| 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 | 38 | Very low | 34.8 | Very low | 214 Ų | 214 | 136.8 Ų | 136.8 | 100% | 1.054 | 75% | 0.752 | S | S | * | * | 0 | 48.9 | 0 | -53.8 | 173.5 | -167.2 | 0 | 0 | 107.4 | |||||
| 2 | E | 36.3 | Very low | 34.4 | Very low | 154 Ų | 154 | 136 Ų | 136 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | 85.6 | 116.2 | 71.3 | -73 | 140 | 154.9 | 0 | 0 | 107.6 | |||||
| 3 | T | 36.3 | Very low | 34.2 | Very low | 115 Ų | 115 | 135.9 Ų | 135.9 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | 61.1 | 136.7 | 56 | 84.8 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 4 | D | 34.9 | Very low | 33.9 | Very low | 133 Ų | 133 | 137.5 Ų | 137.5 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | cis | -137.3 | 157 | 12.6 | -77.2 | -76.8 | 0 | 0 | 0 | 108.4 | ||||
| 5 | A | 36.8 | Very low | 34 | Very low | 82 Ų | 82 | 138.9 Ų | 138.9 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | cis | 77.2 | 154.6 | 49.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 6 | I | 37.9 | Very low | 33.8 | Very low | 161 Ų | 161 | 140.3 Ų | 140.3 | 83% | 0.826 | 77% | 0.768 | S | S | * | * | trans | 75.8 | 117.1 | 178.3 | -49.4 | 171.1 | 0 | 0 | 0 | 113 | ||||
| 7 | D | 34.7 | Very low | 33.8 | Very low | 137 Ų | 137 | 138.3 Ų | 138.3 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | cis | 86.9 | 144.9 | 41.3 | -164.5 | 21.6 | 0 | 0 | 0 | 113.9 | ||||
| 8 | G | 29.9 | Very low | 35 | Very low | 71 Ų | 71 | 136.3 Ų | 136.3 | 73% | 0.732 | 76% | 0.761 | S | S | * | * | trans | -173.2 | 65.8 | -161.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 9 | Y | 32 | Very low | 34.7 | Very low | 184 Ų | 184 | 139.2 Ų | 139.2 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | trans | -55.8 | 146.6 | 167.4 | -89 | -118.3 | 0 | 0 | 0 | 113.9 | T11 | Y9-T11 HydrophobicContact CD1-CG2 4.08Å; Y9-T11 HydrophobicContact CE1-CG2 4.37Å | ||
| 10 | I | 33 | Very low | 34.3 | Very low | 160 Ų | 160 | 135.9 Ų | 135.9 | 82% | 0.821 | 77% | 0.768 | S | S | * | * | -137.8 | 126.1 | 129.8 | -64.7 | -170.6 | 0 | 0 | 0 | 108.9 | |||||
| 11 | T | 32.8 | Very low | 34.2 | Very low | 94 Ų | 94 | 137.4 Ų | 137.4 | 58% | 0.577 | 77% | 0.768 | S | S | * | * | trans | -106 | 156.3 | 166.4 | 45 | 0 | 0 | 0 | 0 | 110.5 | Y9 | Y9-T11 HydrophobicContact CD1-CG2 4.08Å; Y9-T11 HydrophobicContact CE1-CG2 4.37Å | ||
| 12 | C | 29.8 | Very low | 34 | Very low | 127 Ų | 127 | 135.1 Ų | 135.1 | 86% | 0.858 | 76% | 0.755 | S | S | * | * | trans | -147.7 | 78.8 | 171.5 | -81 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 13 | D | 31.9 | Very low | 33.7 | Very low | 135 Ų | 135 | 131.2 Ų | 131.2 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | trans | -82 | 152.1 | 167.5 | -63.1 | -70.3 | 0 | 0 | 0 | 111.3 | ||||
| 14 | N | 29.8 | Very low | 33.4 | Very low | 158 Ų | 158 | 132 Ų | 132 | 85% | 0.845 | 75% | 0.749 | S | S | * | * | trans | -171.8 | 100.2 | 140.2 | -98.7 | -35.7 | 0 | 0 | 0 | 111.3 | ||||
| 15 | E | 36.1 | Very low | 33.2 | Very low | 158 Ų | 158 | 133.8 Ų | 133.8 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | 13.7 | 129.1 | 125.9 | -61.5 | -68.9 | 119.3 | 0 | 0 | 118 | |||||
| 16 | L | 30.3 | Very low | 33.3 | Very low | 161 Ų | 161 | 134.5 Ų | 134.5 | 84% | 0.843 | 76% | 0.761 | S | S | * | * | -168.9 | 144.9 | 106.7 | -122.2 | 79.7 | 0 | 0 | 0 | 113.7 | |||||
| 17 | S | 34.1 | Very low | 33 | Very low | 107 Ų | 107 | 135.1 Ų | 135.1 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | trans | -144.8 | 178.2 | 160.9 | -77.5 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 18 | P | 54.9 | Low | 32.9 | Very low | 103 Ų | 103 | 135.1 Ų | 135.1 | 67% | 0.669 | 76% | 0.764 | S | S | * | * | cis | -143.2 | -151.5 | 19.6 | 39.9 | -15.4 | 0 | 0 | 0 | 114.1 | ||||
| 19 | E | 29.3 | Very low | 32.9 | Very low | 190 Ų | 190 | 138 Ų | 138 | 89% | 0.888 | 76% | 0.762 | S | S | * | * | trans | 67.7 | 142.2 | 163.2 | -67.5 | 158.9 | -155.2 | 0 | 0 | 117 | ||||
| 20 | G | 27.8 | Very low | 32.8 | Very low | 74 Ų | 74 | 135.5 Ų | 135.5 | 76% | 0.763 | 77% | 0.766 | S | S | * | * | cis | -156.3 | -157 | -8.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 21 | E | 30.9 | Very low | 32.6 | Very low | 167 Ų | 167 | 132.6 Ų | 132.6 | 78% | 0.78 | 76% | 0.76 | S | S | * | * | cis | -171.4 | 156.2 | -6.5 | -146.9 | 178.3 | -146.2 | 0 | 0 | 108.1 | ||||
| 22 | H | 34.6 | Very low | 32.6 | Very low | 166 Ų | 166 | 132.3 Ų | 132.3 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | trans | 60.4 | 153.6 | 162.9 | -74 | -61.5 | 0 | 0 | 0 | 120.4 | ||||
| 23 | A | 30 | Very low | 32.8 | Very low | 73 Ų | 73 | 132.7 Ų | 132.7 | 60% | 0.603 | 76% | 0.76 | S | S | * | * | cis | -161.3 | 147.2 | -19.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 24 | N | 29.8 | Very low | 33.8 | Very low | 131 Ų | 131 | 131 Ų | 131 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | trans | 53.2 | 137.8 | 133.7 | -69.5 | -11.2 | 0 | 0 | 0 | 125.7 | ||||
| 25 | M | 31.9 | Very low | 33.9 | Very low | 171 Ų | 171 | 131.1 Ų | 131.1 | 84% | 0.842 | 76% | 0.757 | S | S | * | * | trans | 82.6 | 119.4 | 137.6 | -73.5 | 162.6 | -170.3 | 0 | 0 | 120.7 | ||||
| 26 | A | 36.9 | Very low | 33.6 | Very low | 97 Ų | 97 | 126.7 Ų | 126.7 | 80% | 0.802 | 75% | 0.754 | S | S | * | * | trans | -87.7 | 153.5 | 157.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 27 | I | 33.4 | Very low | 33.6 | Very low | 174 Ų | 174 | 127.5 Ų | 127.5 | 89% | 0.892 | 75% | 0.754 | S | S | * | * | trans | -137.3 | 157.9 | 159.3 | -47.1 | 178.3 | 0 | 0 | 0 | 107.1 | ||||
| 28 | D | 30.7 | Very low | 33.5 | Very low | 136 Ų | 136 | 131.2 Ų | 131.2 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | -125.8 | 179.2 | -160.3 | -175.2 | 19.1 | 0 | 0 | 0 | 111.9 | ||||
| 29 | L | 30.5 | Very low | 32.3 | Very low | 131 Ų | 131 | 130.5 Ų | 130.5 | 69% | 0.686 | 76% | 0.761 | S | S | * | * | trans | 88.8 | 133.9 | 156.8 | -56.2 | 176.4 | 0 | 0 | 0 | 121.9 | ||||
| 30 | T | 29.8 | Very low | 32.5 | Very low | 133 Ų | 133 | 127 Ų | 127 | 82% | 0.816 | 76% | 0.758 | S | S | * | * | trans | 69.7 | 154.3 | 147.9 | 56.2 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 31 | S | 29.9 | Very low | 33.3 | Very low | 98 Ų | 98 | 129.6 Ų | 129.6 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | cis | -168.7 | 167.3 | -34.4 | 59.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 32 | S | 31.8 | Very low | 33.2 | Very low | 88 Ų | 88 | 126 Ų | 126 | 62% | 0.615 | 76% | 0.755 | S | S | * | * | trans | 65 | 97.8 | 148.5 | 50.1 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 33 | T | 34.9 | Very low | 33 | Very low | 135 Ų | 135 | 125.5 Ų | 125.5 | 83% | 0.828 | 75% | 0.752 | S | S | * | * | 58.2 | 168.8 | 113 | 50 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 34 | P | 52.7 | Low | 32.8 | Very low | 99 Ų | 99 | 128.8 Ų | 128.8 | 64% | 0.643 | 76% | 0.757 | S | S | * | * | cis | -141 | -175.7 | 14.4 | 45.8 | -27 | 0 | 0 | 0 | 119.5 | ||||
| 35 | N | 30.6 | Very low | 32.6 | Very low | 162 Ų | 162 | 128 Ų | 128 | 87% | 0.866 | 76% | 0.757 | S | S | * | * | trans | 77.5 | 132 | 160.3 | -61.9 | -20.5 | 0 | 0 | 0 | 119.9 | ||||
| 36 | G | 30.1 | Very low | 32.5 | Very low | 65 Ų | 65 | 124.6 Ų | 124.6 | 67% | 0.67 | 75% | 0.75 | S | S | * | * | cis | 169.9 | 162.4 | -11.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 37 | Q | 31.9 | Very low | 32 | Very low | 178 Ų | 178 | 125.5 Ų | 125.5 | 83% | 0.832 | 75% | 0.746 | S | S | * | * | trans | 67.1 | 111.7 | 159.7 | -51.5 | -168.7 | 0.3 | 0 | 0 | 117.3 | ||||
| 38 | H | 31.6 | Very low | 31.7 | Very low | 185 Ų | 185 | 123.9 Ų | 123.9 | 86% | 0.856 | 74% | 0.739 | S | S | * | * | 67.6 | 140.9 | 86.3 | -67.3 | -63.2 | 0 | 0 | 0 | 115 | |||||
