.82Å; A1074-I1076 VanDerWaalsContact C-N 3.3Å; A1074-I1076 PolarHBondContact O-N 2.8Å; A1074-S1077 WeakPolarHBondContact O-CA 3.36Å; A1074-S1077 VanDerWaalsContact O-CB 3.22Å; A1074-S1077 WeakPolarHBondContact O-CB 3.47Å; A1074-S1077 PolarHBondContact O-N 3.21Å; A1074-D1078 PolarHBondContact O-N 3.34Å |
| 1075 | R | 92.9 | Very high | 92.6 | Very high | 142 Ų | 142 | 100.4 Ų | 100.4 | 54% | 0.536 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.7 | -31.4 | 177 | 178.7 | 178.3 | 166.1 | -157.2 | -5.8 | 113.5 | H1071 N1072 E1073 I1079 | H1071-R1075 WeakPolarHBondContact O-CB 3.19Å; H1071-R1075 PolarHBondContact O-N 2.8Å; H1071-R1075 VanDerWaalsContact O-N 3.12Å; N1072-R1075 PolarHBondContact O-N 3.31Å; E1073-R1075 VanDerWaalsContact C-N 3.33Å; E1073-R1075 PolarHBondContact O-N 2.77Å; R1075-I1079 HydrophobicContact CG-CD1 4.17Å; R1075-I1079 WeakPolarHBondContact O-CD1 3.38Å; R1075-I1079 VanDerWaalsContact O-CG1 3.26Å; R1075-I1079 WeakPolarHBondContact O-CG1 3.47Å; R1075-I1079 PolarHBondContact O-N 2.85Å |
| 1076 | I | 91.8 | Very high | 92.8 | Very high | 90 Ų | 90 | 99.3 Ų | 99.3 | 46% | 0.462 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -70.4 | -36.9 | 172.5 | -73.7 | 164 | 0 | 0 | 0 | 110.3 | N1072 E1073 A1074 I1079 K1080 | N1072-I1076 WeakPolarHBondContact O-CB 3.5Å; N1072-I1076 WeakPolarHBondContact O-CD1 3.37Å; N1072-I1076 VanDerWaalsContact O-CG1 3.25Å; N1072-I1076 WeakPolarHBondContact O-CG1 3.33Å; N1072-I1076 PolarHBondContact O-N 3.38Å; E1073-I1076 WeakPolarHBondContact O-CB 3.43Å; E1073-I1076 PolarHBondContact O-N 2.79Å; E1073-I1076 VanDerWaalsContact O-N 3.09Å; A1074-I1076 VanDerWaalsContact C-N 3.3Å; A1074-I1076 PolarHBondContact O-N 2.8Å; I1076-I1079 PolarHBondContact O-N 3.33Å; I1076-K1080 HydrophobicContact CG2-CD 4.24Å; I1076-K1080 VanDerWaalsContact O-CG 3.32Å; I1076-K1080 WeakPolarHBondContact O-CG 3.46Å; I1076-K1080 PolarHBondContact O-N 3.36Å |
| 1077 | S | 92.4 | Very high | 92.8 | Very high | 72 Ų | 72 | 99.3 Ų | 99.3 | 50% | 0.503 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63 | -48.4 | 174.1 | -158.9 | 0 | 0 | 0 | 0 | 111.4 | E1073 A1074 I1079 K1080 A1081 | E1073-S1077 PolarHBondContact O-N 3.31Å; A1074-S1077 WeakPolarHBondContact O-CA 3.36Å; A1074-S1077 VanDerWaalsContact O-CB 3.22Å; A1074-S1077 WeakPolarHBondContact O-CB 3.47Å; A1074-S1077 PolarHBondContact O-N 3.21Å; S1077-I1079 VanDerWaalsContact C-N 3.3Å; S1077-I1079 PolarHBondContact O-N 3.38Å; S1077-K1080 WeakPolarHBondContact O-CB 3.28Å; S1077-K1080 PolarHBondContact O-N 2.68Å; S1077-A1081 PolarHBondContact O-N 2.77Å |
| 1078 | D | 93.2 | Very high | 92.9 | Very high | 111 Ų | 111 | 97.7 Ų | 97.7 | 59% | 0.594 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -55.5 | -45.1 | 176.6 | -63 | -29.4 | 0 | 0 | 0 | 111.8 | A1074 A1081 E1082 | A1074-D1078 PolarHBondContact O-N 3.34Å; D1078-A1081 PolarHBondContact O-N 2.81Å; D1078-E1082 PolarHBondContact O-N 2.94Å |
| 1079 | I | 93.5 | Very high | 92.9 | Very high | 87 Ų | 87 | 98.3 Ų | 98.3 | 45% | 0.446 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.3 | -35.5 | 178.8 | -69.3 | 167.7 | 0 | 0 | 0 | 111.5 | R1075 I1076 S1077 L1083 | R1075-I1079 HydrophobicContact CG-CD1 4.17Å; R1075-I1079 WeakPolarHBondContact O-CD1 3.38Å; R1075-I1079 VanDerWaalsContact O-CG1 3.26Å; R1075-I1079 WeakPolarHBondContact O-CG1 3.47Å; R1075-I1079 PolarHBondContact O-N 2.85Å; I1076-I1079 PolarHBondContact O-N 3.33Å; S1077-I1079 VanDerWaalsContact C-N 3.3Å; S1077-I1079 PolarHBondContact O-N 3.38Å; I1079-L1083 HydrophobicContact CG2-CD1 4.08Å; I1079-L1083 WeakPolarHBondContact O-CB 3.48Å; I1079-L1083 VanDerWaalsContact O-CG 3.24Å; I1079-L1083 WeakPolarHBondContact O-CG 3.42Å; I1079-L1083 PolarHBondContact O-N 3.12Å |
| 1080 | K | 93.8 | Very high | 92.9 | Very high | 137 Ų | 137 | 99.3 Ų | 99.3 | 60% | 0.596 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.1 | -44.5 | 173.2 | -75.2 | 169.9 | 178.5 | 177.2 | 0 | 111.5 | I1076 S1077 L1083 E1084 | I1076-K1080 HydrophobicContact CG2-CD 4.24Å; I1076-K1080 VanDerWaalsContact O-CG 3.32Å; I1076-K1080 WeakPolarHBondContact O-CG 3.46Å; I1076-K1080 PolarHBondContact O-N 3.36Å; S1077-K1080 WeakPolarHBondContact O-CB 3.28Å; S1077-K1080 PolarHBondContact O-N 2.68Å; K1080-L1083 PolarHBondContact O-N 3.39Å; K1080-E1084 PolarHBondContact O-N 3.18Å |
| 1081 | A | 93.7 | Very high | 92.8 | Very high | 64 Ų | 64 | 103.1 Ų | 103.1 | 53% | 0.529 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.8 | -43 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S1077 D1078 E1084 R1085 | S1077-A1081 PolarHBondContact O-N 2.77Å; D1078-A1081 PolarHBondContact O-N 2.81Å; A1081-E1084 PolarHBondContact O-N 3.44Å; A1081-R1085 PolarHBondContact O-N 3.24Å |
| 1082 | E | 94.1 | Very high | 92.8 | Very high | 90 Ų | 90 | 102.7 Ų | 102.7 | 42% | 0.421 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.6 | -38.9 | 174.2 | 178.9 | 64.4 | -152.3 | 0 | 0 | 111.9 | D1078 R1085 V1086 | D1078-E1082 PolarHBondContact O-N 2.94Å; E1082-R1085 IonicContact OE1-CZ 2.75Å; E1082-R1085 IonicContact OE1-NH2 3.76Å; E1082-R1085 PolarHBondContact OE1-NH2 2.72Å; E1082-R1085 IonicContact OE2-CZ 3.62Å; E1082-R1085 IonicContact OE2-NH1 3.19Å; E1082-R1085 PolarHBondContact OE2-NH1 2.95Å; E1082-R1085 IonicContact OE2-NH2 2.89Å; E1082-R1085 PolarHBondContact OE2-NH2 3.06Å; E1082-V1086 VanDerWaalsContact O-CG2 3.31Å; E1082-V1086 WeakPolarHBondContact O-CG2 3.09Å; E1082-V1086 PolarHBondContact O-N 3.39Å; E1082-V1086 VanDerWaalsContact O-N 3.07Å |
| 1083 | L | 91.4 | Very high | 92.8 | Very high | 100 Ų | 100 | 104 Ų | 104 | 52% | 0.524 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.7 | -36.7 | 174.3 | -78.9 | 170.4 | 0 | 0 | 0 | 113 | I1079 K1080 R1087 | I1079-L1083 HydrophobicContact CG2-CD1 4.08Å; I1079-L1083 WeakPolarHBondContact O-CB 3.48Å; I1079-L1083 VanDerWaalsContact O-CG 3.24Å; I1079-L1083 WeakPolarHBondContact O-CG 3.42Å; I1079-L1083 PolarHBondContact O-N 3.12Å; K1080-L1083 PolarHBondContact O-N 3.39Å; L1083-R1087 WeakPolarHBondContact O-CG 3.38Å; L1083-R1087 PolarHBondContact O-N 2.63Å; L1083-R1087 VanDerWaalsContact O-N 3.13Å |
| 1084 | E | 91.6 | Very high | 92.8 | Very high | 88 Ų | 88 | 102.6 Ų | 102.6 | 41% | 0.411 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -73.2 | -40.8 | 177.9 | -149.3 | 61.9 | -153.4 | 0 | 0 | 111.6 | K1080 A1081 V1086 R1087 E1088 | K1080-E1084 PolarHBondContact O-N 3.18Å; A1081-E1084 PolarHBondContact O-N 3.44Å; E1084-V1086 VanDerWaalsContact C-N 3.28Å; E1084-V1086 PolarHBondContact O-N 3.21Å; E1084-R1087 WeakPolarHBondContact O-CA 3.31Å; E1084-R1087 WeakPolarHBondContact O-CB 3.29Å; E1084-R1087 PolarHBondContact O-N 3.48Å; E1084-R1087 IonicContact OE1-NH1 2.78Å; E1084-R1087 PolarHBondContact OE1-NH1 2.86Å; E1084-R1087 WeakPolarHBondContact OE2-CD 3.26Å; E1084-R1087 IonicContact OE2-CZ 3.26Å; E1084-R1087 IonicContact OE2-NE 3.53Å; E1084-R1087 IonicContact OE2-NH1 3.12Å; E1084-R1087 PolarHBondContact OE2-NH1 3.37Å; E1084-E1088 PolarHBondContact O-N 2.84Å |
| 1085 | R | 93 | Very high | 92.8 | Very high | 119 Ų | 119 | 103.9 Ų | 103.9 | 45% | 0.449 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57 | -42.7 | 171.1 | -166.4 | -172.8 | 78.6 | -134.3 | -13 | 111.8 | A1081 E1082 R1087 E1088 E1089 | A1081-R1085 PolarHBondContact O-N 3.24Å; E1082-R1085 IonicContact OE1-CZ 2.75Å; E1082-R1085 IonicContact OE1-NH2 3.76Å; E1082-R1085 PolarHBondContact OE1-NH2 2.72Å; E1082-R1085 IonicContact OE2-CZ 3.62Å; E1082-R1085 IonicContact OE2-NH1 3.19Å; E1082-R1085 PolarHBondContact OE2-NH1 2.95Å; E1082-R1085 IonicContact OE2-NH2 2.89Å; E1082-R1085 PolarHBondContact OE2-NH2 3.06Å; R1085-R1087 VanDerWaalsContact C-N 3.25Å; R1085-R1087 PolarHBondContact O-N 2.85Å; R1085-E1088 PolarHBondContact O-N 3.16Å; R1085-E1089 IonicContact CZ-OE1 3.78Å; R1085-E1089 IonicContact NE-OE1 3.62Å; R1085-E1089 PolarHBondContact NE-OE1 3.09Å; R1085-E1089 IonicContact NH2-OE1 2.66Å; R1085-E1089 WeakPolarHBondContact O-CB 3.03Å; R1085-E1089 WeakPolarHBondContact O-CG 3.37Å; R1085-E1089 PolarHBondContact O-N 2.9Å |
| 1086 | V | 93.1 | Very high | 92.6 | Very high | 67 Ų | 67 | 102.9 Ų | 102.9 | 41% | 0.406 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.5 | -24.3 | 177.5 | 170.7 | 0 | 0 | 0 | 0 | 112.5 | E1082 E1084 L1090 | E1082-V1086 VanDerWaalsContact O-CG2 3.31Å; E1082-V1086 WeakPolarHBondContact O-CG2 3.09Å; E1082-V1086 PolarHBondContact O-N 3.39Å; E1082-V1086 VanDerWaalsContact O-N 3.07Å; E1084-V1086 VanDerWaalsContact C-N 3.28Å; E1084-V1086 PolarHBondContact O-N 3.21Å; V1086-L1090 WeakPolarHBondContact O-CB 3.12Å; V1086-L1090 PolarHBondContact O-N 3.02Å |
| 1087 | R | 93.2 | Very high | 92.6 | Very high | 155 Ų | 155 | 103.1 Ų | 103.1 | 59% | 0.585 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -74.6 | -46 | 170 | -72.5 | 160.7 | 162.9 | -163.3 | -6.6 | 111.6 | L1083 E1084 R1085 E1089 L1090 E1091 | L1083-R1087 WeakPolarHBondContact O-CG 3.38Å; L1083-R1087 PolarHBondContact O-N 2.63Å; L1083-R1087 VanDerWaalsContact O-N 3.13Å; E1084-R1087 WeakPolarHBondContact O-CA 3.31Å; E1084-R1087 WeakPolarHBondContact O-CB 3.29Å; E1084-R1087 PolarHBondContact O-N 3.48Å; E1084-R1087 IonicContact OE1-NH1 2.78Å; E1084-R1087 PolarHBondContact OE1-NH1 2.86Å; E1084-R1087 WeakPolarHBondContact OE2-CD 3.26Å; E1084-R1087 IonicContact OE2-CZ 3.26Å; E1084-R1087 IonicContact OE2-NE 3.53Å; E1084-R1087 IonicContact OE2-NH1 3.12Å; E1084-R1087 PolarHBondContact OE2-NH1 3.37Å; R1085-R1087 VanDerWaalsContact C-N 3.25Å; R1085-R1087 PolarHBondContact O-N 2.85Å; R1087-E1089 VanDerWaalsContact C-N 3.34Å; R1087-E1089 PolarHBondContact O-N 3.49Å; R1087-L1090 PolarHBondContact O-N 3.09Å; R1087-L1090 VanDerWaalsContact O-N 3.11Å; R1087-E1091 PolarHBondContact O-N 2.98Å |
| 1088 | E | 92.5 | Very high | 92.6 | Very high | 106 Ų | 106 | 105.3 Ų | 105.3 | 50% | 0.495 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.2 | -45.4 | 174.9 | -68 | 177.6 | 175.9 | 0 | 0 | 111.4 | E1084 R1085 L1090 E1091 Q1092 | E1084-E1088 PolarHBondContact O-N 2.84Å; R1085-E1088 PolarHBondContact O-N 3.16Å; E1088-L1090 VanDerWaalsContact C-N 3.3Å; E1088-L1090 PolarHBondContact O-N 2.91Å; E1088-E1091 PolarHBondContact O-N 3.46Å; E1088-Q1092 WeakPolarHBondContact O-CB 3.44Å; E1088-Q1092 VanDerWaalsContact O-CG 3.23Å; E1088-Q1092 WeakPolarHBondContact O-CG 3.37Å; E1088-Q1092 PolarHBondContact O-N 3.3Å |
| 1089 | E | 93.1 | Very high | 92.5 | Very high | 87 Ų | 87 | 104 Ų | 104 | 41% | 0.407 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.8 | -40.1 | 174.2 | -74.6 | 175.8 | -149.5 | 0 | 0 | 111.8 | R1085 R1087 L1093 | R1085-E1089 IonicContact CZ-OE1 3.78Å; R1085-E1089 IonicContact NE-OE1 3.62Å; R1085-E1089 PolarHBondContact NE-OE1 3.09Å; R1085-E1089 IonicContact NH2-OE1 2.66Å; R1085-E1089 WeakPolarHBondContact O-CB 3.03Å; R1085-E1089 WeakPolarHBondContact O-CG 3.37Å; R1085-E1089 PolarHBondContact O-N 2.9Å; R1087-E1089 VanDerWaalsContact C-N 3.34Å; R1087-E1089 PolarHBondContact O-N 3.49Å; E1089-L1093 WeakPolarHBondContact O-CB 3.4Å; E1089-L1093 VanDerWaalsContact O-CG 3.25Å; E1089-L1093 WeakPolarHBondContact O-CG 3.38Å; E1089-L1093 PolarHBondContact O-N 3.5Å |
| 1090 | L | 91.9 | Very high | 92.3 | Very high | 112 Ų | 112 | 103.3 Ų | 103.3 | 59% | 0.586 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -71.6 | -39.4 | 178.9 | -173 | 150 | 0 | 0 | 0 | 112.4 | V1086 R1087 E1088 L1093 Q1094 | V1086-L1090 WeakPolarHBondContact O-CB 3.12Å; V1086-L1090 PolarHBondContact O-N 3.02Å; R1087-L1090 PolarHBondContact O-N 3.09Å; R1087-L1090 VanDerWaalsContact O-N 3.11Å; E1088-L1090 VanDerWaalsContact C-N 3.3Å; E1088-L1090 PolarHBondContact O-N 2.91Å; L1090-L1093 PolarHBondContact O-N 3.09Å; L1090-Q1094 WeakPolarHBondContact O-CB 3.48Å; L1090-Q1094 PolarHBondContact O-N 2.98Å |
| 1091 | E | 92.1 | Very high | 92.2 | Very high | 135 Ų | 135 | 102 Ų | 102 | 63% | 0.631 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.6 | -43 | 175.6 | -176 | 165.1 | -153.6 | 0 | 0 | 111.4 | R1087 E1088 L1093 Q1094 V1095 | R1087-E1091 PolarHBondContact O-N 2.98Å; E1088-E1091 PolarHBondContact O-N 3.46Å; E1091-L1093 PolarHBondContact O-N 3.16Å; E1091-Q1094 WeakPolarHBondContact O-CB 3.5Å; E1091-Q1094 PolarHBondContact O-N 3.38Å; E1091-Q1094 VanDerWaalsContact O-N 3.1Å; E1091-V1095 WeakPolarHBondContact O-CG2 3.47Å; E1091-V1095 PolarHBondContact O-N 3Å |