| 39 | A | 29.3 | Very low | 31.9 | Very low | 87 Ų | 87 | 123.3 Ų | 123.3 | 72% | 0.719 | 75% | 0.745 | S | S | * | * | cis | -167.8 | 162.1 | -19.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 40 | S | 34.2 | Very low | 31.7 | Very low | 116 Ų | 116 | 123.7 Ų | 123.7 | 81% | 0.811 | 75% | 0.753 | S | S | * | * | trans | -67.3 | 165.6 | 172.2 | -43.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 41 | P | 44.3 | Very low | 31.5 | Very low | 129 Ų | 129 | 125.2 Ų | 125.2 | 84% | 0.838 | 75% | 0.749 | S | S | * | * | -139 | -174.1 | 111 | 39.7 | -28.9 | 0 | 0 | 0 | 114.3 | |||||
| 42 | S | 28.3 | Very low | 31.1 | Very low | 93 Ų | 93 | 126.2 Ų | 126.2 | 65% | 0.65 | 75% | 0.745 | S | S | * | * | trans | -135.9 | -171.7 | -167.8 | 49.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 43 | H | 30.4 | Very low | 30.8 | Very low | 154 Ų | 154 | 129.7 Ų | 129.7 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | trans | 88.4 | 114 | 161.1 | -68.5 | -72.2 | 0 | 0 | 0 | 121.5 | ||||
| 44 | M | 26.4 | Very low | 30.3 | Very low | 143 Ų | 143 | 130.7 Ų | 130.7 | 70% | 0.704 | 75% | 0.749 | S | S | * | * | 84.4 | 130.1 | 115.9 | -64.7 | -66.5 | 177 | 0 | 0 | 123.1 | |||||
| 45 | T | 25.8 | Very low | 29.1 | Very low | 113 Ų | 113 | 133.2 Ų | 133.2 | 69% | 0.693 | 75% | 0.752 | S | S | * | * | trans | 66.8 | 114.6 | 135.2 | 56.1 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 46 | S | 28.3 | Very low | 29 | Very low | 100 Ų | 100 | 129.6 Ų | 129.6 | 70% | 0.699 | 74% | 0.739 | S | S | * | * | 105.1 | 143.5 | 112.7 | -75.4 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 47 | T | 27.9 | Very low | 28.8 | Very low | 117 Ų | 117 | 132.1 Ų | 132.1 | 72% | 0.718 | 74% | 0.738 | S | S | * | * | trans | 81.4 | 122.4 | 143.9 | 41.3 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 48 | N | 26.1 | Very low | 28.8 | Very low | 139 Ų | 139 | 132.1 Ų | 132.1 | 74% | 0.743 | 74% | 0.738 | S | S | * | * | trans | 85.3 | 84.2 | 132.8 | -61 | -3.6 | 0 | 0 | 0 | 121.7 | ||||
| 49 | S | 35.3 | Very low | 28.8 | Very low | 124 Ų | 124 | 131.9 Ų | 131.9 | 87% | 0.867 | 74% | 0.737 | S | S | * | * | 7.4 | 119.5 | 126.9 | -44.8 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 50 | V | 25.2 | Very low | 28.5 | Very low | 140 Ų | 140 | 132.4 Ų | 132.4 | 85% | 0.848 | 73% | 0.734 | S | S | * | * | trans | -154 | 143.7 | 162 | 171.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 51 | K | 25.6 | Very low | 28.2 | Very low | 165 Ų | 165 | 133.2 Ų | 133.2 | 72% | 0.717 | 73% | 0.73 | S | S | * | * | cis | -179 | 139.5 | -20.8 | 172.1 | 168.7 | -172.2 | -117.9 | 0 | 110 | ||||
| 52 | L | 22.3 | Very low | 27.4 | Very low | 118 Ų | 118 | 137 Ų | 137 | 62% | 0.618 | 73% | 0.727 | S | S | * | * | trans | 63 | 161.6 | 164.3 | -67.4 | 167.8 | 0 | 0 | 0 | 118.9 | ||||
| 53 | E | 26.5 | Very low | 27.2 | Very low | 162 Ų | 162 | 141 Ų | 141 | 76% | 0.757 | 74% | 0.736 | S | S | * | * | cis | -174.9 | -171.2 | -34.7 | -153.8 | 167.1 | -115.6 | 0 | 0 | 110.1 | ||||
| 54 | M | 24 | Very low | 27.8 | Very low | 155 Ų | 155 | 138.8 Ų | 138.8 | 76% | 0.764 | 74% | 0.735 | S | S | * | * | trans | 76.3 | 131.4 | 169.1 | -45.8 | -177.3 | 78.9 | 0 | 0 | 114.7 | ||||
| 55 | Q | 27.8 | Very low | 27.7 | Very low | 153 Ų | 153 | 140.6 Ų | 140.6 | 72% | 0.715 | 75% | 0.746 | S | S | * | * | cis | -159.4 | 174.6 | -0.5 | -122.4 | -176.5 | -65.5 | 0 | 0 | 107.7 | ||||
| 56 | S | 26.6 | Very low | 27.8 | Very low | 85 Ų | 85 | 140.2 Ų | 140.2 | 59% | 0.594 | 75% | 0.748 | S | S | * | * | cis | -160.1 | 159.1 | 2.8 | 53.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 57 | D | 26.1 | Very low | 27.8 | Very low | 119 Ų | 119 | 146.8 Ų | 146.8 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | 21 | 142.2 | 116 | -27.3 | -41.8 | 0 | 0 | 0 | 118 | |||||
| 58 | E | 33.2 | Very low | 28 | Very low | 178 Ų | 178 | 148.3 Ų | 148.3 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | cis | -169 | 167.1 | 3.6 | -113.8 | 167.6 | -178.3 | 0 | 0 | 107.3 | ||||
| 59 | E | 30.4 | Very low | 28.1 | Very low | 179 Ų | 179 | 149.9 Ų | 149.9 | 84% | 0.836 | 77% | 0.765 | S | S | * | * | cis | -148.4 | 177.7 | -5.7 | 178.9 | 166.8 | -153.4 | 0 | 0 | 109.6 | ||||
| 60 | C | 24.6 | Very low | 28 | Very low | 98 Ų | 98 | 152.3 Ų | 152.3 | 66% | 0.662 | 76% | 0.763 | S | S | * | * | trans | -56.6 | 159.9 | 173.4 | -163 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 61 | D | 26.4 | Very low | 28.3 | Very low | 134 Ų | 134 | 152 Ų | 152 | 72% | 0.717 | 76% | 0.755 | S | S | * | * | -157.7 | 172.5 | 112.4 | -134.4 | -20.2 | 0 | 0 | 0 | 115 | |||||
| 62 | R | 27.7 | Very low | 28.6 | Very low | 207 Ų | 207 | 154 Ų | 154 | 78% | 0.781 | 76% | 0.758 | S | S | * | * | trans | -85.7 | 154 | -150.3 | -56.9 | 137.3 | -157.6 | -121.6 | -2.1 | 119.3 | ||||
| 63 | Q | 25.4 | Very low | 28.8 | Very low | 179 Ų | 179 | 151.6 Ų | 151.6 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | 8 | 172 | 129 | -52.2 | -175.5 | -35.7 | 0 | 0 | 121.3 | |||||
| 64 | P | 41.2 | Very low | 29 | Very low | 107 Ų | 107 | 151.4 Ų | 151.4 | 70% | 0.695 | 76% | 0.761 | S | S | * | * | -136.7 | 178.2 | -50.6 | 40 | -24.5 | 0 | 0 | 0 | 111.9 | |||||
| 65 | L | 26.2 | Very low | 29.1 | Very low | 180 Ų | 180 | 151 Ų | 151 | 94% | 0.942 | 76% | 0.762 | S | S | * | * | trans | -148.6 | 153.4 | 152.6 | -90.8 | -169.4 | 0 | 0 | 0 | 112.9 | ||||
| 66 | S | 26.2 | Very low | 29.2 | Very low | 105 Ų | 105 | 153.3 Ų | 153.3 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | trans | -106.7 | 161.6 | -173.5 | 53.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 67 | R | 29.5 | Very low | 29.2 | Very low | 238 Ų | 238 | 152.5 Ų | 152.5 | 90% | 0.898 | 78% | 0.777 | S | S | * | * | -155.5 | 147.5 | 122.2 | -150.3 | 166 | -172.7 | 146.8 | 3.9 | 111.7 | |||||
| 68 | E | 31 | Very low | 29.5 | Very low | 149 Ų | 149 | 152.2 Ų | 152.2 | 70% | 0.696 | 79% | 0.785 | S | S | * | * | trans | -78.8 | 160.1 | 171.8 | -52.3 | 103.4 | 145.2 | 0 | 0 | 112.6 | ||||
| 69 | D | 29.8 | Very low | 29.1 | Very low | 173 Ų | 173 | 148.2 Ų | 148.2 | 93% | 0.925 | 78% | 0.776 | S | S | * | * | -150.9 | 125.3 | 128.3 | -99.6 | -34.5 | 0 | 0 | 0 | 108.4 | |||||
| 70 | E | 31.9 | Very low | 29.1 | Very low | 174 Ų | 174 | 148.1 Ų | 148.1 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | trans | -82.8 | 164.3 | 173 | -61.7 | -179.2 | 102.8 | 0 | 0 | 111 | ||||
| 71 | I | 32.4 | Very low | 29.4 | Very low | 133 Ų | 133 | 151.6 Ų | 151.6 | 68% | 0.682 | 79% | 0.787 | S | S | * | * | 174.8 | 128.8 | 118.5 | -90.4 | 156.8 | 0 | 0 | 0 | 111.4 | |||||
| 72 | R | 30.4 | Very low | 29.7 | Very low | 207 Ų | 207 | 153.4 Ų | 153.4 | 78% | 0.781 | 79% | 0.791 | S | S | * | * | trans | 50 | 111.6 | 163.7 | -87.3 | 170.3 | -75 | -127.9 | -12.1 | 119 | ||||
| 73 | G | 26.7 | Very low | 30.2 | Very low | 68 Ų | 68 | 148.1 Ų | 148.1 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | -86.5 | 179.4 | 137.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 74 | H | 30.8 | Very low | 30.6 | Very low | 159 Ų | 159 | 145 Ų | 145 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | trans | -154.2 | 106.1 | 154.3 | -103.9 | -58.4 | 0 | 0 | 0 | 110 | ||||
| 75 | D | 25.9 | Very low | 30.3 | Very low | 146 Ų | 146 | 147.2 Ų | 147.2 | 78% | 0.781 | 78% | 0.777 | S | S | * | * | trans | 50.9 | 149.2 | 139.7 | -49.5 | -48.7 | 0 | 0 | 0 | 123.5 | ||||
| 76 | E | 29.8 | Very low | 30.7 | Very low | 201 Ų | 201 | 147.6 Ų | 147.6 | 94% | 0.939 | 77% | 0.774 | S | S | * | * | trans | -92.6 | 173.6 | -167.8 | -50.2 | 179.3 | 137.3 | 0 | 0 | 114.2 | ||||