| 1092 | Q | 92.6 | Very high | 92 | Very high | 124 Ų | 124 | 101.3 Ų | 101.3 | 58% | 0.579 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -57.3 | -48.6 | 172.7 | -73.1 | 172 | 38.5 | 0 | 0 | 111.3 | E1088 Q1094 V1095 E1096 | E1088-Q1092 WeakPolarHBondContact O-CB 3.44Å; E1088-Q1092 VanDerWaalsContact O-CG 3.23Å; E1088-Q1092 WeakPolarHBondContact O-CG 3.37Å; E1088-Q1092 PolarHBondContact O-N 3.3Å; Q1092-Q1094 VanDerWaalsContact C-N 3.27Å; Q1092-Q1094 PolarHBondContact O-N 2.99Å; Q1092-V1095 PolarHBondContact O-N 3.39Å; Q1092-V1095 VanDerWaalsContact O-N 3.16Å; Q1092-E1096 PolarHBondContact O-N 3.23Å |
| 1093 | L | 92.9 | Very high | 91.9 | Very high | 109 Ų | 109 | 99.5 Ų | 99.5 | 57% | 0.571 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.9 | -30.6 | 175.7 | -73.6 | 169.8 | 0 | 0 | 0 | 113 | E1089 L1090 E1091 L1097 | E1089-L1093 WeakPolarHBondContact O-CB 3.4Å; E1089-L1093 VanDerWaalsContact O-CG 3.25Å; E1089-L1093 WeakPolarHBondContact O-CG 3.38Å; E1089-L1093 PolarHBondContact O-N 3.5Å; L1090-L1093 PolarHBondContact O-N 3.09Å; E1091-L1093 PolarHBondContact O-N 3.16Å; L1093-L1097 WeakPolarHBondContact O-CB 3.26Å; L1093-L1097 PolarHBondContact O-N 3.41Å |
| 1094 | Q | 91.7 | Very high | 91.7 | Very high | 109 Ų | 109 | 99.1 Ų | 99.1 | 51% | 0.509 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -71.3 | -37.7 | 174.4 | -172.9 | 170.1 | -53.7 | 0 | 0 | 111.9 | L1090 E1091 Q1092 L1097 Q1098 | L1090-Q1094 WeakPolarHBondContact O-CB 3.48Å; L1090-Q1094 PolarHBondContact O-N 2.98Å; E1091-Q1094 WeakPolarHBondContact O-CB 3.5Å; E1091-Q1094 PolarHBondContact O-N 3.38Å; E1091-Q1094 VanDerWaalsContact O-N 3.1Å; Q1092-Q1094 VanDerWaalsContact C-N 3.27Å; Q1092-Q1094 PolarHBondContact O-N 2.99Å; Q1094-L1097 PolarHBondContact O-N 3.46Å; Q1094-Q1098 WeakPolarHBondContact O-CG 3.47Å; Q1094-Q1098 PolarHBondContact O-N 3.13Å |
| 1095 | V | 93.3 | Very high | 91.6 | Very high | 77 Ų | 77 | 101.6 Ų | 101.6 | 47% | 0.467 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.5 | -40.3 | 173.1 | 174.7 | 0 | 0 | 0 | 0 | 111.3 | E1091 Q1092 L1097 Q1098 T1099 | E1091-V1095 WeakPolarHBondContact O-CG2 3.47Å; E1091-V1095 PolarHBondContact O-N 3Å; Q1092-V1095 PolarHBondContact O-N 3.39Å; Q1092-V1095 VanDerWaalsContact O-N 3.16Å; V1095-L1097 VanDerWaalsContact C-N 3.31Å; V1095-L1097 PolarHBondContact O-N 3.35Å; V1095-Q1098 PolarHBondContact O-N 2.98Å; V1095-T1099 HydrophobicContact CG1-CG2 4.37Å; V1095-T1099 WeakPolarHBondContact O-CB 3.42Å; V1095-T1099 WeakPolarHBondContact O-CG2 3.48Å; V1095-T1099 PolarHBondContact O-N 3.11Å; V1095-T1099 PolarHBondContact O-OG1 3.45Å |
| 1096 | E | 90.7 | Very high | 91.4 | Very high | 121 Ų | 121 | 102.5 Ų | 102.5 | 57% | 0.565 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.7 | -39.5 | 171.3 | -73 | -163.6 | 159.7 | 0 | 0 | 111.8 | Q1092 T1099 T1100 | Q1092-E1096 PolarHBondContact O-N 3.23Å; E1096-T1099 WeakPolarHBondContact CA-OG1 3.43Å; E1096-T1099 PolarHBondContact O-OG1 2.83Å; E1096-T1100 WeakPolarHBondContact O-CB 3.25Å; E1096-T1100 VanDerWaalsContact O-CG2 3.28Å; E1096-T1100 WeakPolarHBondContact O-CG2 3.37Å; E1096-T1100 PolarHBondContact O-N 3.34Å; E1096-T1100 PolarHBondContact O-OG1 3.22Å |
| 1097 | L | 90.6 | Very high | 91.3 | Very high | 95 Ų | 95 | 104.9 Ų | 104.9 | 50% | 0.497 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.7 | -40.8 | 176.2 | -177.1 | 60.7 | 0 | 0 | 0 | 112.3 | L1093 Q1094 V1095 T1100 Q1101 | L1093-L1097 WeakPolarHBondContact O-CB 3.26Å; L1093-L1097 PolarHBondContact O-N 3.41Å; Q1094-L1097 PolarHBondContact O-N 3.46Å; V1095-L1097 VanDerWaalsContact C-N 3.31Å; V1095-L1097 PolarHBondContact O-N 3.35Å; L1097-T1100 WeakPolarHBondContact CA-OG1 3.25Å; L1097-T1100 PolarHBondContact O-OG1 3.45Å; L1097-T1100 VanDerWaalsContact O-OG1 3.11Å; L1097-Q1101 HydrophobicContact CD1-CG 4.5Å; L1097-Q1101 WeakPolarHBondContact O-CB 3.36Å; L1097-Q1101 WeakPolarHBondContact O-CG 3.44Å; L1097-Q1101 PolarHBondContact O-N 2.79Å |
| 1098 | Q | 92.1 | Very high | 91.2 | Very high | 119 Ų | 119 | 104.7 Ų | 104.7 | 56% | 0.556 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.7 | -45.4 | 177.2 | -72.6 | -179.1 | 2.7 | 0 | 0 | 112.2 | Q1094 V1095 Q1101 A1102 | Q1094-Q1098 WeakPolarHBondContact O-CG 3.47Å; Q1094-Q1098 PolarHBondContact O-N 3.13Å; V1095-Q1098 PolarHBondContact O-N 2.98Å; Q1098-Q1101 PolarHBondContact O-N 2.92Å; Q1098-A1102 PolarHBondContact O-N 3.1Å |
| 1099 | T | 91.4 | Very high | 91 | Very high | 82 Ų | 82 | 103.2 Ų | 103.2 | 50% | 0.503 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.8 | -38.6 | 179.1 | 51 | 0 | 0 | 0 | 0 | 112.2 | V1095 E1096 A1102 S1103 | V1095-T1099 HydrophobicContact CG1-CG2 4.37Å; V1095-T1099 WeakPolarHBondContact O-CB 3.42Å; V1095-T1099 WeakPolarHBondContact O-CG2 3.48Å; V1095-T1099 PolarHBondContact O-N 3.11Å; V1095-T1099 PolarHBondContact O-OG1 3.45Å; E1096-T1099 WeakPolarHBondContact CA-OG1 3.43Å; E1096-T1099 PolarHBondContact O-OG1 2.83Å; T1099-A1102 PolarHBondContact O-N 3.38Å; T1099-S1103 PolarHBondContact O-N 2.83Å |
| 1100 | T | 90.1 | Very high | 90.9 | Very high | 73 Ų | 73 | 102.7 Ų | 102.7 | 45% | 0.448 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.6 | -41.8 | 172.9 | 51.1 | 0 | 0 | 0 | 0 | 112.3 | E1096 L1097 A1102 S1103 E1104 | E1096-T1100 WeakPolarHBondContact O-CB 3.25Å; E1096-T1100 VanDerWaalsContact O-CG2 3.28Å; E1096-T1100 WeakPolarHBondContact O-CG2 3.37Å; E1096-T1100 PolarHBondContact O-N 3.34Å; E1096-T1100 PolarHBondContact O-OG1 3.22Å; L1097-T1100 WeakPolarHBondContact CA-OG1 3.25Å; L1097-T1100 PolarHBondContact O-OG1 3.45Å; L1097-T1100 VanDerWaalsContact O-OG1 3.11Å; T1100-A1102 PolarHBondContact O-N 2.88Å; T1100-S1103 PolarHBondContact O-N 3.23Å; T1100-S1103 PolarHBondContact O-OG 3.34Å; T1100-E1104 PolarHBondContact O-N 3.34Å |
| 1101 | Q | 91.3 | Very high | 90.8 | Very high | 109 Ų | 109 | 100.7 Ų | 100.7 | 51% | 0.509 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.7 | -40.5 | 174 | -76.7 | 175.5 | 17.2 | 0 | 0 | 112.9 | L1097 Q1098 E1104 M1105 | L1097-Q1101 HydrophobicContact CD1-CG 4.5Å; L1097-Q1101 WeakPolarHBondContact O-CB 3.36Å; L1097-Q1101 WeakPolarHBondContact O-CG 3.44Å; L1097-Q1101 PolarHBondContact O-N 2.79Å; Q1098-Q1101 PolarHBondContact O-N 2.92Å; Q1101-E1104 PolarHBondContact O-N 2.68Å; Q1101-M1105 PolarHBondContact O-N 3.02Å |
| 1102 | A | 89.7 | Confident | 90.7 | Very high | 51 Ų | 51 | 100.1 Ų | 100.1 | 42% | 0.421 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61 | -48.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q1098 T1099 T1100 E1104 M1105 E1106 | Q1098-A1102 PolarHBondContact O-N 3.1Å; T1099-A1102 PolarHBondContact O-N 3.38Å; T1100-A1102 PolarHBondContact O-N 2.88Å; A1102-E1104 VanDerWaalsContact C-N 3.27Å; A1102-E1104 PolarHBondContact O-N 2.9Å; A1102-M1105 WeakPolarHBondContact O-CB 3.37Å; A1102-M1105 PolarHBondContact O-N 3.06Å; A1102-E1106 PolarHBondContact O-N 3.28Å |
| 1103 | S | 90.5 | Very high | 90.7 | Very high | 52 Ų | 52 | 100.9 Ų | 100.9 | 36% | 0.364 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.3 | -33.3 | 177.2 | 76.6 | 0 | 0 | 0 | 0 | 113.1 | T1099 T1100 L1107 | T1099-S1103 PolarHBondContact O-N 2.83Å; T1100-S1103 PolarHBondContact O-N 3.23Å; T1100-S1103 PolarHBondContact O-OG 3.34Å; S1103-L1107 WeakPolarHBondContact O-CB 3.48Å; S1103-L1107 VanDerWaalsContact O-CG 3.28Å; S1103-L1107 WeakPolarHBondContact O-CG 2.95Å; S1103-L1107 PolarHBondContact O-N 3.39Å |
| 1104 | E | 89.2 | Confident | 90.5 | Very high | 92 Ų | 92 | 100.6 Ų | 100.6 | 43% | 0.43 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -69.8 | -36.1 | 174.9 | -152.1 | -155.3 | 142.9 | 0 | 0 | 111.6 | T1100 Q1101 A1102 L1107 R1108 | T1100-E1104 PolarHBondContact O-N 3.34Å; Q1101-E1104 PolarHBondContact O-N 2.68Å; A1102-E1104 VanDerWaalsContact C-N 3.27Å; A1102-E1104 PolarHBondContact O-N 2.9Å; E1104-L1107 PolarHBondContact O-N 3.39Å; E1104-R1108 WeakPolarHBondContact O-CB 3.22Å; E1104-R1108 WeakPolarHBondContact O-CD 3.49Å; E1104-R1108 WeakPolarHBondContact O-CG 3.42Å; E1104-R1108 PolarHBondContact O-N 2.97Å; E1104-R1108 IonicContact OE1-CZ 3.67Å; E1104-R1108 IonicContact OE1-NE 3.52Å; E1104-R1108 PolarHBondContact OE1-NE 3.07Å; E1104-R1108 IonicContact OE1-NH2 2.95Å; E1104-R1108 PolarHBondContact OE1-NH2 3.26Å; E1104-R1108 IonicContact OE2-NH2 3.83Å |
| 1105 | M | 88.7 | Confident | 90.5 | Very high | 140 Ų | 140 | 100.6 Ų | 100.6 | 69% | 0.69 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.5 | -42.9 | 176.2 | -162.7 | -177.7 | -56.1 | 0 | 0 | 111.7 | Q1101 A1102 R1108 S1109 | Q1101-M1105 PolarHBondContact O-N 3.02Å; A1102-M1105 WeakPolarHBondContact O-CB 3.37Å; A1102-M1105 PolarHBondContact O-N 3.06Å; M1105-R1108 PolarHBondContact O-N 3.08Å; M1105-S1109 PolarHBondContact O-N 2.84Å |
| 1106 | E | 89.2 | Confident | 90.4 | Very high | 138 Ų | 138 | 106.5 Ų | 106.5 | 65% | 0.645 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62 | -48.7 | 173.1 | -68.3 | -177.8 | 168.6 | 0 | 0 | 111.7 | A1102 R1108 S1109 V1110 | A1102-E1106 PolarHBondContact O-N 3.28Å; E1106-R1108 VanDerWaalsContact C-N 3.3Å; E1106-R1108 PolarHBondContact O-N 3.26Å; E1106-S1109 WeakPolarHBondContact O-CB 3.36Å; E1106-S1109 PolarHBondContact O-N 3.37Å; E1106-S1109 VanDerWaalsContact O-N 3.08Å; E1106-V1110 WeakPolarHBondContact O-CG2 3.39Å; E1106-V1110 PolarHBondContact O-N 3.42Å |
| 1107 | L | 90.5 | Very high | 90.5 | Very high | 117 Ų | 117 | 105.5 Ų | 105.5 | 61% | 0.613 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.4 | -37.3 | 177.2 | -75.8 | 169.6 | 0 | 0 | 0 | 112.6 | S1103 E1104 N1111 | S1103-L1107 WeakPolarHBondContact O-CB 3.48Å; S1103-L1107 VanDerWaalsContact O-CG 3.28Å; S1103-L1107 WeakPolarHBondContact O-CG 2.95Å; S1103-L1107 PolarHBondContact O-N 3.39Å; E1104-L1107 PolarHBondContact O-N 3.39Å; L1107-N1111 VanDerWaalsContact O-CB 3.28Å; L1107-N1111 WeakPolarHBondContact O-CB 3.49Å; L1107-N1111 PolarHBondContact O-N 3.13Å |
| 1108 | R | 90.8 | Very high | 90.4 | Very high | 151 Ų | 151 | 105.2 Ų | 105.2 | 57% | 0.57 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.3 | -42.1 | 173.1 | -75.4 | 167 | 178 | -148.9 | 8.5 | 111.6 | E1104 M1105 E1106 N1111 Q1112 | E1104-R1108 WeakPolarHBondContact O-CB 3.22Å; E1104-R1108 WeakPolarHBondContact O-CD 3.49Å; E1104-R1108 WeakPolarHBondContact O-CG 3.42Å; E1104-R1108 PolarHBondContact O-N 2.97Å; E1104-R1108 IonicContact OE1-CZ 3.67Å; E1104-R1108 IonicContact OE1-NE 3.52Å; E1104-R1108 PolarHBondContact OE1-NE 3.07Å; E1104-R1108 IonicContact OE1-NH2 2.95Å; E1104-R1108 PolarHBondContact OE1-NH2 3.26Å; E1104-R1108 IonicContact OE2-NH2 3.83Å; M1105-R1108 PolarHBondContact O-N 3.08Å; E1106-R1108 VanDerWaalsContact C-N 3.3Å; E1106-R1108 PolarHBondContact O-N 3.26Å; R1108-N1111 PolarHBondContact O-N 3.06Å; R1108-Q1112 WeakPolarHBondContact O-CG 3.42Å; R1108-Q1112 PolarHBondContact O-N 3.07Å |
| 1109 | S | 88.2 | Confident | 90.4 | Very high | 75 Ų | 75 | 104.6 Ų | 104.6 | 52% | 0.524 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.6 | -47.9 | 175.8 | -174 | 0 | 0 | 0 | 0 | 111.9 | M1105 E1106 N1111 Q1112 H1113 | M1105-S1109 PolarHBondContact O-N 2.84Å; E1106-S1109 WeakPolarHBondContact O-CB 3.36Å; E1106-S1109 PolarHBondContact O-N 3.37Å; E1106-S1109 VanDerWaalsContact O-N 3.08Å; S1109-N1111 VanDerWaalsContact C-N 3.31Å; S1109-N1111 PolarHBondContact O-N 3.34Å; S1109-Q1112 WeakPolarHBondContact O-CB 3.49Å; S1109-Q1112 PolarHBondContact O-N 2.61Å; S1109-H1113 PolarHBondContact O-N 2.92Å |
| 1110 | V | 91.1 | Very high | 90.4 | Very high | 76 Ų | 76 | 105.3 Ų | 105.3 | 46% | 0.461 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.2 | -40.9 | 175.3 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | E1106 Q1112 H1113 Q1114 | E1106-V1110 WeakPolarHBondContact O-CG2 3.39Å; E1106-V1110 PolarHBondContact O-N 3.42Å; V1110-Q1112 PolarHBondContact O-N 2.72Å; V1110-H1113 PolarHBondContact O-N 3.48Å; V1110-Q1114 HydrophobicContact CG1-CG 4.47Å; V1110-Q1114 WeakPolarHBondContact O-CG 3.47Å; V1110-Q1114 PolarHBondContact O-N 3.36Å |
| 1111 | N | 90.7 | Very high | 90.5 | Very high | 69 Ų | 69 | 105.7 Ų | 105.7 | 37% | 0.369 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.5 | -33.9 | 177.6 | -167 | -101.9 | 0 | 0 | 0 | 112.9 | L1107 R1108 S1109 K1115 | L1107-N1111 VanDerWaalsContact O-CB 3.28Å; L1107-N1111 WeakPolarHBondContact O-CB 3.49Å; L1107-N1111 PolarHBondContact O-N 3.13Å; R1108-N1111 PolarHBondContact O-N 3.06Å; S1109-N1111 VanDerWaalsContact C-N 3.31Å; S1109-N1111 PolarHBondContact O-N 3.34Å; N1111-K1115 WeakPolarHBondContact O-CG 3.44Å; N1111-K1115 PolarHBondContact O-N 3.49Å; N1111-K1115 VanDerWaalsContact OD1-CE 3.29Å; N1111-K1115 WeakPolarHBondContact OD1-CE 3.35Å; N1111-K1115 PolarHBondContact OD1-NZ 3.41Å |
| 1112 | Q | 90 | Very high | 90.5 | Very high | 124 Ų | 124 | 105 Ų | 105 | 58% | 0.579 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65 | -46 | 170.5 | -73.6 | 179.4 | 6.6 | 0 | 0 | 111.3 | R1108 S1109 V1110 Q1114 K1115 W1116 | R1108-Q1112 WeakPolarHBondContact O-CG 3.42Å; R1108-Q1112 PolarHBondContact O-N 3.07Å; S1109-Q1112 WeakPolarHBondContact O-CB 3.49Å; S1109-Q1112 PolarHBondContact O-N 2.61Å; V1110-Q1112 PolarHBondContact O-N 2.72Å; Q1112-Q1114 VanDerWaalsContact C-N 3.32Å; Q1112-Q1114 PolarHBondContact O-N 3.23Å; Q1112-K1115 PolarHBondContact O-N 2.94Å; Q1112-W1116 PolarHBondContact O-N 3.2Å |
| 1113 | H | 91.2 | Very high | 90.6 | Very high | 140 Ų | 140 | 107.7 Ų | 107.7 | 65% | 0.648 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.5 | -39.8 | 176.7 | -173.6 | 75.8 | 0 | 0 | 0 | 112.3 | S1109 V1110 W1116 K1117 | S1109-H1113 PolarHBondContact O-N 2.92Å; V1110-H1113 PolarHBondContact O-N 3.48Å; H1113-W1116 PolarHBondContact O-N 2.91Å; H1113-K1117 WeakPolarHBondContact O-CB 3.46Å; H1113-K1117 PolarHBondContact O-N 3.44Å |
| 1114 | Q | 90.3 | Very high | 90.8 | Very high | 102 Ų | 102 | 108.6 Ų | 108.6 | 48% | 0.477 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62 | -41.5 | 173.4 | -74.3 | 172.4 | -8.8 | 0 | 0 | 112.4 | V1110 Q1112 K1117 I1118 | V1110-Q1114 HydrophobicContact CG1-CG 4.47Å; V1110-Q1114 WeakPolarHBondContact O-CG 3.47Å; V1110-Q1114 PolarHBondContact O-N 3.36Å; Q1112-Q1114 VanDerWaalsContact C-N 3.32Å; Q1112-Q1114 PolarHBondContact O-N 3.23Å; Q1114-K1117 PolarHBondContact O-N 2.95Å; Q1114-I1118 VanDerWaalsContact O-CG1 3.3Å; Q1114-I1118 WeakPolarHBondContact O-CG1 3.26Å; Q1114-I1118 PolarHBondContact O-N 2.89Å |
| 1115 | K | 91.3 | Very high | 90.9 | Very high | 110 Ų | 110 | 108.5 Ų | 108.5 | 48% | 0.478 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 174.9 | -77.7 | 164.9 | 173.3 | 155.7 | 0 | 112.4 | N1111 Q1112 K1117 I1118 H1119 | N1111-K1115 WeakPolarHBondContact O-CG 3.44Å; N1111-K1115 PolarHBondContact O-N 3.49Å; N1111-K1115 VanDerWaalsContact OD1-CE 3.29Å; N1111-K1115 WeakPolarHBondContact OD1-CE 3.35Å; N1111-K1115 PolarHBondContact OD1-NZ 3.41Å; Q1112-K1115 PolarHBondContact O-N 2.94Å; K1115-K1117 VanDerWaalsContact C-N 3.27Å; K1115-K1117 PolarHBondContact O-N 3.38Å; K1115-I1118 PolarHBondContact O-N 2.78Å; K1115-H1119 PolarHBondContact O-CD2 2.82Å; K1115-H1119 PolarHBondContact O-N 3.47Å |
| 1116 | W | 91.4 | Very high | 91 | Very high | 200 Ų | 200 | 106.7 Ų | 106.7 | 76% | 0.758 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -56 | -42.8 | 171.3 | -87.4 | 98.8 | 0 | 0 | 0 | 111.9 | Q1112 H1113 H1119 E1120 | Q1112-W1116 PolarHBondContact O-N 3.2Å; H1113-W1116 PolarHBondContact O-N 2.91Å; W1116-H1119 PolarHBondContact O-N 3.22Å; W1116-E1120 PolarHBondContact O-N 3.24Å |
| 1117 | K | 92.6 | Very high | 91.2 | Very high | 101 Ų | 101 | 105.2 Ų | 105.2 | 44% | 0.439 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -71.9 | -27.9 | 179 | -170.7 | 53.2 | -177.6 | 165.6 | 0 | 113.6 | H1113 Q1114 K1115 E1120 L1121 | H1113-K1117 WeakPolarHBondContact O-CB 3.46Å; H1113-K1117 PolarHBondContact O-N 3.44Å; Q1114-K1117 PolarHBondContact O-N 2.95Å; K1115-K1117 VanDerWaalsContact C-N 3.27Å; K1115-K1117 PolarHBondContact O-N 3.38Å; K1117-E1120 HydrophobicContact CD-CB 4.48Å; K1117-E1120 HydrophobicContact CD-CG 4.38Å; K1117-L1121 HydrophobicContact CG-CD1 4.46Å; K1117-L1121 WeakPolarHBondContact O-CD1 3.37Å; K1117-L1121 VanDerWaalsContact O-CG 3.28Å; K1117-L1121 WeakPolarHBondContact O-CG 3.47Å; K1117-L1121 PolarHBondContact O-N 3.27Å |
| 1118 | I | 89 | Confident | 91.2 | Very high | 88 Ų | 88 | 105.9 Ų | 105.9 | 45% | 0.451 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.1 | -50.6 | 171.1 | -72.6 | 162.9 | 0 | 0 | 0 | 109.9 | Q1114 K1115 E1120 L1121 E1122 | Q1114-I1118 VanDerWaalsContact O-CG1 3.3Å; Q1114-I1118 WeakPolarHBondContact O-CG1 3.26Å; Q1114-I1118 PolarHBondContact O-N 2.89Å; K1115-I1118 PolarHBondContact O-N 2.78Å; I1118-E1120 PolarHBondContact O-N 2.83Å; I1118-L1121 CarbonylContact O-C 3.57Å; I1118-L1121 WeakPolarHBondContact O-CA 3.47Å; I1118-L1121 WeakPolarHBondContact O-CB 3.47Å; I1118-L1121 PolarHBondContact O-N 3.4Å; I1118-E1122 HydrophobicContact CG2-CG 4.19Å; I1118-E1122 WeakPolarHBondContact O-CG 3.49Å; I1118-E1122 PolarHBondContact O-N 2.71Å |
| 1119 | H | 91.5 | Very high | 91.5 | Very high | 107 Ų | 107 | 102.2 Ų | 102.2 | 50% | 0.495 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.9 | -42.1 | 178.9 | -66.5 | -37.5 | 0 | 0 | 0 | 113 | K1115 W1116 L1121 E1122 D1123 | K1115-H1119 PolarHBondContact O-CD2 2.82Å; K1115-H1119 PolarHBondContact O-N 3.47Å; W1116-H1119 PolarHBondContact O-N 3.22Å; H1119-L1121 VanDerWaalsContact C-N 3.26Å; H1119-L1121 PolarHBondContact O-N 3.46Å; H1119-E1122 IonicContact CE1-OE2 3.54Å; H1119-E1122 IonicContact CG-OE2 2.63Å; H1119-E1122 IonicContact ND1-OE2 3.87Å; H1119-E1122 PolarHBondContact ND1-OE2 3.23Å; H1119-E1122 PolarHBondContact O-N 3.27Å; H1119-E1122 VanDerWaalsContact O-N 3.15Å; H1119-D1123 PolarHBondContact O-N 3.21Å |
| 1120 | E | 91.3 | Very high | 91.6 | Very high | 96 Ų | 96 | 102.1 Ų | 102.1 | 45% | 0.449 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -56.8 | -37.1 | 171.7 | 170.5 | 65.7 | -145.7 | 0 | 0 | 112.6 | W1116 K1117 I1118 Q1124 | W1116-E1120 PolarHBondContact O-N 3.24Å; K1117-E1120 HydrophobicContact CD-CB 4.48Å; K1117-E1120 HydrophobicContact CD-CG 4.38Å; I1118-E1120 PolarHBondContact O-N 2.83Å; E1120-Q1124 VanDerWaalsContact O-CG 3.27Å; E1120-Q1124 WeakPolarHBondContact O-CG 3.38Å; E1120-Q1124 PolarHBondContact O-N 2.82Å; E1120-Q1124 PolarHBondContact OE1-NE2 3.04Å |
| 1121 | L | 91.6 | Very high | 91.7 | Very high | 82 Ų | 82 | 105.9 Ų | 105.9 | 43% | 0.429 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -78.3 | -32.9 | 176.7 | -70.2 | 169.8 | 0 | 0 | 0 | 112.4 | K1117 I1118 H1119 Q1124 V1125 | K1117-L1121 HydrophobicContact CG-CD1 4.46Å; K1117-L1121 WeakPolarHBondContact O-CD1 3.37Å; K1117-L1121 VanDerWaalsContact O-CG 3.28Å; K1117-L1121 WeakPolarHBondContact O-CG 3.47Å; K1117-L1121 PolarHBondContact O-N 3.27Å; I1118-L1121 CarbonylContact O-C 3.57Å; I1118-L1121 WeakPolarHBondContact O-CA 3.47Å; I1118-L1121 WeakPolarHBondContact O-CB 3.47Å; I1118-L1121 PolarHBondContact O-N 3.4Å; H1119-L1121 VanDerWaalsContact C-N 3.26Å; H1119-L1121 PolarHBondContact O-N 3.46Å; L1121-Q1124 PolarHBondContact O-N 2.97Å; L1121-V1125 WeakPolarHBondContact O-CB 3.47Å; L1121-V1125 VanDerWaalsContact O-CG2 3.3Å; L1121-V1125 WeakPolarHBondContact O-CG2 3.2Å; L1121-V1125 PolarHBondContact O-N 2.87Å |
| 1122 | E | 92.3 | Very high | 91.7 | Very high | 94 Ų | 94 | 106.7 Ų | 106.7 | 44% | 0.439 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63 | -46.7 | 172.6 | -70.4 | 170.8 | 154.8 | 0 | 0 | 110.7 | I1118 H1119 Q1124 V1125 I1126 | I1118-E1122 HydrophobicContact CG2-CG 4.19Å; I1118-E1122 WeakPolarHBondContact O-CG 3.49Å; I1118-E1122 PolarHBondContact O-N 2.71Å; H1119-E1122 IonicContact CE1-OE2 3.54Å; H1119-E1122 IonicContact CG-OE2 2.63Å; H1119-E1122 IonicContact ND1-OE2 3.87Å; H1119-E1122 PolarHBondContact ND1-OE2 3.23Å; H1119-E1122 PolarHBondContact O-N 3.27Å; H1119-E1122 VanDerWaalsContact O-N 3.15Å; E1122-Q1124 PolarHBondContact O-N 2.86Å; E1122-V1125 CarbonylContact O-C 3.57Å; E1122-V1125 PolarHBondContact O-N 3.43Å; E1122-V1125 VanDerWaalsContact O-N 3.15Å; E1122-I1126 VanDerWaalsContact O-CG1 3.28Å; E1122-I1126 WeakPolarHBondContact O-CG1 3.41Å; E1122-I1126 PolarHBondContact O-N 2.98Å |
| 1123 | D | 91.3 | Very high | 91.7 | Very high | 107 Ų | 107 | 103 Ų | 103 | 57% | 0.572 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.3 | -41.8 | 175.2 | -79.2 | -26.2 | 0 | 0 | 0 | 112.1 | H1119 I1126 H1127 | H1119-D1123 PolarHBondContact O-N 3.21Å; D1123-I1126 PolarHBondContact O-N 2.96Å; D1123-H1127 WeakPolarHBondContact O-CB 3.46Å; D1123-H1127 PolarHBondContact O-N 3.37Å |
| 1124 | Q | 93.8 | Very high | 91.7 | Very high | 71 Ų | 71 | 97.3 Ų | 97.3 | 33% | 0.332 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 172.9 | -73.8 | 179.5 | 28.2 | 0 | 0 | 111.8 | E1120 L1121 E1122 H1127 Y1128 | E1120-Q1124 VanDerWaalsContact O-CG 3.27Å; E1120-Q1124 WeakPolarHBondContact O-CG 3.38Å; E1120-Q1124 PolarHBondContact O-N 2.82Å; E1120-Q1124 PolarHBondContact OE1-NE2 3.04Å; L1121-Q1124 PolarHBondContact O-N 2.97Å; E1122-Q1124 PolarHBondContact O-N 2.86Å; Q1124-H1127 PolarHBondContact O-N 3.33Å; Q1124-Y1128 HydrophobicContact CB-CE2 4.42Å; Q1124-Y1128 WeakPolarHBondContact O-CD2 3.42Å; Q1124-Y1128 PolarHBondContact O-N 2.94Å |
| 1125 | V | 92 | Very high | 91.7 | Very high | 90 Ų | 90 | 96.5 Ų | 96.5 | 55% | 0.545 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.2 | -40.2 | 175.9 | 167.3 | 0 | 0 | 0 | 0 | 111.4 | L1121 E1122 Y1128 T1129 | L1121-V1125 WeakPolarHBondContact O-CB 3.47Å; L1121-V1125 VanDerWaalsContact O-CG2 3.3Å; L1121-V1125 WeakPolarHBondContact O-CG2 3.2Å; L1121-V1125 PolarHBondContact O-N 2.87Å; E1122-V1125 CarbonylContact O-C 3.57Å; E1122-V1125 PolarHBondContact O-N 3.43Å; E1122-V1125 VanDerWaalsContact O-N 3.15Å; V1125-Y1128 PolarHBondContact O-N 3.32Å; V1125-T1129 VanDerWaalsContact O-CB 3.28Å; V1125-T1129 WeakPolarHBondContact O-CB 3.29Å; V1125-T1129 PolarHBondContact O-N 3.03Å; V1125-T1129 PolarHBondContact O-OG1 3.26Å |
| 1126 | I | 91 | Very high | 91.7 | Very high | 102 Ų | 102 | 96 Ų | 96 | 52% | 0.523 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.7 | -43.9 | 175.4 | -70 | 162.6 | 0 | 0 | 0 | 110.7 | E1122 D1123 T1129 S1130 | E1122-I1126 VanDerWaalsContact O-CG1 3.28Å; E1122-I1126 WeakPolarHBondContact O-CG1 3.41Å; E1122-I1126 PolarHBondContact O-N 2.98Å; D1123-I1126 PolarHBondContact O-N 2.96Å; I1126-T1129 PolarHBondContact O-N 3.16Å; I1126-S1130 WeakPolarHBondContact O-CB 3.47Å; I1126-S1130 PolarHBondContact O-N 2.99Å; I1126-S1130 PolarHBondContact O-OG 3.13Å |
| 1127 | H | 92.5 | Very high | 91.7 | Very high | 108 Ų | 108 | 94.1 Ų | 94.1 | 50% | 0.5 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.2 | -47.5 | 174.8 | 165.5 | -101.8 | 0 | 0 | 0 | 112.2 | D1123 Q1124 S1130 R1131 | D1123-H1127 WeakPolarHBondContact O-CB 3.46Å; D1123-H1127 PolarHBondContact O-N 3.37Å; Q1124-H1127 PolarHBondContact O-N 3.33Å; H1127-S1130 PolarHBondContact O-N 3.38Å; H1127-R1131 WeakPolarHBondContact O-CB 3.44Å; H1127-R1131 PolarHBondContact O-N 3.35Å |
| 1128 | Y | 92.5 | Very high | 91.7 | Very high | 130 Ų | 130 | 96 Ų | 96 | 51% | 0.51 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.1 | -39.1 | 177.9 | -74.2 | -59.4 | 0 | 0 | 0 | 112.5 | Q1124 V1125 R1131 I1132 | Q1124-Y1128 HydrophobicContact CB-CE2 4.42Å; Q1124-Y1128 WeakPolarHBondContact O-CD2 3.42Å; Q1124-Y1128 PolarHBondContact O-N 2.94Å; V1125-Y1128 PolarHBondContact O-N 3.32Å; Y1128-R1131 WeakPolarHBondContact O-CB 3.25Å; Y1128-R1131 PolarHBondContact O-N 2.87Å; Y1128-I1132 VanDerWaalsContact O-CG1 3.28Å; Y1128-I1132 WeakPolarHBondContact O-CG1 3.48Å; Y1128-I1132 PolarHBondContact O-N 3.17Å |
| 1129 | T | 95.2 | Very high | 91.7 | Very high | 74 Ų | 74 | 94.7 Ų | 94.7 | 45% | 0.454 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.8 | -46.1 | 174.5 | -56.2 | 0 | 0 | 0 | 0 | 110.6 | V1125 I1126 R1131 I1132 S1133 | V1125-T1129 VanDerWaalsContact O-CB 3.28Å; V1125-T1129 WeakPolarHBondContact O-CB 3.29Å; V1125-T1129 PolarHBondContact O-N 3.03Å; V1125-T1129 PolarHBondContact O-OG1 3.26Å; I1126-T1129 PolarHBondContact O-N 3.16Å; T1129-R1131 VanDerWaalsContact C-N 3.29Å; T1129-R1131 PolarHBondContact O-N 3.33Å; T1129-I1132 PolarHBondContact O-N 3.48Å; T1129-I1132 VanDerWaalsContact O-N 3.15Å; T1129-S1133 PolarHBondContact O-N 3.34Å |