| 77 | G | 26.8 | Very low | 31.2 | Very low | 68 Ų | 68 | 147.2 Ų | 147.2 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | trans | 142 | 79.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 78 | S | 32.3 | Very low | 31.5 | Very low | 113 Ų | 113 | 140.5 Ų | 140.5 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | 57.7 | 122.6 | 56 | -167.1 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 79 | S | 25.9 | Very low | 31.7 | Very low | 94 Ų | 94 | 142.1 Ų | 142.1 | 66% | 0.657 | 77% | 0.768 | S | S | * | * | cis | -161 | 147.7 | -11.8 | -81.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 80 | L | 30.8 | Very low | 32.2 | Very low | 177 Ų | 177 | 139.9 Ų | 139.9 | 93% | 0.927 | 76% | 0.761 | S | S | * | * | trans | -151.6 | 94.2 | 150.3 | -80.3 | -171.1 | 0 | 0 | 0 | 109.9 | ||||
| 81 | E | 30.6 | Very low | 32.3 | Very low | 171 Ų | 171 | 134.8 Ų | 134.8 | 80% | 0.799 | 75% | 0.749 | S | S | * | * | trans | -65.5 | 165.6 | 152 | -66.6 | -76.1 | 130.6 | 0 | 0 | 108.6 | ||||
| 82 | E | 31.4 | Very low | 32.4 | Very low | 172 Ų | 172 | 133.2 Ų | 133.2 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | cis | -137.3 | -147.6 | 23.7 | -60.2 | 178.8 | 117.3 | 0 | 0 | 111.3 | ||||
| 83 | P | 38 | Very low | 32.6 | Very low | 97 Ų | 97 | 128.9 Ų | 128.9 | 63% | 0.63 | 73% | 0.734 | S | S | * | * | -120.9 | 139.3 | -87.6 | 33.7 | -17.2 | 0 | 0 | 0 | 113 | |||||
| 84 | L | 33.9 | Very low | 33.3 | Very low | 114 Ų | 114 | 135.4 Ų | 135.4 | 60% | 0.597 | 74% | 0.737 | S | S | * | * | trans | -130.4 | 78.1 | 170.3 | -75.5 | 178.9 | 0 | 0 | 0 | 112.1 | E86 L157 | L84-E86 PolarHBondContact O-N 3.4Å; L84-L157 HydrophobicContact CD1-CD2 4.33Å | ||
| 85 | I | 36.4 | Very low | 33.6 | Very low | 153 Ų | 153 | 135.7 Ų | 135.7 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | trans | 11.3 | 89.4 | 164.4 | -50.8 | 177 | 0 | 0 | 0 | 114.1 | S87 | I85-S87 PolarHBondContact O-N 2.92Š| ||
| 86 | E | 35 | Very low | 34.5 | Very low | 188 Ų | 188 | 134.1 Ų | 134.1 | 88% | 0.879 | 73% | 0.732 | S | S | * | * | trans | -69.3 | 110.7 | 166.6 | -173.6 | 159.1 | -124.3 | 0 | 0 | 109.1 | L84 | L84-E86 PolarHBondContact O-N 3.4Š| ||
| 87 | S | 36.1 | Very low | 35.1 | Very low | 96 Ų | 96 | 130.7 Ų | 130.7 | 67% | 0.671 | 72% | 0.716 | S | S | * | * | trans | -91.3 | 101.9 | 169.3 | -48.2 | 0 | 0 | 0 | 0 | 107.6 | I85 | I85-S87 PolarHBondContact O-N 2.92Š| ||
| 88 | S | 35.1 | Very low | 36 | Very low | 98 Ų | 98 | 133.3 Ų | 133.3 | 69% | 0.685 | 71% | 0.714 | S | S | * | * | trans | -68.9 | -177.8 | 173.4 | 49 | 0 | 0 | 0 | 0 | 112 | ||||
| 89 | E | 35.2 | Very low | 36.9 | Very low | 182 Ų | 182 | 131 Ų | 131 | 85% | 0.85 | 69% | 0.692 | S | S | * | * | trans | 77.8 | 55.4 | 176.1 | -52.7 | -167.8 | 172.6 | 0 | 0 | 116.9 | ||||
| 90 | V | 41.6 | Very low | 37.9 | Very low | 127 Ų | 127 | 134.8 Ų | 134.8 | 77% | 0.77 | 70% | 0.7 | S | S | * | * | 29.4 | 110.6 | 126.3 | -171.9 | 0 | 0 | 0 | 0 | 118 | |||||
| 91 | A | 32.2 | Very low | 38.5 | Very low | 67 Ų | 67 | 128.6 Ų | 128.6 | 55% | 0.554 | 68% | 0.678 | S | S | * | * | trans | -95.4 | 118.8 | 152.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | N93 | A91-N93 PolarHBondContact O-N 3.35Å; A91-N93 PolarHBondContact O-ND2 3.26Å | ||
| 92 | D | 34.8 | Very low | 39.2 | Very low | 99 Ų | 99 | 129.2 Ų | 129.2 | 53% | 0.529 | 68% | 0.681 | S | S | . | * | trans | -71.4 | 89.4 | -168.6 | -123.4 | -24.8 | 0 | 0 | 0 | 112.9 | R94 | D92-R94 HydrophobicContact CB-CG 4.21Å; D92-R94 PolarHBondContact O-N 2.68Å; D92-R94 WeakPolarHBondContact OD1-CG 3.23Å; D92-R94 IonicContact OD1-CZ 2.89Å; D92-R94 IonicContact OD1-NE 3.6Å; D92-R94 PolarHBondContact OD1-NE 2.83Å; D92-R94 IonicContact OD1-NH2 3.66Å; D92-R94 IonicContact OD2-CZ 3.63Å; D92-R94 IonicContact OD2-NE 2.82Å; D92-R94 PolarHBondContact OD2-NE 2.76Å; D92-R94 IonicContact OD2-NH2 3.1Å; D92-R94 PolarHBondContact OD2-NH2 3Å | ||
| 93 | N | 35.6 | Very low | 40 | Very low | 117 Ų | 117 | 124.2 Ų | 124.2 | 63% | 0.626 | 68% | 0.676 | S | S | * | * | trans | -77.8 | 51.5 | 173.3 | -83.1 | -87.7 | 0 | 0 | 0 | 112.1 | A91 K95 | A91-N93 PolarHBondContact O-N 3.35Å; A91-N93 PolarHBondContact O-ND2 3.26Å; N93-K95 PolarHBondContact O-N 2.84Å | ||
| 94 | R | 41 | Very low | 40.9 | Very low | 205 Ų | 205 | 123.9 Ų | 123.9 | 77% | 0.774 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | 47.4 | -178.5 | -64.6 | -169.3 | -172.9 | -178 | 14.3 | 114.3 | D92 | D92-R94 HydrophobicContact CB-CG 4.21Å; D92-R94 PolarHBondContact O-N 2.68Å; D92-R94 WeakPolarHBondContact OD1-CG 3.23Å; D92-R94 IonicContact OD1-CZ 2.89Å; D92-R94 IonicContact OD1-NE 3.6Å; D92-R94 PolarHBondContact OD1-NE 2.83Å; D92-R94 IonicContact OD1-NH2 3.66Å; D92-R94 IonicContact OD2-CZ 3.63Å; D92-R94 IonicContact OD2-NE 2.82Å; D92-R94 PolarHBondContact OD2-NE 2.76Å; D92-R94 IonicContact OD2-NH2 3.1Å; D92-R94 PolarHBondContact OD2-NH2 3Å |
| 95 | K | 37.5 | Very low | 41.8 | Very low | 164 Ų | 164 | 124 Ų | 124 | 71% | 0.713 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -152.4 | 42.4 | 162.5 | -143.2 | 148.3 | -171.7 | 175 | 0 | 114.3 | N93 Q97 | N93-K95 PolarHBondContact O-N 2.84Å; K95-Q97 HydrophobicContact CG-CG 3.89Å; K95-Q97 PolarHBondContact O-N 2.92Å |
| 96 | V | 44.4 | Very low | 42.6 | Very low | 113 Ų | 113 | 128.1 Ų | 128.1 | 69% | 0.685 | 70% | 0.696 | S | S | * | * | trans | -69.7 | 84.5 | 161.1 | -176.1 | 0 | 0 | 0 | 0 | 108.2 | D98 | V96-D98 PolarHBondContact O-N 3.01Š| ||
| 97 | Q | 42.3 | Very low | 43.5 | Very low | 130 Ų | 130 | 122.6 Ų | 122.6 | 61% | 0.607 | 67% | 0.671 | S | S | * | * | trans | -73 | 113.3 | 177.8 | -69.7 | -176.8 | -77 | 0 | 0 | 110.5 | K95 L99 | K95-Q97 HydrophobicContact CG-CG 3.89Å; K95-Q97 PolarHBondContact O-N 2.92Å; Q97-L99 PolarHBondContact O-N 3.18Å | ||
| 98 | D | 45.8 | Very low | 44.2 | Very low | 123 Ų | 123 | 123.9 Ų | 123.9 | 66% | 0.658 | 68% | 0.678 | S | S | * | * | trans | 45.5 | 51 | 141.1 | -50.8 | -52.4 | 0 | 0 | 0 | 117.1 | V96 Q100 | V96-D98 PolarHBondContact O-N 3.01Å; D98-Q100 PolarHBondContact O-N 3.19Å | ||
| 99 | L | 51.7 | Low | 44.9 | Very low | 65 Ų | 65 | 125.3 Ų | 125.3 | 34% | 0.34 | 68% | 0.677 | S | S | . | * | trans | -72.8 | 66.2 | 161.8 | -70.9 | 178.5 | 0 | 0 | 0 | 110.6 | Q97 K126 L129 | Q97-L99 PolarHBondContact O-N 3.18Å; L99-K126 HydrophobicContact CD1-CG 4.46Å; L99-K126 PolarHBondContact O-NZ 3.08Å; L99-L129 HydrophobicContact CD1-CD2 4.19Å | ||
| 100 | Q | 46.5 | Very low | 46 | Very low | 173 Ų | 173 | 119.5 Ų | 119.5 | 81% | 0.808 | 67% | 0.667 | S | S | * | * | trans | -58.4 | 141.1 | 169.7 | -69.1 | 172 | -7.9 | 0 | 0 | 109.7 | D98 | D98-Q100 PolarHBondContact O-N 3.19Š| ||
| 101 | G | 43.4 | Very low | 47 | Very low | 47 Ų | 47 | 118 Ų | 118 | 49% | 0.485 | 65% | 0.652 | S | S | . | * | trans | 128.1 | 86.5 | -162.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 102 | E | 44.3 | Very low | 48.9 | Very low | 184 Ų | 184 | 122.1 Ų | 122.1 | 86% | 0.86 | 65% | 0.653 | S | S | * | * | trans | -84 | 153.2 | 166.9 | -60.5 | -163.8 | 152.9 | 0 | 0 | 110.2 | ||||
| 103 | G | 48.8 | Very low | 50.8 | Low | 67 Ų | 67 | 120.4 Ų | 120.4 | 69% | 0.691 | 65% | 0.647 | S | S | * | * | S | Bend | trans | 78.2 | 147.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | I105 | G103-I105 VanDerWaalsContact C-N 3.26Å; G103-I105 PolarHBondContact O-N 2.95Å |
| 104 | G | 56.7 | Low | 53.2 | Low | 89 Ų | 89 | 116.8 Ų | 116.8 | 92% | 0.918 | 63% | 0.626 | S | S | * | * | trans | -80.7 | 65.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R106 | G104-R106 PolarHBondContact O-N 3.4Š| ||
| 105 | I | 52.9 | Low | 55.1 | Low | 116 Ų | 116 | 111.8 Ų | 111.8 | 60% | 0.595 | 61% | 0.611 | S | S | * | * | trans | -67.1 | 105.5 | -179.2 | -49.3 | 179.1 | 0 | 0 | 0 | 109.7 | G103 L107 | G103-I105 VanDerWaalsContact C-N 3.26Å; G103-I105 PolarHBondContact O-N 2.95Å; I105-L107 HydrophobicContact CB-CD1 4.18Å; I105-L107 HydrophobicContact CG2-CD1 3.64Å; I105-L107 HydrophobicContact CG2-CG 3.91Å; I105-L107 PolarHBondContact O-N 3.17Å | ||
| 106 | R | 52.9 | Low | 57.4 | Low | 241 Ų | 241 | 104.1 Ų | 104.1 | 91% | 0.909 | 58% | 0.578 | S | S | * | * | trans | -85.9 | 88.6 | 167.1 | -177.1 | 179.5 | -179.9 | 171.2 | -1.5 | 108.2 | G104 | G104-R106 PolarHBondContact O-N 3.4Š| ||
| 107 | L | 54.6 | Low | 59 | Low | 71 Ų | 71 | 106.5 Ų | 106.5 | 37% | 0.372 | 59% | 0.587 | S | S | . | * | trans | -63.1 | 139.3 | 175 | -69.8 | 94.8 | 0 | 0 | 0 | 110 | I105 N109 | I105-L107 HydrophobicContact CB-CD1 4.18Å; I105-L107 HydrophobicContact CG2-CD1 3.64Å; I105-L107 HydrophobicContact CG2-CG 3.91Å; I105-L107 PolarHBondContact O-N 3.17Å; L107-N109 VanDerWaalsContact C-N 3.28Å; L107-N109 PolarHBondContact O-N 3.32Å | ||
| 108 | P | 50.4 | Low | 60.6 | Low | 124 Ų | 124 | 106.6 Ų | 106.6 | 81% | 0.805 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -67.7 | -22.6 | -176.4 | -22.8 | 34.6 | 0 | 0 | 0 | 114.9 | G110 | P108-G110 PolarHBondContact O-N 3.43Š|
| 109 | N | 51.3 | Low | 62.2 | Low | 127 Ų | 127 | 103.9 Ų | 103.9 | 68% | 0.679 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -95.5 | 32 | -159.4 | -61.6 | -7.5 | 0 | 0 | 0 | 114.8 | L107 E111 | L107-N109 VanDerWaalsContact C-N 3.28Å; L107-N109 PolarHBondContact O-N 3.32Å; N109-E111 HydrophobicContact CB-CG 4.39Å; N109-E111 PolarHBondContact O-N 3.13Å |
| 110 | G | 56.4 | Low | 63.5 | Low | 61 Ų | 61 | 103.4 Ų | 103.4 | 63% | 0.629 | 59% | 0.588 | S | S | * | * | trans | 66.5 | 3.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116 | P108 | P108-G110 PolarHBondContact O-N 3.43Š| ||
| 111 | E | 62.8 | Low | 65 | Low | 96 Ų | 96 | 96.6 Ų | 96.6 | 45% | 0.449 | 56% | 0.561 | S | S | . | * | trans | -59.1 | 139.9 | -175.8 | -67.6 | 177 | -136.6 | 0 | 0 | 112.6 | N109 P113 | N109-E111 HydrophobicContact CB-CG 4.39Å; N109-E111 PolarHBondContact O-N 3.13Å; E111-P113 WeakPolarHBondContact O-CD 3.48Å | ||
| 112 | R | 71.8 | Confident | 66.9 | Low | 153 Ų | 153 | 96 Ų | 96 | 58% | 0.577 | 55% | 0.549 | S | S | * | . | trans | -117.6 | 61.7 | -177.1 | -60.2 | 168.2 | 96.4 | 127.3 | 0.3 | 110.2 | F114 H115 S122 F123 T124 | R112-F114 PolarHBondContact O-N 3.34Å; R112-F114 VanDerWaalsContact O-N 3.09Å; R112-H115 PolarHBondContact O-CE1 2.98Å; R112-H115 PolarHBondContact O-ND1 3.12Å; R112-S122 PolarHBondContact NE-O 2.88Å; R112-F123 CarbonylContact C-O 3.18Å; R112-F123 WeakPolarHBondContact CA-O 3.47Å; R112-T124 HydrophobicContact CG-CG2 3.95Å | ||
| 113 | P | 76.6 | Confident | 68.8 | Low | 62 Ų | 62 | 89.3 Ų | 89.3 | 40% | 0.403 | 52% | 0.518 | S | S | . | . | trans | -63.5 | -21.5 | -167 | 25 | -34.9 | 0 | 0 | 0 | 114.2 | E111 H115 | E111-P113 WeakPolarHBondContact O-CD 3.48Å; P113-H115 PolarHBondContact O-N 3.19Å; P113-H115 PolarHBondContact O-ND1 3.35Å | ||
| 114 | F | 84.4 | Confident | 70.5 | Confident | 42 Ų | 42 | 89.8 Ų | 89.8 | 18% | 0.184 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 99.1 | -176.2 | -54.6 | -73.1 | 0 | 0 | 0 | 111.3 | R112 F123 K126 L129 | R112-F114 PolarHBondContact O-N 3.34Å; R112-F114 VanDerWaalsContact O-N 3.09Å; F114-F123 HydrophobicContact CB-CB 4.33Å; F114-F123 WeakPolarHBondContact CB-O 3.41Å; F114-F123 WeakPolarHBondContact CD2-O 3.42Å; F114-F123 PolarHBondContact N-O 2.76Å; F114-F123 VanDerWaalsContact N-O 3.15Å; F114-F123 PolarHBondContact O-N 3.45Å; F114-K126 HydrophobicContact CD1-CB 3.82Å; F114-K126 HydrophobicContact CD1-CG 4.11Å; F114-K126 VanDerWaalsContact CD2-N 3.25Å; F114-K126 HydrophobicContact CE1-CB 3.65Å; F114-K126 HydrophobicContact CE1-CD 4.03Å; F114-K126 HydrophobicContact CE1-CG 4.03Å; F114-K126 HydrophobicContact CE2-CB 4.36Å; F114-K126 HydrophobicContact CG-CB 4.27Å; F114-K126 HydrophobicContact CZ-CB 3.93Å; F114-L129 HydrophobicContact CB-CB 3.93Å; F114-L129 HydrophobicContact CB-CD2 3.82Å; F114-L129 HydrophobicContact CB-CG 4.48Å |
| 115 | H | 80.6 | Confident | 71.9 | Confident | 99 Ų | 99 | 90.9 Ų | 90.9 | 46% | 0.458 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 143.9 | -175.1 | -68 | 75.6 | 0 | 0 | 0 | 113 | R112 P113 S122 L129 | R112-H115 PolarHBondContact O-CE1 2.98Å; R112-H115 PolarHBondContact O-ND1 3.12Å; P113-H115 PolarHBondContact O-N 3.19Å; P113-H115 PolarHBondContact O-ND1 3.35Å; H115-S122 PolarHBondContact CD2-OG 3.5Å; H115-S122 PolarHBondContact NE2-OG 3.17Å; H115-L129 WeakPolarHBondContact O-CD1 3.36Å; H115-L129 WeakPolarHBondContact O-CD2 3.43Å |
| 116 | C | 85.9 | Confident | 73.3 | Confident | 4 Ų | 4 | 89 Ų | 89 | 3% | 0.027 | 48% | 0.476 | C | S | . | . | trans | -93.2 | 108.7 | 171.5 | -173.6 | 0 | 0 | 0 | 0 | 111.9 | Q118 C119 G120 A121 L129 H132 H136 | C116-Q118 PolarHBondContact O-N 3.35Å; C116-C119 PolarHBondContact O-N 3.27Å; C116-G120 WeakPolarHBondContact O-CA 3.45Å; C116-G120 PolarHBondContact O-N 3.07Å; C116-A121 HydrophobicContact CB-CB 4.32Å; C116-A121 PolarHBondContact N-O 2.99Å; C116-L129 HydrophobicContact CB-CD1 3.69Å; C116-H132 VanDerWaalsContact SG-CD2 3.53Å; C116-H132 PolarHBondContact SG-NE2 2.85Å; C116-H132 VanDerWaalsContact SG-NE2 3.35Å; C116-H136 PolarHBondContact SG-NE2 2.87Å | ||
| 117 | N | 78.4 | Confident | 74.8 | Confident | 162 Ų | 162 | 79.6 Ų | 79.6 | 87% | 0.866 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -14.8 | -179.5 | -61.1 | -5.6 | 0 | 0 | 0 | 114.4 | ||
| 118 | Q | 76.2 | Confident | 76.1 | Confident | 133 Ų | 133 | 78.1 Ų | 78.1 | 62% | 0.621 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -20.3 | -178.1 | -172.3 | 166.6 | 1 | 0 | 0 | 114.1 | C116 H136 | C116-Q118 PolarHBondContact O-N 3.35Å; Q118-H136 PolarHBondContact OE1-CD2 3.23Å; Q118-H136 VanDerWaalsContact OE1-CG 3.29Å |
| 119 | C | 80.1 | Confident | 77.7 | Confident | 65 Ų | 65 | 72.3 Ų | 72.3 | 44% | 0.439 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -149.2 | 8.8 | 179.9 | 71.4 | 0 | 0 | 0 | 0 | 115.6 | C116 A121 H132 H136 | C116-C119 PolarHBondContact O-N 3.27Å; C119-A121 VanDerWaalsContact C-N 3.26Å; C119-A121 PolarHBondContact O-N 2.9Å; C119-H132 VanDerWaalsContact SG-CE1 3.58Å; C119-H132 PolarHBondContact SG-NE2 3.01Å; C119-H136 WeakPolarHBondContact CB-CE1 3.29Å; C119-H136 PolarHBondContact SG-CE1 3.4Å; C119-H136 PolarHBondContact SG-NE2 3.37Å |
| 120 | G | 78 | Confident | 79.2 | Confident | 55 Ų | 55 | 70.2 Ų | 70.2 | 57% | 0.567 | 40% | 0.397 | S | S | * | . | trans | 73.9 | 3.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | C116 S122 | C116-G120 WeakPolarHBondContact O-CA 3.45Å; C116-G120 PolarHBondContact O-N 3.07Å; G120-S122 PolarHBondContact O-N 3.13Å | ||
| 121 | A | 78.8 | Confident | 80.3 | Confident | 30 Ų | 30 | 73.9 Ų | 73.9 | 25% | 0.248 | 39% | 0.392 | C | S | . | . | trans | -70.6 | 125.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | C116 C119 F123 | C116-A121 HydrophobicContact CB-CB 4.32Å; C116-A121 PolarHBondContact N-O 2.99Å; C119-A121 VanDerWaalsContact C-N 3.26Å; C119-A121 PolarHBondContact O-N 2.9Å; A121-F123 HydrophobicContact CB-CE2 3.73Å; A121-F123 HydrophobicContact CB-CZ 3.88Å; A121-F123 WeakPolarHBondContact O-CD2 3.49Å; A121-F123 VanDerWaalsContact O-CE2 3.29Å; A121-F123 WeakPolarHBondContact O-CE2 3.4Å | ||
| 122 | S | 82.7 | Confident | 81.2 | Confident | 34 Ų | 34 | 70.7 Ų | 70.7 | 24% | 0.238 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 134.3 | -177.9 | -43.4 | 0 | 0 | 0 | 0 | 113.3 | R112 H115 G120 | R112-S122 PolarHBondContact NE-O 2.88Å; H115-S122 PolarHBondContact CD2-OG 3.5Å; H115-S122 PolarHBondContact NE2-OG 3.17Å; G120-S122 PolarHBondContact O-N 3.13Å |