| 1130 | S | 91.3 | Very high | 91.6 | Very high | 74 Ų | 74 | 95 Ų | 95 | 52% | 0.517 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.3 | -38.8 | 175.7 | -59 | 0 | 0 | 0 | 0 | 112.3 | I1126 H1127 G1134 | I1126-S1130 WeakPolarHBondContact O-CB 3.47Å; I1126-S1130 PolarHBondContact O-N 2.99Å; I1126-S1130 PolarHBondContact O-OG 3.13Å; H1127-S1130 PolarHBondContact O-N 3.38Å; S1130-G1134 PolarHBondContact O-N 3.18Å |
| 1131 | R | 94 | Very high | 91.5 | Very high | 154 Ų | 154 | 95 Ų | 95 | 58% | 0.581 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -68.3 | -38.6 | 174.7 | 176 | 174.9 | 170.6 | 145.5 | -3.2 | 112.5 | H1127 Y1128 T1129 G1134 L1135 | H1127-R1131 WeakPolarHBondContact O-CB 3.44Å; H1127-R1131 PolarHBondContact O-N 3.35Å; Y1128-R1131 WeakPolarHBondContact O-CB 3.25Å; Y1128-R1131 PolarHBondContact O-N 2.87Å; T1129-R1131 VanDerWaalsContact C-N 3.29Å; T1129-R1131 PolarHBondContact O-N 3.33Å; R1131-G1134 CarbonylContact O-C 3.33Å; R1131-G1134 PolarHBondContact O-N 3.22Å; R1131-L1135 HydrophobicContact CG-CD1 4.3Å; R1131-L1135 WeakPolarHBondContact O-CG 3.38Å; R1131-L1135 PolarHBondContact O-N 3.41Å |
| 1132 | I | 90.6 | Very high | 91.4 | Very high | 87 Ų | 87 | 96.2 Ų | 96.2 | 45% | 0.446 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63 | -50.5 | 174.4 | -72.6 | 162.7 | 0 | 0 | 0 | 109.5 | Y1128 T1129 G1134 L1135 E1136 | Y1128-I1132 VanDerWaalsContact O-CG1 3.28Å; Y1128-I1132 WeakPolarHBondContact O-CG1 3.48Å; Y1128-I1132 PolarHBondContact O-N 3.17Å; T1129-I1132 PolarHBondContact O-N 3.48Å; T1129-I1132 VanDerWaalsContact O-N 3.15Å; I1132-G1134 PolarHBondContact O-N 3.08Å; I1132-G1134 VanDerWaalsContact O-N 3.13Å; I1132-L1135 CarbonylContact O-C 3.47Å; I1132-L1135 WeakPolarHBondContact O-CA 3.34Å; I1132-L1135 WeakPolarHBondContact O-CB 3.41Å; I1132-L1135 PolarHBondContact O-N 3.07Å; I1132-E1136 HydrophobicContact CG2-CG 4.09Å; I1132-E1136 WeakPolarHBondContact O-CG 3.14Å; I1132-E1136 PolarHBondContact O-N 3.4Å |
| 1133 | S | 89.5 | Confident | 91.3 | Very high | 45 Ų | 45 | 95.8 Ų | 95.8 | 32% | 0.315 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -70.3 | -10.6 | 176.6 | -57 | 0 | 0 | 0 | 0 | 114.6 | T1129 E1136 R1137 | T1129-S1133 PolarHBondContact O-N 3.34Å; S1133-E1136 WeakPolarHBondContact CA-OE2 3.31Å; S1133-E1136 WeakPolarHBondContact CB-OE2 3.27Å; S1133-E1136 PolarHBondContact OG-OE2 3.4Å; S1133-R1137 PolarHBondContact O-NE 3.46Å; S1133-R1137 PolarHBondContact O-NH2 3Å |
| 1134 | G | 90.7 | Very high | 91.1 | Very high | 21 Ų | 21 | 92.4 Ų | 92.4 | 22% | 0.216 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -88.7 | -9.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | S1130 R1131 I1132 R1138 | S1130-G1134 PolarHBondContact O-N 3.18Å; R1131-G1134 CarbonylContact O-C 3.33Å; R1131-G1134 PolarHBondContact O-N 3.22Å; I1132-G1134 PolarHBondContact O-N 3.08Å; I1132-G1134 VanDerWaalsContact O-N 3.13Å; G1134-R1138 PolarHBondContact O-NE 3.33Å; G1134-R1138 PolarHBondContact O-NH2 2.81Å; G1134-R1138 VanDerWaalsContact O-NH2 3.15Å |
| 1135 | L | 90.5 | Very high | 90.8 | Very high | 86 Ų | 86 | 94.3 Ų | 94.3 | 45% | 0.45 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -96.4 | -42.6 | 169.5 | -75.8 | 160.9 | 0 | 0 | 0 | 110.7 | R1131 I1132 R1137 R1138 S1139 | R1131-L1135 HydrophobicContact CG-CD1 4.3Å; R1131-L1135 WeakPolarHBondContact O-CG 3.38Å; R1131-L1135 PolarHBondContact O-N 3.41Å; I1132-L1135 CarbonylContact O-C 3.47Å; I1132-L1135 WeakPolarHBondContact O-CA 3.34Å; I1132-L1135 WeakPolarHBondContact O-CB 3.41Å; I1132-L1135 PolarHBondContact O-N 3.07Å; L1135-R1137 PolarHBondContact O-N 2.96Å; L1135-R1138 VanDerWaalsContact CD2-NH2 3.33Å; L1135-R1138 CarbonylContact O-C 3.3Å; L1135-R1138 PolarHBondContact O-N 3.22Å; L1135-R1138 VanDerWaalsContact O-N 3.09Å; L1135-S1139 PolarHBondContact O-N 3.48Å |
| 1136 | E | 91.4 | Very high | 90.6 | Very high | 100 Ų | 100 | 94 Ų | 94 | 47% | 0.467 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -55.5 | -48.4 | 175.5 | -68 | 168.9 | 146.4 | 0 | 0 | 111.4 | I1132 S1133 R1138 S1139 I1140 | I1132-E1136 HydrophobicContact CG2-CG 4.09Å; I1132-E1136 WeakPolarHBondContact O-CG 3.14Å; I1132-E1136 PolarHBondContact O-N 3.4Å; S1133-E1136 WeakPolarHBondContact CA-OE2 3.31Å; S1133-E1136 WeakPolarHBondContact CB-OE2 3.27Å; S1133-E1136 PolarHBondContact OG-OE2 3.4Å; E1136-R1138 VanDerWaalsContact C-N 3.35Å; E1136-R1138 PolarHBondContact O-N 3.43Å; E1136-S1139 WeakPolarHBondContact O-CB 3.28Å; E1136-S1139 PolarHBondContact O-N 3Å; E1136-S1139 VanDerWaalsContact O-N 3.1Å; E1136-I1140 WeakPolarHBondContact O-CG1 3.43Å; E1136-I1140 PolarHBondContact O-N 3.29Å |
| 1137 | R | 90.7 | Very high | 90.5 | Very high | 159 Ų | 159 | 93.6 Ų | 93.6 | 60% | 0.6 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -55.7 | -46.8 | 173.4 | -86 | 177 | -77.9 | 175.5 | -6.5 | 112.3 | S1133 L1135 S1139 I1140 D1141 | S1133-R1137 PolarHBondContact O-NE 3.46Å; S1133-R1137 PolarHBondContact O-NH2 3Å; L1135-R1137 PolarHBondContact O-N 2.96Å; R1137-S1139 VanDerWaalsContact C-N 3.31Å; R1137-S1139 PolarHBondContact O-N 3.19Å; R1137-I1140 PolarHBondContact O-N 2.98Å; R1137-I1140 VanDerWaalsContact O-N 3.17Å; R1137-D1141 VanDerWaalsContact O-CG 3.23Å; R1137-D1141 PolarHBondContact O-N 3.37Å; R1137-D1141 VanDerWaalsContact O-OD2 3.1Å |
| 1138 | R | 92.9 | Very high | 90.1 | Very high | 140 Ų | 140 | 94.8 Ų | 94.8 | 53% | 0.528 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.4 | -30 | 176.7 | -79.5 | -177.6 | -71.7 | 164 | -3.1 | 113.3 | G1134 L1135 E1136 L1142 | G1134-R1138 PolarHBondContact O-NE 3.33Å; G1134-R1138 PolarHBondContact O-NH2 2.81Å; G1134-R1138 VanDerWaalsContact O-NH2 3.15Å; L1135-R1138 VanDerWaalsContact CD2-NH2 3.33Å; L1135-R1138 CarbonylContact O-C 3.3Å; L1135-R1138 PolarHBondContact O-N 3.22Å; L1135-R1138 VanDerWaalsContact O-N 3.09Å; E1136-R1138 VanDerWaalsContact C-N 3.35Å; E1136-R1138 PolarHBondContact O-N 3.43Å; R1138-L1142 WeakPolarHBondContact O-CB 3.43Å; R1138-L1142 WeakPolarHBondContact O-CD1 3.34Å; R1138-L1142 WeakPolarHBondContact O-CG 3.43Å; R1138-L1142 PolarHBondContact O-N 3.49Å |
| 1139 | S | 89.3 | Confident | 89.7 | Confident | 62 Ų | 62 | 91.1 Ų | 91.1 | 43% | 0.434 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.9 | -49.3 | 170.2 | -161.6 | 0 | 0 | 0 | 0 | 110 | L1135 E1136 R1137 D1141 L1142 D1143 | L1135-S1139 PolarHBondContact O-N 3.48Å; E1136-S1139 WeakPolarHBondContact O-CB 3.28Å; E1136-S1139 PolarHBondContact O-N 3Å; E1136-S1139 VanDerWaalsContact O-N 3.1Å; R1137-S1139 VanDerWaalsContact C-N 3.31Å; R1137-S1139 PolarHBondContact O-N 3.19Å; S1139-D1141 VanDerWaalsContact C-N 3.3Å; S1139-D1141 PolarHBondContact O-N 2.57Å; S1139-L1142 CarbonylContact O-C 3.45Å; S1139-L1142 PolarHBondContact O-N 2.85Å; S1139-L1142 VanDerWaalsContact O-N 3.13Å; S1139-D1143 WeakPolarHBondContact O-CB 3.47Å; S1139-D1143 PolarHBondContact O-N 2.93Å; S1139-D1143 PolarHBondContact OG-OD2 3.15Å |
| 1140 | I | 89.5 | Confident | 89.2 | Confident | 114 Ų | 114 | 94.2 Ų | 94.2 | 59% | 0.585 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -59.5 | -40.6 | 177.9 | -64.4 | 161.9 | 0 | 0 | 0 | 111.3 | E1136 R1137 A1144 | E1136-I1140 WeakPolarHBondContact O-CG1 3.43Å; E1136-I1140 PolarHBondContact O-N 3.29Å; R1137-I1140 PolarHBondContact O-N 2.98Å; R1137-I1140 VanDerWaalsContact O-N 3.17Å; I1140-A1144 VanDerWaalsContact O-CB 3.29Å; I1140-A1144 WeakPolarHBondContact O-CB 3.35Å; I1140-A1144 PolarHBondContact O-N 3.25Å |
| 1141 | D | 89 | Confident | 88.7 | Confident | 95 Ų | 95 | 93.4 Ų | 93.4 | 51% | 0.508 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.9 | -45.4 | 174.9 | -65.8 | -40.1 | 0 | 0 | 0 | 111.7 | R1137 S1139 A1144 E1145 | R1137-D1141 VanDerWaalsContact O-CG 3.23Å; R1137-D1141 PolarHBondContact O-N 3.37Å; R1137-D1141 VanDerWaalsContact O-OD2 3.1Å; S1139-D1141 VanDerWaalsContact C-N 3.3Å; S1139-D1141 PolarHBondContact O-N 2.57Å; D1141-A1144 PolarHBondContact O-N 3.01Å; D1141-E1145 PolarHBondContact O-N 3.11Å |
| 1142 | L | 90.3 | Very high | 88.2 | Confident | 108 Ų | 108 | 91.5 Ų | 91.5 | 57% | 0.565 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -69.3 | -36.8 | 177.4 | -74.7 | 169.1 | 0 | 0 | 0 | 112.9 | R1138 S1139 A1144 E1145 L1146 | R1138-L1142 WeakPolarHBondContact O-CB 3.43Å; R1138-L1142 WeakPolarHBondContact O-CD1 3.34Å; R1138-L1142 WeakPolarHBondContact O-CG 3.43Å; R1138-L1142 PolarHBondContact O-N 3.49Å; S1139-L1142 CarbonylContact O-C 3.45Å; S1139-L1142 PolarHBondContact O-N 2.85Å; S1139-L1142 VanDerWaalsContact O-N 3.13Å; L1142-A1144 VanDerWaalsContact C-N 3.32Å; L1142-E1145 CarbonylContact O-C 3.58Å; L1142-E1145 PolarHBondContact O-N 3.47Å; L1142-L1146 VanDerWaalsContact O-CB 3.25Å; L1142-L1146 WeakPolarHBondContact O-CB 3.41Å; L1142-L1146 PolarHBondContact O-N 3.21Å |
| 1143 | D | 89.4 | Confident | 87.7 | Confident | 84 Ų | 84 | 92.1 Ų | 92.1 | 45% | 0.449 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.6 | -37.3 | 173.6 | -76.9 | -52.7 | 0 | 0 | 0 | 110.1 | S1139 L1146 V1147 | S1139-D1143 WeakPolarHBondContact O-CB 3.47Å; S1139-D1143 PolarHBondContact O-N 2.93Å; S1139-D1143 PolarHBondContact OG-OD2 3.15Å; D1143-L1146 PolarHBondContact O-N 3.05Å; D1143-V1147 WeakPolarHBondContact O-CB 3.44Å; D1143-V1147 VanDerWaalsContact O-CG2 3.28Å; D1143-V1147 WeakPolarHBondContact O-CG2 3.43Å; D1143-V1147 PolarHBondContact O-N 3.1Å |
| 1144 | A | 87.9 | Confident | 87.3 | Confident | 36 Ų | 36 | 93.2 Ų | 93.2 | 30% | 0.298 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.9 | -36.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I1140 D1141 L1142 R1148 | I1140-A1144 VanDerWaalsContact O-CB 3.29Å; I1140-A1144 WeakPolarHBondContact O-CB 3.35Å; I1140-A1144 PolarHBondContact O-N 3.25Å; D1141-A1144 PolarHBondContact O-N 3.01Å; L1142-A1144 VanDerWaalsContact C-N 3.32Å; A1144-R1148 WeakPolarHBondContact O-CB 3.45Å; A1144-R1148 WeakPolarHBondContact O-CG 3.36Å; A1144-R1148 PolarHBondContact O-N 2.79Å |
| 1145 | E | 87.1 | Confident | 86.6 | Confident | 112 Ų | 112 | 94.5 Ų | 94.5 | 52% | 0.523 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65 | -40.3 | 169.2 | -74.3 | -172.4 | 170.3 | 0 | 0 | 112.3 | D1141 L1142 R1148 A1149 | D1141-E1145 PolarHBondContact O-N 3.11Å; L1142-E1145 CarbonylContact O-C 3.58Å; L1142-E1145 PolarHBondContact O-N 3.47Å; E1145-R1148 WeakPolarHBondContact O-CB 3.37Å; E1145-R1148 PolarHBondContact O-N 3.44Å; E1145-A1149 WeakPolarHBondContact O-CB 3.32Å; E1145-A1149 PolarHBondContact O-N 3.44Å |
| 1146 | L | 87.3 | Confident | 85.9 | Confident | 84 Ų | 84 | 93.9 Ų | 93.9 | 44% | 0.44 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.4 | -34.4 | 178.4 | -169.9 | 152.8 | 0 | 0 | 0 | 111.3 | L1142 D1143 K1150 | L1142-L1146 VanDerWaalsContact O-CB 3.25Å; L1142-L1146 WeakPolarHBondContact O-CB 3.41Å; L1142-L1146 PolarHBondContact O-N 3.21Å; D1143-L1146 PolarHBondContact O-N 3.05Å; L1146-K1150 HydrophobicContact CD2-CD 3.77Å; L1146-K1150 HydrophobicContact CD2-CG 4.3Å; L1146-K1150 VanDerWaalsContact CD2-NZ 3.32Å; L1146-K1150 VanDerWaalsContact O-CB 3.27Å; L1146-K1150 WeakPolarHBondContact O-CB 3.46Å; L1146-K1150 VanDerWaalsContact O-CG 3.29Å; L1146-K1150 WeakPolarHBondContact O-CG 3.37Å; L1146-K1150 PolarHBondContact O-N 2.91Å |
| 1147 | V | 88.2 | Confident | 85.3 | Confident | 93 Ų | 93 | 97.4 Ų | 97.4 | 56% | 0.564 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.5 | -43.3 | 169.4 | 167.3 | 0 | 0 | 0 | 0 | 111.2 | D1143 K1150 A1151 | D1143-V1147 WeakPolarHBondContact O-CB 3.44Å; D1143-V1147 VanDerWaalsContact O-CG2 3.28Å; D1143-V1147 WeakPolarHBondContact O-CG2 3.43Å; D1143-V1147 PolarHBondContact O-N 3.1Å; V1147-K1150 PolarHBondContact O-N 2.91Å; V1147-A1151 WeakPolarHBondContact O-CB 3.38Å; V1147-A1151 PolarHBondContact O-N 2.81Å |