| 123 | F | 84.9 | Confident | 81.7 | Confident | 45 Ų | 45 | 66.8 Ų | 66.8 | 20% | 0.197 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 147.5 | -175.8 | -57.7 | -87.6 | 0 | 0 | 0 | 112.1 | R112 F114 A121 Q125 N128 L129 H132 | R112-F123 CarbonylContact C-O 3.18Å; R112-F123 WeakPolarHBondContact CA-O 3.47Å; F114-F123 HydrophobicContact CB-CB 4.33Å; F114-F123 WeakPolarHBondContact CB-O 3.41Å; F114-F123 WeakPolarHBondContact CD2-O 3.42Å; F114-F123 PolarHBondContact N-O 2.76Å; F114-F123 VanDerWaalsContact N-O 3.15Å; F114-F123 PolarHBondContact O-N 3.45Å; A121-F123 HydrophobicContact CB-CE2 3.73Å; A121-F123 HydrophobicContact CB-CZ 3.88Å; A121-F123 WeakPolarHBondContact O-CD2 3.49Å; A121-F123 VanDerWaalsContact O-CE2 3.29Å; A121-F123 WeakPolarHBondContact O-CE2 3.4Å; F123-Q125 VanDerWaalsContact C-N 3.3Å; F123-N128 HydrophobicContact CB-CB 4.33Å; F123-N128 HydrophobicContact CD1-CB 3.99Å; F123-N128 HydrophobicContact CG-CB 4.39Å; F123-L129 HydrophobicContact CB-CB 4.4Å; F123-L129 HydrophobicContact CD2-CB 3.93Å; F123-L129 HydrophobicContact CD2-CD1 3.88Å; F123-L129 HydrophobicContact CE2-CD1 4.06Å; F123-L129 HydrophobicContact CG-CB 4.36Å; F123-H132 HydrophobicContact CE1-CB 4.14Å; F123-H132 HydrophobicContact CE2-CB 3.87Å; F123-H132 AromaticContact CE2-CD2 3.6Å; F123-H132 AromaticContact CE2-CG 3.64Å; F123-H132 HydrophobicContact CZ-CB 3.5Å; F123-H132 VanDerWaalsContact CZ-CB 3.5Å; F123-H132 AromaticContact CZ-CD2 3.76Å; F123-H132 AromaticContact CZ-CG 3.34Å; F123-H132 AromaticContact CZ-ND1 3.66Å |
| 124 | T | 84.4 | Confident | 81.8 | Confident | 76 Ų | 76 | 70.2 Ų | 70.2 | 47% | 0.466 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -78 | -10.2 | 175.1 | 53 | 0 | 0 | 0 | 0 | 113.7 | R112 | R112-T124 HydrophobicContact CG-CG2 3.95Š|
| 125 | Q | 85.1 | Confident | 81.2 | Confident | 113 Ų | 113 | 72.5 Ų | 72.5 | 53% | 0.528 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -142.6 | 134 | -176.9 | -64.5 | 177.9 | -10.7 | 0 | 0 | 112.1 | F123 G127 N128 L129 | F123-Q125 VanDerWaalsContact C-N 3.3Å; Q125-G127 VanDerWaalsContact C-N 3.26Å; Q125-G127 PolarHBondContact O-N 3.4Å; Q125-N128 HydrophobicContact CB-CB 4.49Å; Q125-N128 PolarHBondContact O-N 2.86Å; Q125-N128 PolarHBondContact OE1-ND2 3.23Å; Q125-N128 VanDerWaalsContact OE1-ND2 3.14Å; Q125-L129 PolarHBondContact O-N 2.04Å |
| 126 | K | 83.2 | Confident | 81 | Confident | 76 Ų | 76 | 71.4 Ų | 71.4 | 33% | 0.33 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -52.2 | -40.4 | 176.8 | -164.2 | 163.9 | 175.3 | 170.8 | 0 | 112.6 | L99 F114 N128 L129 L130 | L99-K126 HydrophobicContact CD1-CG 4.46Å; L99-K126 PolarHBondContact O-NZ 3.08Å; F114-K126 HydrophobicContact CD1-CB 3.82Å; F114-K126 HydrophobicContact CD1-CG 4.11Å; F114-K126 VanDerWaalsContact CD2-N 3.25Å; F114-K126 HydrophobicContact CE1-CB 3.65Å; F114-K126 HydrophobicContact CE1-CD 4.03Å; F114-K126 HydrophobicContact CE1-CG 4.03Å; F114-K126 HydrophobicContact CE2-CB 4.36Å; F114-K126 HydrophobicContact CG-CB 4.27Å; F114-K126 HydrophobicContact CZ-CB 3.93Å; K126-N128 VanDerWaalsContact C-N 3.33Å; K126-N128 PolarHBondContact O-N 3.48Å; K126-L129 PolarHBondContact O-N 3.21Å; K126-L130 HydrophobicContact CG-CD1 4.46Å; K126-L130 WeakPolarHBondContact O-CG 3.08Å; K126-L130 PolarHBondContact O-N 3.25Å |
| 127 | G | 83.5 | Confident | 80.3 | Confident | 44 Ų | 44 | 73.6 Ų | 73.6 | 45% | 0.454 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65 | -30 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q125 R131 | Q125-G127 VanDerWaalsContact C-N 3.26Å; Q125-G127 PolarHBondContact O-N 3.4Å; G127-R131 WeakPolarHBondContact O-CB 3.48Å; G127-R131 PolarHBondContact O-N 2.78Å; G127-R131 VanDerWaalsContact O-N 3.08Å |
| 128 | N | 82.6 | Confident | 79.7 | Confident | 39 Ų | 39 | 67.8 Ų | 67.8 | 21% | 0.209 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -77.8 | -37.6 | 175.5 | -69.4 | -33.3 | 0 | 0 | 0 | 111.3 | F123 Q125 K126 R131 H132 | F123-N128 HydrophobicContact CB-CB 4.33Å; F123-N128 HydrophobicContact CD1-CB 3.99Å; F123-N128 HydrophobicContact CG-CB 4.39Å; Q125-N128 HydrophobicContact CB-CB 4.49Å; Q125-N128 PolarHBondContact O-N 2.86Å; Q125-N128 PolarHBondContact OE1-ND2 3.23Å; Q125-N128 VanDerWaalsContact OE1-ND2 3.14Å; K126-N128 VanDerWaalsContact C-N 3.33Å; K126-N128 PolarHBondContact O-N 3.48Å; N128-R131 PolarHBondContact O-N 3.14Å; N128-R131 PolarHBondContact OD1-NH1 3.4Å; N128-R131 VanDerWaalsContact OD1-NH1 3.16Å; N128-R131 PolarHBondContact OD1-NH2 2.88Å; N128-H132 WeakPolarHBondContact O-CB 3.17Å; N128-H132 PolarHBondContact O-N 3.46Å |
| 129 | L | 84.6 | Confident | 79.4 | Confident | 3 Ų | 3 | 66 Ų | 66 | 2% | 0.016 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60 | -48.5 | 169.8 | 173.4 | 62.4 | 0 | 0 | 0 | 111.4 | L99 F114 H115 C116 F123 Q125 K126 R131 H132 I133 | L99-L129 HydrophobicContact CD1-CD2 4.19Å; F114-L129 HydrophobicContact CB-CB 3.93Å; F114-L129 HydrophobicContact CB-CD2 3.82Å; F114-L129 HydrophobicContact CB-CG 4.48Å; H115-L129 WeakPolarHBondContact O-CD1 3.36Å; H115-L129 WeakPolarHBondContact O-CD2 3.43Å; C116-L129 HydrophobicContact CB-CD1 3.69Å; F123-L129 HydrophobicContact CB-CB 4.4Å; F123-L129 HydrophobicContact CD2-CB 3.93Å; F123-L129 HydrophobicContact CD2-CD1 3.88Å; F123-L129 HydrophobicContact CE2-CD1 4.06Å; F123-L129 HydrophobicContact CG-CB 4.36Å; Q125-L129 PolarHBondContact O-N 2.04Å; K126-L129 PolarHBondContact O-N 3.21Å; L129-R131 VanDerWaalsContact C-N 3.33Å; L129-R131 PolarHBondContact O-N 2.96Å; L129-H132 CarbonylContact O-C 3.58Å; L129-H132 WeakPolarHBondContact O-CA 2.99Å; L129-H132 WeakPolarHBondContact O-CB 3.4Å; L129-H132 PolarHBondContact O-N 2.78Å; L129-I133 HydrophobicContact CD1-CD1 3.9Å; L129-I133 HydrophobicContact CD1-CG1 4.06Å; L129-I133 HydrophobicContact CD2-CD1 4.47Å; L129-I133 HydrophobicContact CG-CD1 3.86Å; L129-I133 HydrophobicContact CG-CG1 4.44Å; L129-I133 WeakPolarHBondContact O-CG1 3.38Å; L129-I133 PolarHBondContact O-N 2.99Å |
| 130 | L | 82.5 | Confident | 79.3 | Confident | 82 Ų | 82 | 68.4 Ų | 68.4 | 43% | 0.429 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.7 | -39.2 | 178.6 | -70.1 | 171.2 | 0 | 0 | 0 | 112.3 | K126 H132 I133 K134 | K126-L130 HydrophobicContact CG-CD1 4.46Å; K126-L130 WeakPolarHBondContact O-CG 3.08Å; K126-L130 PolarHBondContact O-N 3.25Å; L130-H132 VanDerWaalsContact C-N 3.32Å; L130-I133 PolarHBondContact O-N 3.3Å; L130-K134 PolarHBondContact O-N 2.8Å |
| 131 | R | 78.8 | Confident | 79.3 | Confident | 138 Ų | 138 | 70.1 Ų | 70.1 | 52% | 0.521 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.2 | -37.9 | 172.5 | -170.8 | -168.7 | -57.7 | 153.1 | 7.2 | 112.1 | G127 N128 L129 | G127-R131 WeakPolarHBondContact O-CB 3.48Å; G127-R131 PolarHBondContact O-N 2.78Å; G127-R131 VanDerWaalsContact O-N 3.08Å; N128-R131 PolarHBondContact O-N 3.14Å; N128-R131 PolarHBondContact OD1-NH1 3.4Å; N128-R131 VanDerWaalsContact OD1-NH1 3.16Å; N128-R131 PolarHBondContact OD1-NH2 2.88Å; L129-R131 VanDerWaalsContact C-N 3.33Å; L129-R131 PolarHBondContact O-N 2.96Å |