| 1148 | R | 85.8 | Confident | 84.5 | Confident | 133 Ų | 133 | 95.5 Ų | 95.5 | 50% | 0.502 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.1 | -51.4 | 172.8 | -76 | -177.6 | -71.6 | -94.8 | 7 | 111.3 | A1144 E1145 K1150 A1151 D1152 | A1144-R1148 WeakPolarHBondContact O-CB 3.45Å; A1144-R1148 WeakPolarHBondContact O-CG 3.36Å; A1144-R1148 PolarHBondContact O-N 2.79Å; E1145-R1148 WeakPolarHBondContact O-CB 3.37Å; E1145-R1148 PolarHBondContact O-N 3.44Å; R1148-K1150 VanDerWaalsContact C-N 3.31Å; R1148-K1150 PolarHBondContact O-N 3.42Å; R1148-A1151 CarbonylContact O-C 3.44Å; R1148-A1151 WeakPolarHBondContact O-CA 3.26Å; R1148-A1151 WeakPolarHBondContact O-CB 3.35Å; R1148-A1151 PolarHBondContact O-N 3.24Å; R1148-D1152 PolarHBondContact O-N 3.01Å |
| 1149 | A | 82.8 | Confident | 83.7 | Confident | 53 Ų | 53 | 92.4 Ų | 92.4 | 44% | 0.438 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.4 | -34.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | E1145 L1153 | E1145-A1149 WeakPolarHBondContact O-CB 3.32Å; E1145-A1149 PolarHBondContact O-N 3.44Å; A1149-L1153 WeakPolarHBondContact O-CB 3.32Å; A1149-L1153 PolarHBondContact O-N 3.17Å |
| 1150 | K | 85.6 | Confident | 82.7 | Confident | 138 Ų | 138 | 91.3 Ų | 91.3 | 60% | 0.6 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.9 | -38.6 | 169.7 | -84.4 | 176.2 | 178.3 | 164.5 | 0 | 112 | L1146 V1147 R1148 S1154 | L1146-K1150 HydrophobicContact CD2-CD 3.77Å; L1146-K1150 HydrophobicContact CD2-CG 4.3Å; L1146-K1150 VanDerWaalsContact CD2-NZ 3.32Å; L1146-K1150 VanDerWaalsContact O-CB 3.27Å; L1146-K1150 WeakPolarHBondContact O-CB 3.46Å; L1146-K1150 VanDerWaalsContact O-CG 3.29Å; L1146-K1150 WeakPolarHBondContact O-CG 3.37Å; L1146-K1150 PolarHBondContact O-N 2.91Å; V1147-K1150 PolarHBondContact O-N 2.91Å; R1148-K1150 VanDerWaalsContact C-N 3.31Å; R1148-K1150 PolarHBondContact O-N 3.42Å; K1150-S1154 WeakPolarHBondContact O-CB 3.41Å; K1150-S1154 PolarHBondContact O-N 3.36Å |
| 1151 | A | 81.1 | Confident | 81.7 | Confident | 57 Ų | 57 | 88.4 Ų | 88.4 | 47% | 0.471 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.5 | -43.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V1147 R1148 S1154 A1155 | V1147-A1151 WeakPolarHBondContact O-CB 3.38Å; V1147-A1151 PolarHBondContact O-N 2.81Å; R1148-A1151 CarbonylContact O-C 3.44Å; R1148-A1151 WeakPolarHBondContact O-CA 3.26Å; R1148-A1151 WeakPolarHBondContact O-CB 3.35Å; R1148-A1151 PolarHBondContact O-N 3.24Å; A1151-S1154 CarbonylContact O-C 3.54Å; A1151-S1154 WeakPolarHBondContact O-CA 3.48Å; A1151-S1154 WeakPolarHBondContact O-CB 3.32Å; A1151-S1154 PolarHBondContact O-N 3.21Å; A1151-S1154 VanDerWaalsContact O-N 3.15Å; A1151-A1155 PolarHBondContact O-N 3.03Å |
| 1152 | D | 83.6 | Confident | 80.7 | Confident | 115 Ų | 115 | 89 Ų | 89 | 62% | 0.615 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.3 | -43.8 | 174.4 | -65.6 | -35.5 | 0 | 0 | 0 | 111.6 | R1148 S1154 A1155 S1156 | R1148-D1152 PolarHBondContact O-N 3.01Å; D1152-S1154 VanDerWaalsContact C-N 3.3Å; D1152-S1154 PolarHBondContact O-N 3.44Å; D1152-A1155 PolarHBondContact O-N 3.34Å; D1152-S1156 VanDerWaalsContact O-CB 3.27Å; D1152-S1156 WeakPolarHBondContact O-CB 3.34Å; D1152-S1156 PolarHBondContact O-N 3.16Å |
| 1153 | L | 78.9 | Confident | 79.9 | Confident | 99 Ų | 99 | 93.6 Ų | 93.6 | 52% | 0.518 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.4 | -29.4 | 175.6 | -161.5 | 152.4 | 0 | 0 | 0 | 111.3 | A1149 R1157 | A1149-L1153 WeakPolarHBondContact O-CB 3.32Å; A1149-L1153 PolarHBondContact O-N 3.17Å; L1153-R1157 HydrophobicContact CD2-CG 4.07Å; L1153-R1157 VanDerWaalsContact O-CB 3.26Å; L1153-R1157 WeakPolarHBondContact O-CB 3.29Å; L1153-R1157 VanDerWaalsContact O-CG 3.29Å; L1153-R1157 WeakPolarHBondContact O-CG 3.49Å; L1153-R1157 PolarHBondContact O-N 2.71Å |
| 1154 | S | 80.8 | Confident | 78.7 | Confident | 69 Ų | 69 | 96 Ų | 96 | 48% | 0.483 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.2 | -45.3 | 171 | -166.6 | 0 | 0 | 0 | 0 | 111.5 | K1150 A1151 D1152 S1156 R1157 E1158 | K1150-S1154 WeakPolarHBondContact O-CB 3.41Å; K1150-S1154 PolarHBondContact O-N 3.36Å; A1151-S1154 CarbonylContact O-C 3.54Å; A1151-S1154 WeakPolarHBondContact O-CA 3.48Å; A1151-S1154 WeakPolarHBondContact O-CB 3.32Å; A1151-S1154 PolarHBondContact O-N 3.21Å; A1151-S1154 VanDerWaalsContact O-N 3.15Å; D1152-S1154 VanDerWaalsContact C-N 3.3Å; D1152-S1154 PolarHBondContact O-N 3.44Å; S1154-S1156 VanDerWaalsContact C-N 3.32Å; S1154-S1156 PolarHBondContact O-N 2.98Å; S1154-R1157 CarbonylContact O-C 3.59Å; S1154-R1157 WeakPolarHBondContact O-CB 3.5Å; S1154-R1157 PolarHBondContact O-N 3.25Å; S1154-E1158 VanDerWaalsContact O-CB 3.28Å; S1154-E1158 WeakPolarHBondContact O-CB 3.38Å; S1154-E1158 PolarHBondContact O-N 2.89Å |
| 1155 | A | 76.5 | Confident | 77.3 | Confident | 47 Ų | 47 | 96 Ų | 96 | 39% | 0.388 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.5 | -34.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1151 D1152 E1158 T1159 | A1151-A1155 PolarHBondContact O-N 3.03Å; D1152-A1155 PolarHBondContact O-N 3.34Å; A1155-E1158 PolarHBondContact O-N 3.25Å; A1155-T1159 WeakPolarHBondContact O-CB 3.37Å; A1155-T1159 WeakPolarHBondContact O-CG2 3.32Å; A1155-T1159 PolarHBondContact O-N 3Å; A1155-T1159 PolarHBondContact O-OG1 3.47Å |
| 1156 | S | 76.9 | Confident | 76 | Confident | 74 Ų | 74 | 93.3 Ų | 93.3 | 52% | 0.517 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.2 | -41 | 171.1 | -170.5 | 0 | 0 | 0 | 0 | 111.7 | D1152 S1154 T1159 A1160 | D1152-S1156 VanDerWaalsContact O-CB 3.27Å; D1152-S1156 WeakPolarHBondContact O-CB 3.34Å; D1152-S1156 PolarHBondContact O-N 3.16Å; S1154-S1156 VanDerWaalsContact C-N 3.32Å; S1154-S1156 PolarHBondContact O-N 2.98Å; S1156-T1159 WeakPolarHBondContact CA-OG1 3.27Å; S1156-T1159 PolarHBondContact O-OG1 3.33Å; S1156-T1159 VanDerWaalsContact O-OG1 3.11Å; S1156-A1160 VanDerWaalsContact O-CB 3.22Å; S1156-A1160 WeakPolarHBondContact O-CB 3.49Å; S1156-A1160 PolarHBondContact O-N 2.85Å |
| 1157 | R | 77.5 | Confident | 74.9 | Confident | 174 Ų | 174 | 97.1 Ų | 97.1 | 66% | 0.657 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.8 | -36.7 | 171.3 | -83.5 | 179.3 | 172.9 | -170.5 | -1.5 | 112.4 | L1153 S1154 A1160 S1161 | L1153-R1157 HydrophobicContact CD2-CG 4.07Å; L1153-R1157 VanDerWaalsContact O-CB 3.26Å; L1153-R1157 WeakPolarHBondContact O-CB 3.29Å; L1153-R1157 VanDerWaalsContact O-CG 3.29Å; L1153-R1157 WeakPolarHBondContact O-CG 3.49Å; L1153-R1157 PolarHBondContact O-N 2.71Å; S1154-R1157 CarbonylContact O-C 3.59Å; S1154-R1157 WeakPolarHBondContact O-CB 3.5Å; S1154-R1157 PolarHBondContact O-N 3.25Å; R1157-A1160 CarbonylContact O-C 3.59Å; R1157-A1160 PolarHBondContact O-N 2.82Å; R1157-S1161 WeakPolarHBondContact O-CA 3.43Å; R1157-S1161 VanDerWaalsContact O-CB 3.23Å; R1157-S1161 WeakPolarHBondContact O-CB 3.29Å; R1157-S1161 PolarHBondContact O-N 3.26Å |
| 1158 | E | 75.2 | Confident | 73.4 | Confident | 119 Ų | 119 | 95.7 Ų | 95.7 | 56% | 0.556 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -72.3 | -46 | 179.6 | -175.3 | 179.1 | -176.4 | 0 | 0 | 110.5 | S1154 A1155 A1160 S1161 L1162 | S1154-E1158 VanDerWaalsContact O-CB 3.28Å; S1154-E1158 WeakPolarHBondContact O-CB 3.38Å; S1154-E1158 PolarHBondContact O-N 2.89Å; A1155-E1158 PolarHBondContact O-N 3.25Å; E1158-A1160 VanDerWaalsContact C-N 3.3Å; E1158-A1160 PolarHBondContact O-N 3.48Å; E1158-S1161 CarbonylContact O-C 3.6Å; E1158-S1161 WeakPolarHBondContact O-CA 3.5Å; E1158-S1161 WeakPolarHBondContact O-CB 3.21Å; E1158-S1161 PolarHBondContact O-N 3.34Å; E1158-L1162 HydrophobicContact CG-CD1 4.4Å; E1158-L1162 WeakPolarHBondContact O-CG 3.44Å; E1158-L1162 PolarHBondContact O-N 3.23Å |
| 1159 | T | 75.4 | Confident | 71.9 | Confident | 75 Ų | 75 | 98.3 Ų | 98.3 | 46% | 0.46 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.4 | -35.8 | 171.7 | 51.4 | 0 | 0 | 0 | 0 | 111.9 | A1155 S1156 S1161 L1162 R1163 | A1155-T1159 WeakPolarHBondContact O-CB 3.37Å; A1155-T1159 WeakPolarHBondContact O-CG2 3.32Å; A1155-T1159 PolarHBondContact O-N 3Å; A1155-T1159 PolarHBondContact O-OG1 3.47Å; S1156-T1159 WeakPolarHBondContact CA-OG1 3.27Å; S1156-T1159 PolarHBondContact O-OG1 3.33Å; S1156-T1159 VanDerWaalsContact O-OG1 3.11Å; T1159-S1161 VanDerWaalsContact C-N 3.33Å; T1159-L1162 PolarHBondContact O-N 2.95Å; T1159-R1163 WeakPolarHBondContact O-CG 3.35Å; T1159-R1163 PolarHBondContact O-N 3.45Å |
| 1160 | A | 68.5 | Low | 70.4 | Confident | 39 Ų | 39 | 102.8 Ų | 102.8 | 32% | 0.322 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.9 | -28.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S1156 R1157 E1158 R1164 | S1156-A1160 VanDerWaalsContact O-CB 3.22Å; S1156-A1160 WeakPolarHBondContact O-CB 3.49Å; S1156-A1160 PolarHBondContact O-N 2.85Å; R1157-A1160 CarbonylContact O-C 3.59Å; R1157-A1160 PolarHBondContact O-N 2.82Å; E1158-A1160 VanDerWaalsContact C-N 3.3Å; E1158-A1160 PolarHBondContact O-N 3.48Å; A1160-R1164 PolarHBondContact O-N 2.69Å |
| 1161 | S | 68 | Low | 68.8 | Low | 53 Ų | 53 | 98.5 Ų | 98.5 | 37% | 0.371 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -78.1 | -29.8 | 175.3 | -137.6 | 0 | 0 | 0 | 0 | 112.2 | R1157 E1158 T1159 R1164 A1165 | R1157-S1161 WeakPolarHBondContact O-CA 3.43Å; R1157-S1161 VanDerWaalsContact O-CB 3.23Å; R1157-S1161 WeakPolarHBondContact O-CB 3.29Å; R1157-S1161 PolarHBondContact O-N 3.26Å; E1158-S1161 CarbonylContact O-C 3.6Å; E1158-S1161 WeakPolarHBondContact O-CA 3.5Å; E1158-S1161 WeakPolarHBondContact O-CB 3.21Å; E1158-S1161 PolarHBondContact O-N 3.34Å; T1159-S1161 VanDerWaalsContact C-N 3.33Å; S1161-R1164 CarbonylContact O-C 3.56Å; S1161-R1164 PolarHBondContact O-N 2.84Å; S1161-R1164 PolarHBondContact OG-NH1 3.32Å; S1161-A1165 WeakPolarHBondContact O-CB 3.27Å; S1161-A1165 PolarHBondContact O-N 3.26Å |
| 1162 | L | 69.2 | Low | 67.2 | Low | 107 Ų | 107 | 99.4 Ų | 99.4 | 56% | 0.56 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -72.3 | -37.9 | 170.6 | -71.9 | 167 | 0 | 0 | 0 | 110.2 | E1158 T1159 A1166 | E1158-L1162 HydrophobicContact CG-CD1 4.4Å; E1158-L1162 WeakPolarHBondContact O-CG 3.44Å; E1158-L1162 PolarHBondContact O-N 3.23Å; T1159-L1162 PolarHBondContact O-N 2.95Å; L1162-A1166 VanDerWaalsContact O-CB 3.26Å; L1162-A1166 WeakPolarHBondContact O-CB 3.25Å; L1162-A1166 PolarHBondContact O-N 2.87Å |
| 1163 | R | 72.4 | Confident | 65.6 | Low | 204 Ų | 204 | 102 Ų | 102 | 77% | 0.77 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.8 | -40.2 | 168.1 | -70.4 | 177 | -166.6 | -152.1 | 5.5 | 112 | T1159 K1167 | T1159-R1163 WeakPolarHBondContact O-CG 3.35Å; T1159-R1163 PolarHBondContact O-N 3.45Å; R1163-K1167 PolarHBondContact O-N 2.81Å |
| 1164 | R | 64.7 | Low | 64.1 | Low | 135 Ų | 135 | 107.8 Ų | 107.8 | 51% | 0.509 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.8 | -53.9 | 171.7 | -90.6 | -176.5 | -85.3 | 94.7 | 4.9 | 110.8 | A1160 S1161 A1166 K1167 T1168 | A1160-R1164 PolarHBondContact O-N 2.69Å; S1161-R1164 CarbonylContact O-C 3.56Å; S1161-R1164 PolarHBondContact O-N 2.84Å; S1161-R1164 PolarHBondContact OG-NH1 3.32Å; R1164-A1166 VanDerWaalsContact C-N 3.3Å; R1164-A1166 PolarHBondContact O-N 3.26Å; R1164-K1167 CarbonylContact O-C 3.54Å; R1164-K1167 VanDerWaalsContact O-CA 3.24Å; R1164-K1167 WeakPolarHBondContact O-CA 3.35Å; R1164-K1167 VanDerWaalsContact O-CB 3.25Å; R1164-K1167 WeakPolarHBondContact O-CB 3.48Å; R1164-K1167 PolarHBondContact O-N 3.44Å; R1164-T1168 PolarHBondContact O-N 3.3Å; R1164-T1168 PolarHBondContact O-OG1 3.36Å |
| 1165 | A | 57.2 | Low | 62.5 | Low | 35 Ų | 35 | 111.4 Ų | 111.4 | 29% | 0.289 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.3 | -26.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | S1161 K1167 T1168 R1169 | S1161-A1165 WeakPolarHBondContact O-CB 3.27Å; S1161-A1165 PolarHBondContact O-N 3.26Å; A1165-K1167 VanDerWaalsContact C-N 3.33Å; A1165-T1168 WeakPolarHBondContact CA-OG1 3.35Å; A1165-T1168 PolarHBondContact O-N 3.27Å; A1165-R1169 WeakPolarHBondContact O-CB 3.37Å; A1165-R1169 WeakPolarHBondContact O-CG 3.43Å; A1165-R1169 PolarHBondContact O-N 2.63Å |
| 1166 | A | 61 | Low | 60.9 | Low | 56 Ų | 56 | 116.1 Ų | 116.1 | 46% | 0.463 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.7 | -36.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1162 R1164 | L1162-A1166 VanDerWaalsContact O-CB 3.26Å; L1162-A1166 WeakPolarHBondContact O-CB 3.25Å; L1162-A1166 PolarHBondContact O-N 2.87Å; R1164-A1166 VanDerWaalsContact C-N 3.3Å; R1164-A1166 PolarHBondContact O-N 3.26Å |