| 132 | H | 82.9 | Confident | 79.5 | Confident | 29 Ų | 29 | 71.5 Ų | 71.5 | 13% | 0.134 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -71.3 | -38.7 | 177.5 | 167.8 | 80.8 | 0 | 0 | 0 | 112.6 | C116 C119 F123 N128 L129 L130 K134 L135 H136 | C116-H132 VanDerWaalsContact SG-CD2 3.53Å; C116-H132 PolarHBondContact SG-NE2 2.85Å; C116-H132 VanDerWaalsContact SG-NE2 3.35Å; C119-H132 VanDerWaalsContact SG-CE1 3.58Å; C119-H132 PolarHBondContact SG-NE2 3.01Å; F123-H132 HydrophobicContact CE1-CB 4.14Å; F123-H132 HydrophobicContact CE2-CB 3.87Å; F123-H132 AromaticContact CE2-CD2 3.6Å; F123-H132 AromaticContact CE2-CG 3.64Å; F123-H132 HydrophobicContact CZ-CB 3.5Å; F123-H132 VanDerWaalsContact CZ-CB 3.5Å; F123-H132 AromaticContact CZ-CD2 3.76Å; F123-H132 AromaticContact CZ-CG 3.34Å; F123-H132 AromaticContact CZ-ND1 3.66Å; N128-H132 WeakPolarHBondContact O-CB 3.17Å; N128-H132 PolarHBondContact O-N 3.46Å; L129-H132 CarbonylContact O-C 3.58Å; L129-H132 WeakPolarHBondContact O-CA 2.99Å; L129-H132 WeakPolarHBondContact O-CB 3.4Å; L129-H132 PolarHBondContact O-N 2.78Å; L130-H132 VanDerWaalsContact C-N 3.32Å; H132-K134 VanDerWaalsContact C-N 3.27Å; H132-K134 PolarHBondContact O-N 3.49Å; H132-L135 WeakPolarHBondContact O-CA 3.45Å; H132-L135 WeakPolarHBondContact O-CB 3.35Å; H132-L135 WeakPolarHBondContact O-CG 3.25Å; H132-L135 PolarHBondContact O-N 3.34Å; H132-H136 AromaticContact CD2-NE2 3.36Å; H132-H136 PolarHBondContact CD2-NE2 2.9Å; H132-H136 AromaticContact CE1-NE2 3.24Å; H132-H136 PolarHBondContact CE1-NE2 3.4Å; H132-H136 AromaticContact NE2-NE2 2.49Å; H132-H136 PolarHBondContact NE2-NE2 3.44Å |
| 133 | I | 80.6 | Confident | 79.5 | Confident | 71 Ų | 71 | 76.4 Ų | 76.4 | 36% | 0.364 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.6 | -37.1 | 175.4 | -68.2 | 165.7 | 0 | 0 | 0 | 110.9 | L129 L130 L135 H136 S137 | L129-I133 HydrophobicContact CD1-CD1 3.9Å; L129-I133 HydrophobicContact CD1-CG1 4.06Å; L129-I133 HydrophobicContact CD2-CD1 4.47Å; L129-I133 HydrophobicContact CG-CD1 3.86Å; L129-I133 HydrophobicContact CG-CG1 4.44Å; L129-I133 WeakPolarHBondContact O-CG1 3.38Å; L129-I133 PolarHBondContact O-N 2.99Å; L130-I133 PolarHBondContact O-N 3.3Å; I133-L135 PolarHBondContact O-N 3.49Å; I133-H136 WeakPolarHBondContact O-CB 3.27Å; I133-H136 PolarHBondContact O-N 3.47Å; I133-S137 PolarHBondContact O-N 3.16Å |
| 134 | K | 79.2 | Confident | 79.7 | Confident | 135 Ų | 135 | 74.9 Ų | 74.9 | 59% | 0.587 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -64.2 | -3.4 | 169.9 | -66.9 | -171.7 | 179 | -165.8 | 0 | 114.5 | L130 H132 R152 | L130-K134 PolarHBondContact O-N 2.8Å; H132-K134 VanDerWaalsContact C-N 3.27Å; H132-K134 PolarHBondContact O-N 3.49Å; K134-R152 WeakPolarHBondContact O-CD 3.48Å |
| 135 | L | 73.1 | Confident | 79.6 | Confident | 90 Ų | 90 | 75.3 Ų | 75.3 | 47% | 0.471 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -82.6 | -30.4 | 167.8 | -55.6 | 178 | 0 | 0 | 0 | 112.2 | H132 I133 R152 | H132-L135 WeakPolarHBondContact O-CA 3.45Å; H132-L135 WeakPolarHBondContact O-CB 3.35Å; H132-L135 WeakPolarHBondContact O-CG 3.25Å; H132-L135 PolarHBondContact O-N 3.34Å; I133-L135 PolarHBondContact O-N 3.49Å; L135-R152 PolarHBondContact O-NH1 3.31Å |
| 136 | H | 75.8 | Confident | 79.4 | Confident | 75 Ų | 75 | 76.9 Ų | 76.9 | 35% | 0.347 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -79.3 | -31.2 | -179.5 | -63.4 | -54.6 | 0 | 0 | 0 | 113.1 | C116 Q118 C119 H132 I133 G138 | C116-H136 PolarHBondContact SG-NE2 2.87Å; Q118-H136 PolarHBondContact OE1-CD2 3.23Å; Q118-H136 VanDerWaalsContact OE1-CG 3.29Å; C119-H136 WeakPolarHBondContact CB-CE1 3.29Å; C119-H136 PolarHBondContact SG-CE1 3.4Å; C119-H136 PolarHBondContact SG-NE2 3.37Å; H132-H136 AromaticContact CD2-NE2 3.36Å; H132-H136 PolarHBondContact CD2-NE2 2.9Å; H132-H136 AromaticContact CE1-NE2 3.24Å; H132-H136 PolarHBondContact CE1-NE2 3.4Å; H132-H136 AromaticContact NE2-NE2 2.49Å; H132-H136 PolarHBondContact NE2-NE2 3.44Å; I133-H136 WeakPolarHBondContact O-CB 3.27Å; I133-H136 PolarHBondContact O-N 3.47Å; H136-G138 PolarHBondContact O-N 2.83Å; H136-G138 VanDerWaalsContact O-N 3.11Å |
| 137 | S | 70.2 | Confident | 79.5 | Confident | 50 Ų | 50 | 75.7 Ų | 75.7 | 35% | 0.35 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -7.2 | 178.9 | 66.6 | 0 | 0 | 0 | 0 | 114.4 | I133 E139 | I133-S137 PolarHBondContact O-N 3.16Å; S137-E139 VanDerWaalsContact CB-OE2 3.24Å; S137-E139 WeakPolarHBondContact CB-OE2 3.44Å; S137-E139 PolarHBondContact O-N 3Å; S137-E139 PolarHBondContact OG-OE2 3Å |
| 138 | G | 66.8 | Low | 79.5 | Confident | 40 Ų | 40 | 78.4 Ų | 78.4 | 41% | 0.412 | 41% | 0.408 | S | S | . | . | trans | 78.7 | -40.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | H136 R152 | H136-G138 PolarHBondContact O-N 2.83Å; H136-G138 VanDerWaalsContact O-N 3.11Å; G138-R152 VanDerWaalsContact C-NH2 3.34Å; G138-R152 VanDerWaalsContact CA-NH2 3.31Å; G138-R152 PolarHBondContact O-NE 2.69Å; G138-R152 VanDerWaalsContact O-NE 3.11Å; G138-R152 PolarHBondContact O-NH2 2.89Å | ||
| 139 | E | 70.6 | Confident | 79.4 | Confident | 95 Ų | 95 | 80.7 Ų | 80.7 | 44% | 0.444 | 41% | 0.414 | S | S | . | . | trans | -39.5 | 139.2 | -174.7 | -65.5 | 157.8 | 157.3 | 0 | 0 | 115.2 | S137 R152 | S137-E139 VanDerWaalsContact CB-OE2 3.24Å; S137-E139 WeakPolarHBondContact CB-OE2 3.44Å; S137-E139 PolarHBondContact O-N 3Å; S137-E139 PolarHBondContact OG-OE2 3Å; E139-R152 WeakPolarHBondContact O-CD 3.47Å; E139-R152 WeakPolarHBondContact O-CG 3.27Å; E139-R152 PolarHBondContact O-NE 3.01Å | ||
| 140 | K | 76.7 | Confident | 79.4 | Confident | 117 Ų | 117 | 81.8 Ų | 81.8 | 51% | 0.509 | 42% | 0.423 | S | S | . | . | trans | -131.9 | 73.1 | 176.1 | -73.4 | 170.3 | 164.9 | -171.1 | 0 | 109.7 | F142 A150 C151 R152 | K140-F142 VanDerWaalsContact C-N 3.29Å; K140-F142 PolarHBondContact O-N 3.46Å; K140-A150 HydrophobicContact CB-CB 3.89Å; K140-A150 HydrophobicContact CD-CB 4.33Å; K140-A150 WeakPolarHBondContact CD-O 3.31Å; K140-C151 CarbonylContact C-O 3.57Å; K140-C151 WeakPolarHBondContact CA-O 3.5Å; K140-R152 HydrophobicContact CG-CG 4.1Å | ||
| 141 | P | 77.4 | Confident | 79.4 | Confident | 91 Ų | 91 | 78.4 Ų | 78.4 | 59% | 0.591 | 41% | 0.406 | S | S | * | . | trans | -67 | -26.2 | -173.3 | 24.6 | -33.5 | 0 | 0 | 0 | 113.7 | K143 | P141-K143 PolarHBondContact O-N 3.14Š| ||
| 142 | F | 83.3 | Confident | 79.5 | Confident | 59 Ų | 59 | 75.8 Ų | 75.8 | 26% | 0.259 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 97.9 | -177.6 | -57.3 | -77.7 | 0 | 0 | 0 | 110.3 | K140 A150 C151 R153 R154 L157 | K140-F142 VanDerWaalsContact C-N 3.29Å; K140-F142 PolarHBondContact O-N 3.46Å; F142-A150 CarbonylContact O-C 3.53Å; F142-A150 WeakPolarHBondContact O-CA 3.36Å; F142-C151 PolarHBondContact N-O 2.96Å; F142-C151 VanDerWaalsContact N-O 3.17Å; F142-C151 PolarHBondContact O-N 3.45Å; F142-R153 VanDerWaalsContact CD2-C 3.42Å; F142-R154 HydrophobicContact CD1-CB 4.08Å; F142-R154 HydrophobicContact CE1-CB 3.76Å; F142-R154 HydrophobicContact CE1-CG 4.37Å; F142-R154 HydrophobicContact CZ-CB 4.08Å; F142-L157 HydrophobicContact CB-CB 4.1Å; F142-L157 HydrophobicContact CB-CD2 3.98Å |
| 143 | K | 84.3 | Confident | 79.3 | Confident | 137 Ų | 137 | 79.9 Ų | 79.9 | 60% | 0.596 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95 | 147.4 | 177.8 | -60.4 | 173.6 | -173.9 | 166.9 | 0 | 110.7 | P141 A150 L157 | P141-K143 PolarHBondContact O-N 3.14Å; K143-A150 HydrophobicContact CG-CB 4Å; K143-L157 WeakPolarHBondContact O-CD2 3.32Å |
| 144 | C | 87.2 | Confident | 79.4 | Confident | 12 Ų | 12 | 85 Ų | 85 | 8% | 0.081 | 43% | 0.426 | C | S | . | . | trans | -80.5 | 135.7 | 169.8 | -172.3 | 0 | 0 | 0 | 0 | 110.3 | F146 C147 Y149 L157 H160 | C144-F146 VanDerWaalsContact C-N 3.31Å; C144-F146 PolarHBondContact SG-N 3.16Å; C144-C147 VanDerWaalsContact O-O 3.06Å; C144-Y149 WeakPolarHBondContact CB-O 3.39Å; C144-Y149 PolarHBondContact N-O 3.02Å; C144-L157 HydrophobicContact CB-CD1 4.02Å; C144-H160 PolarHBondContact SG-NE2 3.36Å; C144-H160 VanDerWaalsContact SG-NE2 3.44Å | ||
| 145 | P | 83.7 | Confident | 79.6 | Confident | 85 Ų | 85 | 82.8 Ų | 82.8 | 55% | 0.552 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -73.7 | -23.4 | 173.8 | 30 | -34 | 0 | 0 | 0 | 112.5 | L161 | P145-L161 HydrophobicContact CG-CD2 4.38Š|
| 146 | F | 81.2 | Confident | 80.1 | Confident | 146 Ų | 146 | 80 Ų | 80 | 64% | 0.64 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -93.3 | -15.4 | -174.4 | -54.3 | -60.7 | 0 | 0 | 0 | 114.4 | C144 L161 H164 | C144-F146 VanDerWaalsContact C-N 3.31Å; C144-F146 PolarHBondContact SG-N 3.16Å; F146-L161 HydrophobicContact CD2-CD2 3.96Å; F146-L161 HydrophobicContact CE2-CD2 3.99Å; F146-H164 HydrophobicContact CD2-CB 3.99Å; F146-H164 HydrophobicContact CG-CB 4.45Å |
| 147 | C | 85.4 | Confident | 80.6 | Confident | 51 Ų | 51 | 76.6 Ų | 76.6 | 35% | 0.345 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -160.4 | 171.7 | 177.4 | 74.7 | 0 | 0 | 0 | 0 | 112.8 | C144 Y149 H160 H164 | C144-C147 VanDerWaalsContact O-O 3.06Å; C147-Y149 PolarHBondContact O-N 2.7Å; C147-H160 PolarHBondContact SG-NE2 3.45Å; C147-H160 VanDerWaalsContact SG-NE2 3.36Å; C147-H164 VanDerWaalsContact SG-CE1 3.57Å |
| 148 | S | 82.1 | Confident | 81.5 | Confident | 101 Ų | 101 | 77.6 Ų | 77.6 | 71% | 0.706 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -69.2 | 15.8 | 179.8 | 54.6 | 0 | 0 | 0 | 0 | 116.1 | R405 | S148-R405 PolarHBondContact OG-NH2 2.86Š|
| 149 | Y | 81.9 | Confident | 82.4 | Confident | 88 Ų | 88 | 77.6 Ų | 77.6 | 35% | 0.345 | 40% | 0.398 | S | S | . | . | trans | -73.8 | 133.2 | 173.6 | -178.7 | -96 | 0 | 0 | 0 | 111.2 | C144 C147 C151 H160 | C144-Y149 WeakPolarHBondContact CB-O 3.39Å; C144-Y149 PolarHBondContact N-O 3.02Å; C147-Y149 PolarHBondContact O-N 2.7Å; Y149-C151 HydrophobicContact CE1-CB 3.73Å; Y149-H160 WeakPolarHBondContact CB-NE2 3.49Å; Y149-H160 HydrophobicContact CD1-CB 4.07Å; Y149-H160 AromaticContact CD1-CD2 3.26Å; Y149-H160 WeakPolarHBondContact CD1-CD2 3.45Å; Y149-H160 AromaticContact CD1-CG 3.51Å; Y149-H160 AromaticContact CD1-NE2 3.69Å; Y149-H160 HydrophobicContact CE1-CB 3.78Å; Y149-H160 AromaticContact CE1-CD2 3.91Å; Y149-H160 AromaticContact CE1-CG 3.72Å; Y149-H160 AromaticContact CG-CD2 3.73Å; Y149-H160 AromaticContact CG-CE1 3.85Å; Y149-H160 AromaticContact CG-CG 3.98Å; Y149-H160 AromaticContact CG-NE2 3.64Å | ||
| 150 | A | 83.8 | Confident | 83.2 | Confident | 25 Ų | 25 | 74.5 Ų | 74.5 | 21% | 0.207 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 139.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | K140 F142 K143 | K140-A150 HydrophobicContact CB-CB 3.89Å; K140-A150 HydrophobicContact CD-CB 4.33Å; K140-A150 WeakPolarHBondContact CD-O 3.31Å; F142-A150 CarbonylContact O-C 3.53Å; F142-A150 WeakPolarHBondContact O-CA 3.36Å; K143-A150 HydrophobicContact CG-CB 4Å |
| 151 | C | 82.3 | Confident | 83.6 | Confident | 11 Ų | 11 | 71.2 Ų | 71.2 | 7% | 0.074 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 175.4 | -174.8 | 70.9 | 0 | 0 | 0 | 0 | 112.5 | K140 F142 Y149 R153 A156 | K140-C151 CarbonylContact C-O 3.57Å; K140-C151 WeakPolarHBondContact CA-O 3.5Å; F142-C151 PolarHBondContact N-O 2.96Å; F142-C151 VanDerWaalsContact N-O 3.17Å; F142-C151 PolarHBondContact O-N 3.45Å; Y149-C151 HydrophobicContact CE1-CB 3.73Å; C151-R153 PolarHBondContact SG-O 3.05Å; C151-A156 HydrophobicContact CB-CB 4.4Å |
| 152 | R | 81.3 | Confident | 84 | Confident | 84 Ų | 84 | 76 Ų | 76 | 32% | 0.317 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -99.5 | -0.4 | -172.8 | -49.2 | -153.5 | 175 | 123.3 | -5.4 | 114.6 | K134 L135 G138 E139 K140 | K134-R152 WeakPolarHBondContact O-CD 3.48Å; L135-R152 PolarHBondContact O-NH1 3.31Å; G138-R152 VanDerWaalsContact C-NH2 3.34Å; G138-R152 VanDerWaalsContact CA-NH2 3.31Å; G138-R152 PolarHBondContact O-NE 2.69Å; G138-R152 VanDerWaalsContact O-NE 3.11Å; G138-R152 PolarHBondContact O-NH2 2.89Å; E139-R152 WeakPolarHBondContact O-CD 3.47Å; E139-R152 WeakPolarHBondContact O-CG 3.27Å; E139-R152 PolarHBondContact O-NE 3.01Å; K140-R152 HydrophobicContact CG-CG 4.1Å |
| 153 | R | 79.1 | Confident | 83.9 | Confident | 114 Ų | 114 | 77.5 Ų | 77.5 | 43% | 0.43 | 39% | 0.392 | S | S | . | . | trans | -140.3 | 140.8 | -178.1 | -39.3 | -161.7 | -45.2 | -131.1 | 12.3 | 111.8 | F142 C151 D155 A156 L157 | F142-R153 VanDerWaalsContact CD2-C 3.42Å; C151-R153 PolarHBondContact SG-O 3.05Å; R153-D155 WeakPolarHBondContact CB-OD1 3.38Å; R153-D155 IonicContact CZ-OD1 2.82Å; R153-D155 IonicContact CZ-OD2 2.78Å; R153-D155 IonicContact NE-OD1 3.6Å; R153-D155 PolarHBondContact NE-OD1 2.75Å; R153-D155 IonicContact NE-OD2 3.4Å; R153-D155 PolarHBondContact NE-OD2 2.69Å; R153-D155 IonicContact NH2-OD1 3.54Å; R153-D155 IonicContact NH2-OD2 2.68Å; R153-D155 PolarHBondContact NH2-OD2 3Å; R153-D155 PolarHBondContact O-N 3.02Å; R153-A156 HydrophobicContact CB-CB 4.21Å; R153-A156 PolarHBondContact O-N 3Å; R153-L157 PolarHBondContact O-N 2.92Å | ||
| 154 | R | 82 | Confident | 83.7 | Confident | 180 Ų | 180 | 74.3 Ų | 74.3 | 68% | 0.679 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -59.4 | -43.1 | 177.5 | -174.1 | -179.4 | -75.6 | 164.2 | -6.1 | 112.4 | F142 A156 L157 T158 | F142-R154 HydrophobicContact CD1-CB 4.08Å; F142-R154 HydrophobicContact CE1-CB 3.76Å; F142-R154 HydrophobicContact CE1-CG 4.37Å; F142-R154 HydrophobicContact CZ-CB 4.08Å; R154-A156 PolarHBondContact O-N 3.49Å; R154-L157 CarbonylContact O-C 3.48Å; R154-L157 WeakPolarHBondContact O-CA 3.49Å; R154-L157 WeakPolarHBondContact O-CB 3.37Å; R154-L157 PolarHBondContact O-N 3.47Å; R154-L157 VanDerWaalsContact O-N 3.1Å; R154-T158 PolarHBondContact O-N 2.95Å; R154-T158 PolarHBondContact O-OG1 2.78Å; R154-T158 VanDerWaalsContact O-OG1 3.08Å |
| 155 | D | 83.6 | Confident | 83.1 | Confident | 88 Ų | 88 | 77.2 Ų | 77.2 | 47% | 0.471 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.2 | -37 | 179.3 | 64.6 | -27.3 | 0 | 0 | 0 | 113.1 | R153 L157 T158 G159 | R153-D155 WeakPolarHBondContact CB-OD1 3.38Å; R153-D155 IonicContact CZ-OD1 2.82Å; R153-D155 IonicContact CZ-OD2 2.78Å; R153-D155 IonicContact NE-OD1 3.6Å; R153-D155 PolarHBondContact NE-OD1 2.75Å; R153-D155 IonicContact NE-OD2 3.4Å; R153-D155 PolarHBondContact NE-OD2 2.69Å; R153-D155 IonicContact NH2-OD1 3.54Å; R153-D155 IonicContact NH2-OD2 2.68Å; R153-D155 PolarHBondContact NH2-OD2 3Å; R153-D155 PolarHBondContact O-N 3.02Å; D155-L157 VanDerWaalsContact C-N 3.32Å; D155-T158 PolarHBondContact O-N 3.41Å; D155-G159 PolarHBondContact O-N 3.04Å |
| 156 | A | 83.6 | Confident | 81.7 | Confident | 31 Ų | 31 | 79.4 Ų | 79.4 | 26% | 0.256 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -66.4 | -33.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | C151 R153 R154 H160 | C151-A156 HydrophobicContact CB-CB 4.4Å; R153-A156 HydrophobicContact CB-CB 4.21Å; R153-A156 PolarHBondContact O-N 3Å; R154-A156 PolarHBondContact O-N 3.49Å; A156-H160 WeakPolarHBondContact O-CB 3.26Å; A156-H160 PolarHBondContact O-N 2.96Å; A156-H160 VanDerWaalsContact O-N 3.15Å |
| 157 | L | 87.3 | Confident | 80.3 | Confident | 4 Ų | 4 | 76.9 Ų | 76.9 | 2% | 0.021 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -69.6 | -45.6 | 169.5 | 178.5 | 61 | 0 | 0 | 0 | 111.2 | L84 F142 K143 C144 R153 R154 D155 G159 H160 L161 | L84-L157 HydrophobicContact CD1-CD2 4.33Å; F142-L157 HydrophobicContact CB-CB 4.1Å; F142-L157 HydrophobicContact CB-CD2 3.98Å; K143-L157 WeakPolarHBondContact O-CD2 3.32Å; C144-L157 HydrophobicContact CB-CD1 4.02Å; R153-L157 PolarHBondContact O-N 2.92Å; R154-L157 CarbonylContact O-C 3.48Å; R154-L157 WeakPolarHBondContact O-CA 3.49Å; R154-L157 WeakPolarHBondContact O-CB 3.37Å; R154-L157 PolarHBondContact O-N 3.47Å; R154-L157 VanDerWaalsContact O-N 3.1Å; D155-L157 VanDerWaalsContact C-N 3.32Å; L157-G159 VanDerWaalsContact C-N 3.3Å; L157-G159 PolarHBondContact O-N 3.09Å; L157-H160 CarbonylContact O-C 3.59Å; L157-H160 WeakPolarHBondContact O-CA 3.24Å; L157-H160 WeakPolarHBondContact O-CB 3.46Å; L157-H160 PolarHBondContact O-N 3Å; L157-L161 HydrophobicContact CD1-CD2 4.41Å; L157-L161 HydrophobicContact CD1-CG 4.2Å; L157-L161 HydrophobicContact CG-CD1 4.24Å; L157-L161 HydrophobicContact CG-CG 4.29Å; L157-L161 WeakPolarHBondContact O-CG 3.37Å; L157-L161 PolarHBondContact O-N 3.06Å |