| 1167 | K | 64.2 | Low | 59.5 | Low | 164 Ų | 164 | 119.1 Ų | 119.1 | 71% | 0.713 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -78.8 | -30.5 | 172.8 | -167.2 | -179.5 | -179.2 | -176.3 | 0 | 112.6 | R1163 R1164 A1165 M1170 | R1163-K1167 PolarHBondContact O-N 2.81Å; R1164-K1167 CarbonylContact O-C 3.54Å; R1164-K1167 VanDerWaalsContact O-CA 3.24Å; R1164-K1167 WeakPolarHBondContact O-CA 3.35Å; R1164-K1167 VanDerWaalsContact O-CB 3.25Å; R1164-K1167 WeakPolarHBondContact O-CB 3.48Å; R1164-K1167 PolarHBondContact O-N 3.44Å; A1165-K1167 VanDerWaalsContact C-N 3.33Å; K1167-M1170 PolarHBondContact O-N 2.91Å |
| 1168 | T | 56.7 | Low | 57.7 | Low | 64 Ų | 64 | 118.8 Ų | 118.8 | 39% | 0.393 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -71.4 | -40.3 | 173.4 | -32.7 | 0 | 0 | 0 | 0 | 109.8 | R1164 A1165 M1170 A1171 D1172 | R1164-T1168 PolarHBondContact O-N 3.3Å; R1164-T1168 PolarHBondContact O-OG1 3.36Å; A1165-T1168 WeakPolarHBondContact CA-OG1 3.35Å; A1165-T1168 PolarHBondContact O-N 3.27Å; T1168-M1170 PolarHBondContact O-N 3.22Å; T1168-M1170 VanDerWaalsContact O-N 3.12Å; T1168-A1171 CarbonylContact O-C 3.59Å; T1168-A1171 VanDerWaalsContact O-C 3.3Å; T1168-A1171 VanDerWaalsContact O-CA 3.26Å; T1168-A1171 WeakPolarHBondContact O-CA 3.23Å; T1168-A1171 WeakPolarHBondContact O-CB 3.33Å; T1168-A1171 PolarHBondContact O-N 2.6Å; T1168-D1172 WeakPolarHBondContact CG2-OD1 3.5Å; T1168-D1172 PolarHBondContact O-N 3.47Å |
| 1169 | R | 53.7 | Low | 55.8 | Low | 187 Ų | 187 | 120.3 Ų | 120.3 | 71% | 0.706 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -56.4 | -31.1 | 172.9 | -78.4 | 171.1 | -177 | -176.5 | 1.4 | 113.6 | A1165 A1171 D1172 | A1165-R1169 WeakPolarHBondContact O-CB 3.37Å; A1165-R1169 WeakPolarHBondContact O-CG 3.43Å; A1165-R1169 PolarHBondContact O-N 2.63Å; R1169-A1171 PolarHBondContact O-N 2.94Å; R1169-D1172 WeakPolarHBondContact CA-OD2 3.32Å; R1169-D1172 PolarHBondContact N-OD2 3.43Å |
| 1170 | M | 51.2 | Low | 54.1 | Low | 148 Ų | 148 | 124.9 Ų | 124.9 | 73% | 0.729 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -74.6 | -7.8 | 171.9 | -65.7 | 175.6 | 168.8 | 0 | 0 | 114.2 | K1167 T1168 | K1167-M1170 PolarHBondContact O-N 2.91Å; T1168-M1170 PolarHBondContact O-N 3.22Å; T1168-M1170 VanDerWaalsContact O-N 3.12Å |
| 1171 | A | 52.2 | Low | 52.8 | Low | 48 Ų | 48 | 128.1 Ų | 128.1 | 40% | 0.397 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -117.4 | -18 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | T1168 R1169 E1173 W1174 L1175 | T1168-A1171 CarbonylContact O-C 3.59Å; T1168-A1171 VanDerWaalsContact O-C 3.3Å; T1168-A1171 VanDerWaalsContact O-CA 3.26Å; T1168-A1171 WeakPolarHBondContact O-CA 3.23Å; T1168-A1171 WeakPolarHBondContact O-CB 3.33Å; T1168-A1171 PolarHBondContact O-N 2.6Å; R1169-A1171 PolarHBondContact O-N 2.94Å; A1171-E1173 VanDerWaalsContact C-N 3.32Å; A1171-W1174 WeakPolarHBondContact O-CA 3.33Å; A1171-W1174 VanDerWaalsContact O-CB 3.27Å; A1171-W1174 WeakPolarHBondContact O-CB 3.39Å; A1171-W1174 PolarHBondContact O-N 2.76Å; A1171-L1175 PolarHBondContact O-N 2.86Å |
| 1172 | D | 48.1 | Very low | 51.2 | Low | 75 Ų | 75 | 132.6 Ų | 132.6 | 40% | 0.401 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -75.8 | -24.9 | 175.8 | -61.8 | -38.3 | 0 | 0 | 0 | 110.5 | T1168 R1169 W1174 | T1168-D1172 WeakPolarHBondContact CG2-OD1 3.5Å; T1168-D1172 PolarHBondContact O-N 3.47Å; R1169-D1172 WeakPolarHBondContact CA-OD2 3.32Å; R1169-D1172 PolarHBondContact N-OD2 3.43Å; D1172-W1174 PolarHBondContact O-N 3.43Å |
| 1173 | E | 50.2 | Low | 49.7 | Very low | 171 Ų | 171 | 135.4 Ų | 135.4 | 80% | 0.799 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -57.3 | -22.1 | 161.2 | -72.6 | -173.5 | 162.8 | 0 | 0 | 112.8 | A1171 | A1171-E1173 VanDerWaalsContact C-N 3.32Å |
| 1174 | W | 46.1 | Very low | 48.2 | Very low | 219 Ų | 219 | 130.6 Ų | 130.6 | 83% | 0.83 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -104.2 | -14.7 | -175.3 | -88.4 | 87.2 | 0 | 0 | 0 | 115.2 | A1171 D1172 | A1171-W1174 WeakPolarHBondContact O-CA 3.33Å; A1171-W1174 VanDerWaalsContact O-CB 3.27Å; A1171-W1174 WeakPolarHBondContact O-CB 3.39Å; A1171-W1174 PolarHBondContact O-N 2.76Å; D1172-W1174 PolarHBondContact O-N 3.43Å |
| 1175 | L | 47.3 | Very low | 47 | Very low | 145 Ų | 145 | 132.3 Ų | 132.3 | 76% | 0.759 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -135.4 | 26.2 | -170.7 | -142.2 | 72.9 | 0 | 0 | 0 | 114.9 | A1171 I1177 | A1171-L1175 PolarHBondContact O-N 2.86Å; L1175-I1177 PolarHBondContact O-N 2.83Å |
| 1176 | N | 43.6 | Very low | 46.2 | Very low | 147 Ų | 147 | 136.9 Ų | 136.9 | 79% | 0.786 | 70% | 0.696 | S | S | * | * | trans | -77.3 | 38.8 | -179.8 | -144.6 | -1 | 0 | 0 | 0 | 113.3 | ||||
| 1177 | I | 46.8 | Very low | 45.5 | Very low | 137 Ų | 137 | 143.8 Ų | 143.8 | 70% | 0.703 | 71% | 0.712 | S | S | * | * | trans | -144.3 | 112.2 | -167.3 | -59.1 | -178.8 | 0 | 0 | 0 | 111.6 | L1175 | L1175-I1177 PolarHBondContact O-N 2.83Š| ||
| 1178 | L | 39.7 | Very low | 44.4 | Very low | 167 Ų | 167 | 142.3 Ų | 142.3 | 87% | 0.874 | 71% | 0.711 | S | S | * | * | trans | 82 | 125.9 | 164.9 | -63.6 | 163.5 | 0 | 0 | 0 | 119.9 | ||||
| 1179 | D | 35.1 | Very low | 43.9 | Very low | 151 Ų | 151 | 146.7 Ų | 146.7 | 81% | 0.807 | 73% | 0.733 | S | S | * | * | trans | -101.2 | 153.7 | -176.9 | -42.8 | -98.2 | 0 | 0 | 0 | 114.5 | ||||
| 1180 | I | 39.8 | Very low | 43.3 | Very low | 171 Ų | 171 | 145.2 Ų | 145.2 | 88% | 0.877 | 74% | 0.739 | S | S | * | * | trans | -150.9 | 124.1 | 149 | -52.8 | -178.7 | 0 | 0 | 0 | 111.1 | ||||
| 1181 | P | 41.1 | Very low | 42.9 | Very low | 107 Ų | 107 | 145.7 Ų | 145.7 | 70% | 0.695 | 74% | 0.744 | S | S | * | * | trans | -125.4 | 157.6 | 157.9 | 38.6 | -27.3 | 0 | 0 | 0 | 114 | ||||
| 1182 | N | 34.5 | Very low | 42.3 | Very low | 147 Ų | 147 | 150.2 Ų | 150.2 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | trans | -177.9 | 151.9 | 157.7 | -115.6 | 52 | 0 | 0 | 0 | 108.5 | ||||
| 1183 | E | 38.3 | Very low | 41.7 | Very low | 166 Ų | 166 | 153.4 Ų | 153.4 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | cis | 76.5 | 129.3 | 30.1 | -79.8 | -177.9 | -142.4 | 0 | 0 | 115.9 | ||||
| 1184 | T | 40.8 | Very low | 41.1 | Very low | 102 Ų | 102 | 148.1 Ų | 148.1 | 63% | 0.626 | 77% | 0.77 | S | S | * | * | cis | -126.6 | -125.9 | -9 | -39.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1185 | E | 38.8 | Very low | 40.8 | Very low | 171 Ų | 171 | 147.4 Ų | 147.4 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | cis | -151.1 | 150.2 | 1.8 | -61.2 | 162.2 | 112.9 | 0 | 0 | 105.1 | ||||
| 1186 | D | 41.6 | Very low | 40 | Very low | 131 Ų | 131 | 148.8 Ų | 148.8 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | cis | 101.8 | 141.6 | 24.2 | -77.2 | -21.8 | 0 | 0 | 0 | 117 | ||||
| 1187 | Y | 44.7 | Very low | 39.5 | Very low | 202 Ų | 202 | 151.3 Ų | 151.3 | 79% | 0.792 | 77% | 0.77 | S | S | * | * | trans | 140.7 | 82.6 | 159.8 | -76.9 | -55.6 | 0 | 0 | 0 | 117 | ||||
| 1188 | D | 41.8 | Very low | 38.8 | Very low | 132 Ų | 132 | 151.6 Ų | 151.6 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | 52 | 175.6 | 111.4 | -52.6 | -21.3 | 0 | 0 | 0 | 125.1 | |||||
| 1189 | D | 45.5 | Very low | 38.5 | Very low | 157 Ų | 157 | 150.2 Ų | 150.2 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | trans | 77.8 | 112.1 | -174.9 | -64.1 | -12.4 | 0 | 0 | 0 | 116.7 | ||||
| 1190 | D | 42.2 | Very low | 38.5 | Very low | 156 Ų | 156 | 150.3 Ų | 150.3 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | cis | 114.1 | 170 | 14.5 | -84.1 | -33.4 | 0 | 0 | 0 | 116.4 | ||||
| 1191 | D | 41.8 | Very low | 38.3 | Very low | 157 Ų | 157 | 150.4 Ų | 150.4 | 84% | 0.84 | 77% | 0.767 | S | S | * | * | trans | 78.7 | 71.6 | 175.8 | -83.5 | -1.5 | 0 | 0 | 0 | 121 | ||||
| 1192 | D | 40.4 | Very low | 37.9 | Very low | 144 Ų | 144 | 154.9 Ų | 154.9 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | 21.1 | 131.5 | 121.1 | -163.1 | 6.5 | 0 | 0 | 0 | 121.5 | G1194 | D1192-G1194 PolarHBondContact OD1-N 3.29Š| |||
| 1193 | N | 36 | Very low | 38 | Very low | 142 Ų | 142 | 157 Ų | 157 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | trans | -157.8 | 80.4 | 148.7 | -142.9 | -54.3 | 0 | 0 | 0 | 113.2 | ||||
| 1194 | G | 37.1 | Very low | 37.8 | Very low | 60 Ų | 60 | 160 Ų | 160 | 62% | 0.619 | 79% | 0.785 | S | S | * | * | trans | -83.3 | 109.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 117 | D1192 | D1192-G1194 PolarHBondContact OD1-N 3.29Š| ||
| 1195 | Y | 39 | Very low | 37.3 | Very low | 204 Ų | 204 | 165.2 Ų | 165.2 | 80% | 0.8 | 80% | 0.799 | S | S | * | * | trans | -122.2 | 91.5 | 167.5 | -85.1 | -77.7 | 0 | 0 | 0 | 114.8 | ||||
| 1196 | Q | 32.1 | Very low | 37.1 | Very low | 173 Ų | 173 | 162 Ų | 162 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | trans | 21.4 | 121.4 | 144.3 | -60.9 | 179.4 | -7.8 | 0 | 0 | 121.4 | ||||
| 1197 | R | 33.4 | Very low | 36.8 | Very low | 200 Ų | 200 | 165 Ų | 165 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | trans | 62.3 | 118.4 | 131.9 | -76.4 | 178.7 | 171.5 | -96 | 0.5 | 121.8 | ||||
| 1198 | E | 30.1 | Very low | 36.3 | Very low | 143 Ų | 143 | 163.1 Ų | 163.1 | 67% | 0.668 | 80% | 0.8 | S | S | * | * | 81.8 | 89.7 | 127.3 | -68.8 | 168.5 | 135.2 | 0 | 0 | 120.9 | |||||
| 1199 | V | 35.4 | Very low | 35.9 | Very low | 138 Ų | 138 | 164 Ų | 164 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | trans | 85.4 | 155.9 | 140.6 | -164.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1200 | I | 34.6 | Very low | 35.2 | Very low | 153 Ų | 153 | 163.2 Ų | 163.2 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | 83.8 | 100.8 | 175.1 | -45.8 | -178.4 | 0 | 0 | 0 | 115.8 | F1202 | I1200-F1202 PolarHBondContact O-N 2.61Š| ||
| 1201 | L | 36 | Very low | 35.2 | Very low | 174 Ų | 174 | 162.9 Ų | 162.9 | 91% | 0.911 | 80% | 0.798 | S | S | * | * | trans | -85.8 | 97.7 | 174.5 | -72.7 | 165.5 | 0 | 0 | 0 | 112.2 | ||||
| 1202 | F | 32.6 | Very low | 34.9 | Very low | 200 Ų | 200 | 162.8 Ų | 162.8 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | trans | -160.5 | 95.3 | 165.6 | -111 | -72.5 | 0 | 0 | 0 | 114.1 | I1200 | I1200-F1202 PolarHBondContact O-N 2.61Š| ||
| 1203 | Q | 35.2 | Very low | 35.1 | Very low | 192 Ų | 192 | 162.5 Ų | 162.5 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | trans | -158.3 | 106.5 | 156.5 | -123 | 174.2 | 102 | 0 | 0 | 117.2 | ||||
| 1204 | R | 34.4 | Very low | 35.3 | Very low | 230 Ų | 230 | 161 Ų | 161 | 87% | 0.868 | 80% | 0.802 | S | S | * | * | trans | 25.8 | 104 | 135.6 | -174.1 | -172.9 | -79.4 | 175.9 | -6.7 | 119.4 | ||||
| 1205 | K | 31.6 | Very low | 35.6 | Very low | 211 Ų | 211 | 164.3 Ų | 164.3 | 92% | 0.917 | 81% | 0.805 | S | S | * | * | trans | -168.5 | 71.6 | 131.4 | -108.8 | 173.6 | -176.9 | 177.9 | 0 | 111.4 | ||||
| 1206 | S | 32.7 | Very low | 36.3 | Very low | 102 Ų | 102 | 159.9 Ų | 159.9 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | trans | -159 | 178.2 | 175.2 | -173.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1207 | K | 35.8 | Very low | 37 | Very low | 194 Ų | 194 | 158.6 Ų | 158.6 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | trans | 79.1 | 112.1 | -164.9 | -56.5 | -174.1 | -179 | -170.4 | 0 | 111.9 | ||||
| 1208 | Q | 35.1 | Very low | 37.7 | Very low | 163 Ų | 163 | 153.9 Ų | 153.9 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | cis | 51.5 | 90 | 24 | -66.8 | 175 | -28.8 | 0 | 0 | 110.5 | ||||
| 1209 | N | 32.8 | Very low | 38.8 | Very low | 151 Ų | 151 | 154 Ų | 154 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | S | Bend | 57.6 | 129 | 82.1 | -161.7 | 7.4 | 0 | 0 | 0 | 111.6 | |||
| 1210 | I | 31.9 | Very low | 39.5 | Very low | 141 Ų | 141 | 154.5 Ų | 154.5 | 72% | 0.723 | 78% | 0.778 | S | S | * | * | trans | 76.9 | 135.4 | -168.1 | -47.1 | 159.7 | 0 | 0 | 0 | 114 | ||||
| 1211 | N | 40.2 | Very low | 39.9 | Very low | 149 Ų | 149 | 158.2 Ų | 158.2 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | 109.5 | 83.6 | 168.3 | -58.8 | -63.6 | 0 | 0 | 0 | 116.7 | ||||
| 1212 | D | 35.5 | Very low | 40.2 | Very low | 155 Ų | 155 | 157 Ų | 157 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | trans | -80.1 | 137.1 | 168.4 | -49 | -80.3 | 0 | 0 | 0 | 111.7 | ||||
| 1213 | T | 45.9 | Very low | 40.6 | Very low | 138 Ų | 138 | 157.1 Ų | 157.1 | 85% | 0.847 | 77% | 0.77 | S | S | * | * | trans | 163.9 | -20.2 | 157.3 | 27.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1214 | S | 39.5 | Very low | 40.9 | Very low | 111 Ų | 111 | 156.6 Ų | 156.6 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -96.3 | 12.8 | -160.3 | -167.1 | 0 | 0 | 0 | 0 | 117.5 | ||
| 1215 | N | 44.3 | Very low | 40.8 | Very low | 129 Ų | 129 | 148.6 Ų | 148.6 | 69% | 0.69 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -108.5 | -19.7 | -172.4 | -98.7 | -30.3 | 0 | 0 | 0 | 116.2 | ||
| 1216 | D | 53.1 | Low | 41 | Very low | 111 Ų | 111 | 148.2 Ų | 148.2 | 59% | 0.594 | 76% | 0.762 | S | S | * | * | H | α-helix | trans | -81.4 | -33.6 | -171 | -63.6 | -59.3 | 0 | 0 | 0 | 113.9 | V1218 K1219 Q1220 | D1216-V1218 PolarHBondContact O-N 2.69Å; D1216-V1218 VanDerWaalsContact O-N 3.09Å; D1216-K1219 PolarHBondContact O-N 3.29Å; D1216-Q1220 PolarHBondContact O-N 3.49Å |
| 1217 | L | 46.8 | Very low | 41.2 | Very low | 146 Ų | 146 | 148 Ų | 148 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | H | α-helix | trans | -62.5 | -17.1 | 176.7 | -79.9 | 165.3 | 0 | 0 | 0 | 114.1 | ||
| 1218 | V | 48.1 | Very low | 41.2 | Very low | 101 Ų | 101 | 147.2 Ų | 147.2 | 61% | 0.612 | 76% | 0.76 | S | S | * | * | H | α-helix | trans | -91.6 | -25 | 173.4 | -177.3 | 0 | 0 | 0 | 0 | 111.8 | D1216 | D1216-V1218 PolarHBondContact O-N 2.69Å; D1216-V1218 VanDerWaalsContact O-N 3.09Å |
| 1219 | K | 52.4 | Low | 41.2 | Very low | 144 Ų | 144 | 147 Ų | 147 | 63% | 0.626 | 77% | 0.765 | S | S | * | * | H | α-helix | trans | -82.3 | -16.2 | 178.1 | -82.7 | -175.3 | 174.2 | 178.9 | 0 | 114.9 | D1216 | D1216-K1219 PolarHBondContact O-N 3.29Å |
| 1220 | Q | 50 | Low | 41.5 | Very low | 150 Ų | 150 | 147.3 Ų | 147.3 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -83.7 | -29.1 | 173.2 | -81.8 | 179.7 | -42.1 | 0 | 0 | 113.5 | D1216 L1222 | D1216-Q1220 PolarHBondContact O-N 3.49Å; Q1220-L1222 VanDerWaalsContact C-N 3.3Å; Q1220-L1222 PolarHBondContact O-N 3.33Å |
| 1221 | R | 44 | Very low | 41.8 | Very low | 231 Ų | 231 | 149.3 Ų | 149.3 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | 15.4 | -176.2 | -80.2 | -170.6 | 166.2 | -142.9 | -4.2 | 115.7 | ||
| 1222 | L | 42.9 | Very low | 41.8 | Very low | 149 Ų | 149 | 149.9 Ų | 149.9 | 78% | 0.78 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.3 | 27.9 | -173 | -110.1 | 168.1 | 0 | 0 | 0 | 113.8 | Q1220 | Q1220-L1222 VanDerWaalsContact C-N 3.3Å; Q1220-L1222 PolarHBondContact O-N 3.33Å |
| 1223 | R | 40.5 | Very low | 42.1 | Very low | 201 Ų | 201 | 151.7 Ų | 151.7 | 76% | 0.758 | 78% | 0.78 | S | S | * | * | trans | -119.9 | 13 | -178.3 | -139.9 | -171.9 | -63.1 | -168.4 | 3.6 | 115.5 | ||||
| 1224 | I | 42.1 | Very low | 41.8 | Very low | 181 Ų | 181 | 151.5 Ų | 151.5 | 93% | 0.928 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -104.9 | 86.7 | 170.6 | -57.1 | 179.5 | 0 | 0 | 0 | 107.9 | ||
| 1225 | G | 32.2 | Very low | 41.9 | Very low | 62 Ų | 62 | 152.5 Ų | 152.5 | 64% | 0.639 | 77% | 0.771 | S | S | * | * | S | Bend | trans | 142.7 | 137.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1226 | Q | 34.4 | Very low | 41.6 | Very low | 203 Ų | 203 | 150.8 Ų | 150.8 | 95% | 0.949 | 77% | 0.768 | S | S | * | * | trans | 70.5 | 80.5 | 169 | -56.9 | -175.5 | -11.6 | 0 | 0 | 118.5 | ||||
| 1227 | S | 38.5 | Very low | 41.1 | Very low | 98 Ų | 98 | 155 Ų | 155 | 69% | 0.685 | 78% | 0.782 | S | S | * | * | trans | -158.3 | 106.7 | 136.6 | 56 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1228 | E | 35.7 | Very low | 40.6 | Very low | 177 Ų | 177 | 156.9 Ų | 156.9 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | 78 | 109.3 | 107.1 | -69 | 160.6 | 163.4 | 0 | 0 | 111.8 | |||||
| 1229 | N | 35.1 | Very low | 40 | Very low | 159 Ų | 159 | 161.6 Ų | 161.6 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | 53.6 | 59.8 | 55.7 | -65.2 | -22 | 0 | 0 | 0 | 114.2 | |||||
| 1230 | D | 38.5 | Very low | 39.5 | Very low | 157 Ų | 157 | 162.9 Ų | 162.9 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | trans | -164.7 | 99.7 | 142.2 | -109 | -23.9 | 0 | 0 | 0 | 112.2 | ||||
| 1231 | L | 38.4 | Very low | 38.9 | Very low | 184 Ų | 184 | 161.4 Ų | 161.4 | 96% | 0.963 | 80% | 0.804 | S | S | * | * | trans | -167.6 | 56.7 | 158.9 | -111 | 163.9 | 0 | 0 | 0 | 111.2 | ||||
| 1232 | L | 39.5 | Very low | 38.7 | Very low | 161 Ų | 161 | 155.5 Ų | 155.5 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | -111.4 | 108.8 | 171.5 | -96 | 169.8 | 0 | 0 | 0 | 110.2 | ||||
| 1233 | K | 41.9 | Very low | 38.5 | Very low | 192 Ų | 192 | 154.1 Ų | 154.1 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | -177.3 | 143.9 | 151.3 | -105.1 | 146.3 | -168.8 | 167 | 0 | 113.1 | ||||
| 1234 | N | 40.8 | Very low | 38.6 | Very low | 134 Ų | 134 | 150.8 Ų | 150.8 | 72% | 0.717 | 80% | 0.8 | S | S | * | * | trans | 66.5 | 128.9 | 165.5 | -49.2 | 0.4 | 0 | 0 | 0 | 115.2 | ||||
| 1235 | D | 40 | Very low | 38.3 | Very low | 133 Ų | 133 | 149.8 Ų | 149.8 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | cis | -149.2 | 130 | -10.2 | -100.2 | -46.6 | 0 | 0 | 0 | 107.7 | ||||
| 1236 | S | 38.6 | Very low | 38.5 | Very low | 92 Ų | 92 | 154.5 Ų | 154.5 | 64% | 0.643 | 81% | 0.805 | S | S | * | * | 88.6 | 100.7 | 70.7 | -62.8 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1237 | K | 42.3 | Very low | 38.8 | Very low | 201 Ų | 201 | 153.5 Ų | 153.5 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | trans | 97 | 137.6 | 175.3 | -55.5 | 158.1 | -172.4 | 173.3 | 0 | 113.8 | ||||
| 1238 | E | 36.5 | Very low | 38.7 | Very low | 184 Ų | 184 | 154.9 Ų | 154.9 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | cis | -141.4 | 170.7 | 3.4 | -155.8 | 147.9 | -170.4 | 0 | 0 | 113.7 | ||||
| 1239 | Y | 36.6 | Very low | 38.7 | Very low | 200 Ų | 200 | 150.4 Ų | 150.4 | 78% | 0.784 | 79% | 0.785 | S | S | * | * | trans | -67 | 158.7 | -172 | -77.8 | -174.5 | 0 | 0 | 0 | 115.1 | ||||
| 1240 | K | 40.9 | Very low | 38.7 | Very low | 171 Ų | 171 | 153.8 Ų | 153.8 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | cis | -159.8 | 164.6 | 1.2 | -118.9 | 169.4 | -177.6 | 175.9 | 0 | 111.3 | ||||
| 1241 | P | 38.2 | Very low | 38.7 | Very low | 120 Ų | 120 | 157.2 Ų | 157.2 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | trans | -117.8 | 171.3 | -163.6 | 42.5 | -33.9 | 0 | 0 | 0 | 116.7 | ||||
| 1242 | S | 38.5 | Very low | 38.5 | Very low | 107 Ų | 107 | 160 Ų | 160 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | -155.4 | 96.6 | 153.9 | 62.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1243 | T | 40 | Very low | 38.3 | Very low | 120 Ų | 120 | 156.3 Ų | 156.3 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | trans | 24.1 | 138 | 137.8 | 61.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1244 | P | 41.7 | Very low | 38 | Very low | 130 Ų | 130 | 155.4 Ų | 155.4 | 84% | 0.844 | 77% | 0.773 | S | S | * | * | -135.2 | 162.1 | 86.6 | 38.7 | -29 | 0 | 0 | 0 | 115.7 | |||||
| 1245 | I | 37.1 | Very low | 37.7 | Very low | 160 Ų | 160 | 154.2 Ų | 154.2 | 82% | 0.821 | 78% | 0.775 | S | S | * | * | trans | -92.3 | 135 | -177.7 | -66.3 | 163.8 | 0 | 0 | 0 | 110.6 | ||||
| 1246 | L | 34.9 | Very low | 37.6 | Very low | 162 Ų | 162 | 153.6 Ų | 153.6 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | trans | -92.3 | 136.5 | 159.8 | -77.6 | 165.9 | 0 | 0 | 0 | 109.9 | ||||
| 1247 | K | 40.4 | Very low | 37.3 | Very low | 182 Ų | 182 | 157.1 Ų | 157.1 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | -176.2 | 148.1 | 130.4 | -104.3 | 176.8 | -178.3 | -173.4 | 0 | 115.3 | ||||
| 1248 | D | 37.3 | Very low | 36.8 | Very low | 127 Ų | 127 | 152.7 Ų | 152.7 | 68% | 0.679 | 78% | 0.781 | S | S | * | * | trans | 64.3 | 90.6 | 144.6 | -54.1 | -19.3 | 0 | 0 | 0 | 122.7 | ||||
| 1249 | S | 35 | Very low | 36.9 | Very low | 83 Ų | 83 | 151 Ų | 151 | 58% | 0.58 | 78% | 0.778 | S | S | * | * | 66.6 | 118.7 | 118 | 81.5 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 1250 | R | 36.3 | Very low | 37 | Very low | 230 Ų | 230 | 149.7 Ų | 149.7 | 87% | 0.868 | 78% | 0.782 | S | S | * | * | -177.5 | 151.9 | 89.8 | -109.8 | 162.3 | -82.6 | -161.6 | -8 | 113.9 | |||||
| 1251 | Y | 37.9 | Very low | 36.8 | Very low | 228 Ų | 228 | 144.4 Ų | 144.4 | 89% | 0.894 | 78% | 0.777 | S | S | * | * | trans | -66.3 | 138.5 | 166.1 | -79.8 | -115.3 | 0 | 0 | 0 | 111.3 | ||||
| 1252 | R | 34.2 | Very low | 36.8 | Very low | 243 Ų | 243 | 149.9 Ų | 149.9 | 92% | 0.917 | 78% | 0.782 | S | S | * | * | -165.4 | 169 | 114.6 | -112.2 | 177.6 | -179.6 | -107.5 | -0.2 | 113.9 | |||||
| 1253 | S | 35.1 | Very low | 36.9 | Very low | 84 Ų | 84 | 152.7 Ų | 152.7 | 59% | 0.587 | 79% | 0.787 | S | S | * | * | trans | -74.6 | 159.9 | -158.1 | -26.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1254 | E | 34.9 | Very low | 36.8 | Very low | 172 Ų | 172 | 152.7 Ų | 152.7 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | 67.9 | 104.1 | 138.5 | -71.1 | 166.1 | 121.6 | 0 | 0 | 121.3 | ||||
| 1255 | S | 35.3 | Very low | 36.6 | Very low | 109 Ų | 109 | 155.7 Ų | 155.7 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | 87.4 | 167.9 | 127.2 | 80.7 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 1256 | V | 38.2 | Very low | 36.7 | Very low | 120 Ų | 120 | 156.5 Ų | 156.5 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | 72.2 | 92.3 | 172.3 | -168.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1257 | L | 32.5 | Very low | 36.9 | Very low | 167 Ų | 167 | 154 Ų | 154 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | trans | 68.6 | 137.6 | 140.2 | -62.2 | 173.3 | 0 | 0 | 0 | 121.7 | ||||
| 1258 | S | 31.9 | Very low | 36.7 | Very low | 107 Ų | 107 | 151.2 Ų | 151.2 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | trans | -60.6 | 146.8 | 165.7 | -30.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1259 | N | 38.8 | Very low | 36.7 | Very low | 149 Ų | 149 | 152.5 Ų | 152.5 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | -172.6 | 163.7 | 121.5 | -103.6 | -35.4 | 0 | 0 | 0 | 114.4 | |||||
| 1260 | I | 38.3 | Very low | 36.7 | Very low | 172 Ų | 172 | 159.2 Ų | 159.2 | 88% | 0.882 | 78% | 0.783 | S | S | * | * | trans | 68.2 | 132 | 165.1 | -61 | 145.1 | 0 | 0 | 0 | 116.3 | ||||
| 1261 | G | 36.2 | Very low | 36.7 | Very low | 60 Ų | 60 | 152.2 Ų | 152.2 | 62% | 0.619 | 77% | 0.769 | S | S | * | * | trans | -156.9 | -174.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1262 | R | 38.3 | Very low | 36.8 | Very low | 235 Ų | 235 | 147.9 Ų | 147.9 | 89% | 0.887 | 76% | 0.761 | S | S | * | * | trans | 72.2 | 118.8 | -173.1 | -54.3 | 176.5 | 172.6 | 179.5 | -2 | 115.6 | ||||
| 1263 | I | 40.4 | Very low | 36.9 | Very low | 167 Ų | 167 | 142.7 Ų | 142.7 | 86% | 0.856 | 75% | 0.751 | S | S | * | * | 176.5 | 144.5 | 124.9 | -93.6 | 153.7 | 0 | 0 | 0 | 107 | |||||
| 1264 | H | 38.8 | Very low | 37.1 | Very low | 120 Ų | 120 | 146.9 Ų | 146.9 | 56% | 0.556 | 77% | 0.768 | S | S | * | * | cis | -175.4 | 133.5 | -36.2 | -133.5 | 9.5 | 0 | 0 | 0 | 107.6 | ||||
| 1265 | R | 37.6 | Very low | 37.2 | Very low | 193 Ų | 193 | 146.1 Ų | 146.1 | 73% | 0.728 | 76% | 0.763 | S | S | * | * | trans | 67.5 | 162.9 | 145.2 | -64.7 | 174 | 177.5 | 174.7 | 2.1 | 117.2 | ||||
| 1266 | K | 38.5 | Very low | 37.3 | Very low | 176 Ų | 176 | 148.6 Ų | 148.6 | 77% | 0.765 | 77% | 0.766 | S | S | * | * | cis | -160.6 | 179 | -3.8 | -129.2 | 179.4 | 177.8 | -165.3 | 0 | 111.8 | ||||
| 1267 | S | 38 | Very low | 37.1 | Very low | 111 Ų | 111 | 148.9 Ų | 148.9 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | trans | 93.2 | 154.4 | 155.7 | 77.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1268 | T | 36 | Very low | 37.3 | Very low | 123 Ų | 123 | 148.2 Ų | 148.2 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | 168.5 | 131.4 | -57.5 | -83.8 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 1269 | I | 38.1 | Very low | 37.5 | Very low | 154 Ų | 154 | 150 Ų | 150 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | trans | 174.9 | 119.5 | 155.8 | -96.6 | 150 | 0 | 0 | 0 | 105.2 | ||||
| 1270 | R | 35.6 | Very low | 37.2 | Very low | 224 Ų | 224 | 145.5 Ų | 145.5 | 85% | 0.845 | 75% | 0.75 | S | S | * | * | 62.2 | 138.3 | 80.6 | -80.9 | -169.9 | -178.2 | -154.1 | 1 | 114 | |||||
| 1271 | S | 36.7 | Very low | 37.1 | Very low | 82 Ų | 82 | 143.1 Ų | 143.1 | 57% | 0.573 | 74% | 0.743 | S | S | * | * | cis | -174.5 | -178.8 | -15 | 45.5 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1272 | D | 38.6 | Very low | 37 | Very low | 137 Ų | 137 | 149.3 Ų | 149.3 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | cis | -136.3 | -96.8 | 16.3 | -77.6 | -86.6 | 0 | 0 | 0 | 114 | ||||
| 1273 | N | 36.7 | Very low | 36.9 | Very low | 134 Ų | 134 | 143.3 Ų | 143.3 | 72% | 0.717 | 74% | 0.742 | S | S | * | * | trans | -133.1 | 147.8 | -159.9 | -48.9 | -59.3 | 0 | 0 | 0 | 115.7 | ||||
| 1274 | N | 40.1 | Very low | 36.7 | Very low | 173 Ų | 173 | 143.8 Ų | 143.8 | 93% | 0.925 | 74% | 0.738 | S | S | * | * | -156.2 | 146.8 | 118.3 | -119 | -9.7 | 0 | 0 | 0 | 110.6 | |||||
| 1275 | H | 36 | Very low | 36.4 | Very low | 155 Ų | 155 | 142.7 Ų | 142.7 | 72% | 0.718 | 74% | 0.744 | S | S | * | * | trans | -103.4 | 134.7 | -175.3 | -85.5 | -85.7 | 0 | 0 | 0 | 112.7 | ||||
| 1276 | I | 38.6 | Very low | 36.3 | Very low | 161 Ų | 161 | 138.8 Ų | 138.8 | 83% | 0.826 | 75% | 0.746 | S | S | * | * | trans | -146.8 | 139.5 | 136.2 | -96.4 | 152.4 | 0 | 0 | 0 | 105.8 | ||||
| 1277 | N | 33.7 | Very low | 36.1 | Very low | 127 Ų | 127 | 138 Ų | 138 | 68% | 0.679 | 75% | 0.747 | S | S | * | * | trans | -93.6 | 120.1 | -174.8 | -71.6 | -23.2 | 0 | 0 | 0 | 111.2 | ||||
| 1278 | I | 37.4 | Very low | 36 | Very low | 153 Ų | 153 | 139.4 Ų | 139.4 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | trans | -133.6 | 107.7 | 159.4 | -56.8 | -179.6 | 0 | 0 | 0 | 107.5 | G1280 | I1278-G1280 PolarHBondContact O-N 2.89Š| ||
| 1279 | N | 34.9 | Very low | 35.9 | Very low | 144 Ų | 144 | 142 Ų | 142 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | trans | -97.4 | 61.1 | -174.3 | -86.1 | -22.5 | 0 | 0 | 0 | 112.3 | T1281 | N1279-T1281 PolarHBondContact O-N 3.23Š| ||
| 1280 | G | 32.5 | Very low | 35.8 | Very low | 54 Ų | 54 | 143.9 Ų | 143.9 | 56% | 0.557 | 76% | 0.757 | S | S | * | * | trans | -75 | 90.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | I1278 R1282 | I1278-G1280 PolarHBondContact O-N 2.89Å; G1280-R1282 VanDerWaalsContact C-N 3.26Å; G1280-R1282 PolarHBondContact O-N 3.45Å | ||
| 1281 | T | 36.5 | Very low | 35.7 | Very low | 123 Ų | 123 | 138.6 Ų | 138.6 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | trans | -79.3 | 60.7 | -177.9 | 47.7 | 0 | 0 | 0 | 0 | 114.2 | N1279 S1283 | N1279-T1281 PolarHBondContact O-N 3.23Å; T1281-S1283 PolarHBondContact O-N 2.87Å; T1281-S1283 PolarHBondContact O-OG 3.35Å | ||
| 1282 | R | 33.9 | Very low | 35.7 | Very low | 190 Ų | 190 | 142.6 Ų | 142.6 | 72% | 0.717 | 77% | 0.769 | S | S | * | * | trans | -71.1 | 80.2 | -175.6 | -158.1 | 171.2 | -167.2 | -173.7 | 5.3 | 113.5 | E881 G1280 K1284 | E881-R1282 IonicContact OE1-NH2 2.93Å; G1280-R1282 VanDerWaalsContact C-N 3.26Å; G1280-R1282 PolarHBondContact O-N 3.45Å; R1282-K1284 PolarHBondContact O-N 2.82Å | ||
| 1283 | S | 35.3 | Very low | 35.5 | Very low | 108 Ų | 108 | 139.6 Ų | 139.6 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | trans | -79.9 | 78.3 | -172.5 | -64.7 | 0 | 0 | 0 | 0 | 113.8 | T1281 S1285 | T1281-S1283 PolarHBondContact O-N 2.87Å; T1281-S1283 PolarHBondContact O-OG 3.35Å; S1283-S1285 PolarHBondContact O-N 3.23Å | ||
| 1284 | K | 36.5 | Very low | 35.5 | Very low | 177 Ų | 177 | 141.7 Ų | 141.7 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | trans | -63.8 | 95.6 | 173.4 | -71.3 | -169.7 | 174.4 | -172 | 0 | 112.3 | R1282 S1286 | R1282-K1284 PolarHBondContact O-N 2.82Å; K1284-S1286 PolarHBondContact O-N 3.46Å | ||
| 1285 | S | 32.6 | Very low | 35.3 | Very low | 98 Ų | 98 | 143 Ų | 143 | 69% | 0.685 | 78% | 0.778 | S | S | * | * | trans | -88.4 | 61.3 | 176.8 | -179.2 | 0 | 0 | 0 | 0 | 113.1 | S1283 M1287 | S1283-S1285 PolarHBondContact O-N 3.23Å; S1285-M1287 PolarHBondContact O-N 3.19Å; S1285-M1287 VanDerWaalsContact O-N 3.16Å | ||
| 1286 | S | 35.2 | Very low | 35 | Very low | 110 Ų | 110 | 141.3 Ų | 141.3 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | -71.2 | 104.1 | 173.8 | 55.8 | 0 | 0 | 0 | 0 | 111.6 | K1284 | K1284-S1286 PolarHBondContact O-N 3.46Š| ||
| 1287 | M | 36 | Very low | 34.9 | Very low | 160 Ų | 160 | 138.6 Ų | 138.6 | 79% | 0.788 | 78% | 0.779 | S | S | * | * | trans | -117.4 | 92.9 | 176.7 | -72.3 | -144.2 | -165 | 0 | 0 | 114.1 | S1285 | S1285-M1287 PolarHBondContact O-N 3.19Å; S1285-M1287 VanDerWaalsContact O-N 3.16Å | ||
| 1288 | N | 34.6 | Very low | 35 | Very low | 140 Ų | 140 | 138.1 Ų | 138.1 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | trans | 43.9 | 85.2 | 144.5 | -64.6 | -79.8 | 0 | 0 | 0 | 118.1 | K1290 | N1288-K1290 PolarHBondContact O-N 3.42Š| ||
| 1289 | L | 35.2 | Very low | 34.8 | Very low | 177 Ų | 177 | 138.6 Ų | 138.6 | 93% | 0.927 | 78% | 0.784 | S | S | * | * | trans | -61 | 126.9 | 148.3 | -76.3 | 170 | 0 | 0 | 0 | 109.4 | ||||
| 1290 | K | 34.9 | Very low | 34.8 | Very low | 195 Ų | 195 | 136.7 Ų | 136.7 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | trans | -105.2 | 81.8 | 171.5 | -78.6 | -175.9 | 175 | 177.8 | 0 | 110.4 | N1288 | N1288-K1290 PolarHBondContact O-N 3.42Š| ||
| 1291 | S | 35 | Very low | 35 | Very low | 112 Ų | 112 | 141.2 Ų | 141.2 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | -83.3 | 124 | 158.3 | 43.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1292 | N | 36.8 | Very low | 34.8 | Very low | 167 Ų | 167 | 143.2 Ų | 143.2 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | trans | -156.3 | 129.5 | -178.1 | -126.9 | -2.3 | 0 | 0 | 0 | 110.7 | ||||
| 1293 | G | 33 | Very low | 34.9 | Very low | 73 Ų | 73 | 140.4 Ų | 140.4 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | trans | 93.2 | 71.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1294 | L | 36.2 | Very low | 34.9 | Very low | 178 Ų | 178 | 142.4 Ų | 142.4 | 93% | 0.932 | 80% | 0.795 | S | S | * | * | trans | -53.9 | 142.1 | 154.7 | -72.8 | 164.5 | 0 | 0 | 0 | 110.6 | ||||
| 1295 | K | 37.1 | Very low | 35 | Very low | 202 Ų | 202 | 142.2 Ų | 142.2 | 88% | 0.878 | 80% | 0.795 | S | S | * | * | trans | -139.4 | 96.8 | 158.7 | -77 | -165.9 | 175.3 | -174.3 | 0 | 110 | ||||
| 1296 | S | 30.4 | Very low | 35 | Very low | 118 Ų | 118 | 145 Ų | 145 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | -83.3 | 140.4 | 162.2 | 176.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1297 | S | 36.1 | Very low | 35.1 | Very low | 105 Ų | 105 | 147 Ų | 147 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | -144.8 | 96.4 | 168.2 | -72.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1298 | T | 35.6 | Very low | 35.2 | Very low | 117 Ų | 117 | 148.6 Ų | 148.6 | 72% | 0.718 | 80% | 0.797 | S | S | * | * | trans | 50.7 | 107.4 | 140.1 | 58.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1299 | N | 32.1 | Very low | 35.3 | Very low | 162 Ų | 162 | 149.3 Ų | 149.3 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | 30.4 | 126.8 | 124.2 | -49.6 | 2.6 | 0 | 0 | 0 | 119.7 | |||||
| 1300 | S | 35 | Very low | 35.4 | Very low | 104 Ų | 104 | 148.2 Ų | 148.2 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | -175.9 | 168.8 | 104.3 | -160.7 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 1301 | L | 37.6 | Very low | 35.4 | Very low | 150 Ų | 150 | 143.7 Ų | 143.7 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | 66.9 | 108.2 | 175.9 | -48.7 | 179 | 0 | 0 | 0 | 114 | ||||
| 1302 | Q | 32.3 | Very low | 35.5 | Very low | 165 Ų | 165 | 149 Ų | 149 | 77% | 0.771 | 78% | 0.783 | S | S | * | * | cis | 85.1 | 131 | 28.1 | -156 | 178.4 | 7.7 | 0 | 0 | 113.8 | ||||
| 1303 | T | 36.3 | Very low | 35.5 | Very low | 130 Ų | 130 | 148 Ų | 148 | 80% | 0.798 | 78% | 0.778 | S | S | * | * | trans | 64.1 | 144.8 | -169.2 | 54.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 1304 | E | 35.6 | Very low | 35.5 | Very low | 151 Ų | 151 | 149.2 Ų | 149.2 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | cis | -154.9 | 172.9 | 16.3 | -145.1 | 166.4 | -158.7 | 0 | 0 | 112.3 | ||||
| 1305 | F | 36.9 | Very low | 35.6 | Very low | 173 Ų | 173 | 148 Ų | 148 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | trans | 63.3 | 73.6 | 166.4 | -63.3 | -68.2 | 0 | 0 | 0 | 122.4 | ||||
| 1306 | Q | 34.1 | Very low | 35.6 | Very low | 157 Ų | 157 | 144.2 Ų | 144.2 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | 33 | 138.8 | 104.1 | -169.2 | 162.5 | -16.7 | 0 | 0 | 122.5 | |||||
| 1307 | E | 36.3 | Very low | 35.9 | Very low | 150 Ų | 150 | 147.1 Ų | 147.1 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | trans | 66.4 | 121.4 | 165.4 | -77.1 | 161.5 | -136.7 | 0 | 0 | 117.6 | ||||
| 1308 | K | 39 | Very low | 36.1 | Very low | 195 Ų | 195 | 151.5 Ų | 151.5 | 85% | 0.848 | 77% | 0.769 | S | S | * | * | cis | -143.7 | 159.1 | 43 | -70.1 | 175.8 | 177.9 | 173.1 | 0 | 115.9 | ||||
| 1309 | H | 36 | Very low | 36.3 | Very low | 155 Ų | 155 | 154.6 Ų | 154.6 | 72% | 0.718 | 78% | 0.775 | S | S | * | * | trans | -67.2 | 169.9 | 161.4 | -71.6 | -128.5 | 0 | 0 | 0 | 111.3 | ||||
| 1310 | E | 36.6 | Very low | 36.5 | Very low | 154 Ų | 154 | 154.2 Ų | 154.2 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | cis | -165.4 | 158.2 | 3.8 | -129.5 | 154 | -153.9 | 0 | 0 | 110.4 | ||||
| 1311 | S | 36.3 | Very low | 36.8 | Very low | 100 Ų | 100 | 158.5 Ų | 158.5 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | trans | 62.3 | 156.5 | 163.9 | 71 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1312 | Y | 37 | Very low | 36.6 | Very low | 223 Ų | 223 | 164.3 Ų | 164.3 | 88% | 0.875 | 81% | 0.805 | S | S | * | * | cis | -119 | 162.6 | 8.3 | -92.8 | -105.4 | 0 | 0 | 0 | 112.9 | ||||
| 1313 | D | 35.5 | Very low | 36.8 | Very low | 147 Ų | 147 | 164.3 Ų | 164.3 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | trans | -139.1 | 162.3 | 167.6 | -159 | -9.9 | 0 | 0 | 0 | 108.5 | ||||
| 1314 | S | 33.3 | Very low | 36.8 | Very low | 97 Ų | 97 | 166.1 Ų | 166.1 | 68% | 0.678 | 81% | 0.807 | S | S | * | * | trans | 53.1 | 112.7 | 175.1 | 58.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1315 | D | 38.2 | Very low | 36.9 | Very low | 152 Ų | 152 | 166.9 Ų | 166.9 | 81% | 0.813 | 81% | 0.813 | S | S | * | * | trans | 166.3 | 141 | 133.2 | -88 | -12.6 | 0 | 0 | 0 | 109.1 | ||||
| 1316 | T | 37.7 | Very low | 36.9 | Very low | 123 Ų | 123 | 166.6 Ų | 166.6 | 76% | 0.755 | 82% | 0.816 | S | S | * | * | cis | -151.9 | 160 | -3.2 | 2.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1317 | Q | 36.3 | Very low | 37 | Very low | 180 Ų | 180 | 167.2 Ų | 167.2 | 84% | 0.841 | 82% | 0.821 | S | S | * | * | trans | -96.1 | 165.8 | 157.2 | -77.4 | -171.9 | -45.7 | 0 | 0 | 110.5 | ||||
| 1318 | K | 41.1 | Very low | 37.1 | Very low | 197 Ų | 197 | 168.3 Ų | 168.3 | 86% | 0.857 | 83% | 0.829 | S | S | * | * | trans | 84.1 | 151.2 | -172 | -52.5 | 174 | -178.4 | -180 | 0 | 111.9 | ||||
| 1319 | E | 38.7 | Very low | 36.9 | Very low | 182 Ų | 182 | 166.4 Ų | 166.4 | 85% | 0.85 | 83% | 0.828 | S | S | * | * | cis | -122.3 | 157.3 | 18.6 | -69.5 | 168.3 | 137.7 | 0 | 0 | 114.2 | ||||
| 1320 | N | 37.4 | Very low | 37 | Very low | 154 Ų | 154 | 167.3 Ų | 167.3 | 82% | 0.824 | 84% | 0.837 | S | S | * | * | trans | -90.7 | 142.3 | 153 | -68.3 | -6.8 | 0 | 0 | 0 | 106.7 | ||||
| 1321 | E | 40.8 | Very low | 37.1 | Very low | 193 Ų | 193 | 168.4 Ų | 168.4 | 90% | 0.902 | 85% | 0.846 | S | S | * | * | trans | 166.6 | 69.6 | 137.1 | -93.2 | 172.9 | -161.2 | 0 | 0 | 111.6 | ||||
| 1322 | Q | 32.5 | Very low | 37.1 | Very low | 273 Ų | 273 | 174.6 Ų | 174.6 | 100% | 1.276 | 86% | 0.86 | S | S | * | * | trans | -160.5 | 0 | 141.1 | -110.1 | 172.5 | -1 | 0 | 0 | 109.1 |
Retrieved 1,322 of 1,322 residues in 258.4 ms
(Link to these results)