| 158 | T | 88 | Confident | 78.4 | Confident | 70 Ų | 70 | 79.4 Ų | 79.4 | 43% | 0.429 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -57.8 | -41.6 | 177.1 | -53.6 | 0 | 0 | 0 | 0 | 112.1 | R154 D155 L161 | R154-T158 PolarHBondContact O-N 2.95Å; R154-T158 PolarHBondContact O-OG1 2.78Å; R154-T158 VanDerWaalsContact O-OG1 3.08Å; D155-T158 PolarHBondContact O-N 3.41Å; T158-L161 PolarHBondContact O-N 2.99Å |
| 159 | G | 85.5 | Confident | 76.3 | Confident | 40 Ų | 40 | 83.4 Ų | 83.4 | 41% | 0.412 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.5 | -39.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D155 L157 R162 | D155-G159 PolarHBondContact O-N 3.04Å; L157-G159 VanDerWaalsContact C-N 3.3Å; L157-G159 PolarHBondContact O-N 3.09Å; G159-R162 WeakPolarHBondContact O-CB 3.47Å; G159-R162 PolarHBondContact O-N 3.43Å |
| 160 | H | 87.4 | Confident | 74.3 | Confident | 30 Ų | 30 | 87.2 Ų | 87.2 | 14% | 0.139 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -69.6 | -35.3 | 175.9 | 174.5 | 63.6 | 0 | 0 | 0 | 113.6 | C144 C147 Y149 A156 L157 R162 T163 H164 | C144-H160 PolarHBondContact SG-NE2 3.36Å; C144-H160 VanDerWaalsContact SG-NE2 3.44Å; C147-H160 PolarHBondContact SG-NE2 3.45Å; C147-H160 VanDerWaalsContact SG-NE2 3.36Å; Y149-H160 WeakPolarHBondContact CB-NE2 3.49Å; Y149-H160 HydrophobicContact CD1-CB 4.07Å; Y149-H160 AromaticContact CD1-CD2 3.26Å; Y149-H160 WeakPolarHBondContact CD1-CD2 3.45Å; Y149-H160 AromaticContact CD1-CG 3.51Å; Y149-H160 AromaticContact CD1-NE2 3.69Å; Y149-H160 HydrophobicContact CE1-CB 3.78Å; Y149-H160 AromaticContact CE1-CD2 3.91Å; Y149-H160 AromaticContact CE1-CG 3.72Å; Y149-H160 AromaticContact CG-CD2 3.73Å; Y149-H160 AromaticContact CG-CE1 3.85Å; Y149-H160 AromaticContact CG-CG 3.98Å; Y149-H160 AromaticContact CG-NE2 3.64Å; A156-H160 WeakPolarHBondContact O-CB 3.26Å; A156-H160 PolarHBondContact O-N 2.96Å; A156-H160 VanDerWaalsContact O-N 3.15Å; L157-H160 CarbonylContact O-C 3.59Å; L157-H160 WeakPolarHBondContact O-CA 3.24Å; L157-H160 WeakPolarHBondContact O-CB 3.46Å; L157-H160 PolarHBondContact O-N 3Å; H160-R162 PolarHBondContact O-N 3.38Å; H160-T163 PolarHBondContact ND1-OG1 3.48Å; H160-T163 PolarHBondContact O-N 3.42Å; H160-T163 PolarHBondContact O-OG1 3.36Å; H160-H164 AromaticContact CD2-NE2 3.82Å; H160-H164 AromaticContact CE1-NE2 3.25Å; H160-H164 PolarHBondContact CE1-NE2 2.93Å; H160-H164 AromaticContact NE2-CD2 3.72Å; H160-H164 AromaticContact NE2-NE2 2.94Å; H160-H164 PolarHBondContact NE2-NE2 2.96Å |
| 161 | L | 84.8 | Confident | 72 | Confident | 49 Ų | 49 | 93.2 Ų | 93.2 | 26% | 0.257 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.7 | -31.1 | 176.4 | -71.2 | 172.5 | 0 | 0 | 0 | 111.8 | P145 F146 L157 T158 T163 H164 S165 | P145-L161 HydrophobicContact CG-CD2 4.38Å; F146-L161 HydrophobicContact CD2-CD2 3.96Å; F146-L161 HydrophobicContact CE2-CD2 3.99Å; L157-L161 HydrophobicContact CD1-CD2 4.41Å; L157-L161 HydrophobicContact CD1-CG 4.2Å; L157-L161 HydrophobicContact CG-CD1 4.24Å; L157-L161 HydrophobicContact CG-CG 4.29Å; L157-L161 WeakPolarHBondContact O-CG 3.37Å; L157-L161 PolarHBondContact O-N 3.06Å; T158-L161 PolarHBondContact O-N 2.99Å; L161-T163 PolarHBondContact O-N 3.26Å; L161-H164 PolarHBondContact O-N 3.11Å; L161-S165 PolarHBondContact O-N 2.89Å |
| 162 | R | 86.3 | Confident | 69.5 | Low | 190 Ų | 190 | 98.7 Ų | 98.7 | 72% | 0.717 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -16.8 | 172.8 | -62.7 | 177.7 | 179.3 | -178.8 | -2.2 | 114 | G159 H160 | G159-R162 WeakPolarHBondContact O-CB 3.47Å; G159-R162 PolarHBondContact O-N 3.43Å; H160-R162 PolarHBondContact O-N 3.38Å |
| 163 | T | 80.8 | Confident | 67.4 | Low | 91 Ų | 91 | 103.6 Ų | 103.6 | 56% | 0.558 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -10.5 | 173.1 | 74.8 | 0 | 0 | 0 | 0 | 113.4 | H160 L161 | H160-T163 PolarHBondContact ND1-OG1 3.48Å; H160-T163 PolarHBondContact O-N 3.42Å; H160-T163 PolarHBondContact O-OG1 3.36Å; L161-T163 PolarHBondContact O-N 3.26Å |
| 164 | H | 79.5 | Confident | 65.1 | Low | 70 Ų | 70 | 106.4 Ų | 106.4 | 32% | 0.324 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.1 | -22.1 | 169.4 | -61.4 | -81.8 | 0 | 0 | 0 | 111.9 | F146 C147 H160 L161 V166 | F146-H164 HydrophobicContact CD2-CB 3.99Å; F146-H164 HydrophobicContact CG-CB 4.45Å; C147-H164 VanDerWaalsContact SG-CE1 3.57Å; H160-H164 AromaticContact CD2-NE2 3.82Å; H160-H164 AromaticContact CE1-NE2 3.25Å; H160-H164 PolarHBondContact CE1-NE2 2.93Å; H160-H164 AromaticContact NE2-CD2 3.72Å; H160-H164 AromaticContact NE2-NE2 2.94Å; H160-H164 PolarHBondContact NE2-NE2 2.96Å; L161-H164 PolarHBondContact O-N 3.11Å; H164-V166 PolarHBondContact O-N 3.33Å; H164-V166 VanDerWaalsContact O-N 3.1Å |
| 165 | S | 75.5 | Confident | 62.7 | Low | 74 Ų | 74 | 106.9 Ų | 106.9 | 52% | 0.517 | 57% | 0.573 | S | S | . | * | trans | -72.6 | 90.9 | 170.1 | -177.9 | 0 | 0 | 0 | 0 | 110.8 | L161 P167 | L161-S165 PolarHBondContact O-N 2.89Å; S165-P167 WeakPolarHBondContact O-CD 3.36Å | ||
| 166 | V | 55.2 | Low | 60.3 | Low | 130 Ų | 130 | 110.4 Ų | 110.4 | 79% | 0.788 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 116.7 | 153.2 | -179.8 | 0 | 0 | 0 | 0 | 105.9 | H164 | H164-V166 PolarHBondContact O-N 3.33Å; H164-V166 VanDerWaalsContact O-N 3.1Å |
| 167 | P | 50.5 | Low | 58 | Low | 93 Ų | 93 | 113.6 Ų | 113.6 | 60% | 0.604 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -63 | 139.2 | 175.7 | 27.6 | -33.4 | 0 | 0 | 0 | 108.7 | S165 M169 | S165-P167 WeakPolarHBondContact O-CD 3.36Å; P167-M169 PolarHBondContact O-N 3.36Å |
| 168 | P | 46.4 | Very low | 55.5 | Low | 104 Ų | 104 | 121 Ų | 121 | 68% | 0.675 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 141.6 | 162.4 | -21.1 | 32.6 | 0 | 0 | 0 | 109 | E170 | P168-E170 HydrophobicContact CB-CG 4.37Å; P168-E170 PolarHBondContact O-N 2.94Å |
| 169 | M | 37.3 | Very low | 52.7 | Low | 186 Ų | 186 | 125.6 Ų | 125.6 | 92% | 0.916 | 66% | 0.661 | S | S | * | * | trans | -73.9 | 85.1 | 162.7 | -65.3 | -136.6 | 72.4 | 0 | 0 | 107.4 | P167 | P167-M169 PolarHBondContact O-N 3.36Š| ||
| 170 | E | 39.6 | Very low | 50 | Low | 168 Ų | 168 | 131 Ų | 131 | 79% | 0.785 | 68% | 0.681 | S | S | * | * | trans | -66.5 | 130.2 | 164.5 | -62.1 | -167.9 | 144 | 0 | 0 | 108 | P168 C172 | P168-E170 HydrophobicContact CB-CG 4.37Å; P168-E170 PolarHBondContact O-N 2.94Å; E170-C172 PolarHBondContact O-N 3.21Å | ||
| 171 | D | 37 | Very low | 47.5 | Very low | 150 Ų | 150 | 137 Ų | 137 | 80% | 0.802 | 71% | 0.714 | S | S | * | * | trans | -55.9 | 131.9 | -179.1 | -63.7 | -69.5 | 0 | 0 | 0 | 110.7 | K173 | D171-K173 VanDerWaalsContact C-N 3.26Å; D171-K173 PolarHBondContact O-N 3.5Å | ||
| 172 | C | 29.4 | Very low | 44.9 | Very low | 126 Ų | 126 | 141.7 Ų | 141.7 | 85% | 0.851 | 74% | 0.739 | S | S | * | * | trans | -64.3 | 83.9 | 174.5 | -70.6 | 0 | 0 | 0 | 0 | 111.1 | E170 E174 | E170-C172 PolarHBondContact O-N 3.21Å; C172-E174 VanDerWaalsContact C-N 3.33Å; C172-E174 PolarHBondContact O-N 3.41Å | ||
| 173 | K | 35.6 | Very low | 42.2 | Very low | 187 Ų | 187 | 139.9 Ų | 139.9 | 81% | 0.813 | 74% | 0.742 | S | S | * | * | trans | -73.5 | 92.3 | 161.1 | -76.6 | -177.8 | 179 | 172 | 0 | 108.4 | D171 Q175 | D171-K173 VanDerWaalsContact C-N 3.26Å; D171-K173 PolarHBondContact O-N 3.5Å; K173-Q175 PolarHBondContact O-N 3.23Å; K173-Q175 VanDerWaalsContact O-N 3.09Å | ||
| 174 | E | 32.7 | Very low | 39.7 | Very low | 173 Ų | 173 | 141 Ų | 141 | 81% | 0.808 | 75% | 0.754 | S | S | * | * | trans | -49.2 | 112.4 | 165.5 | -63.9 | 170.6 | 150.4 | 0 | 0 | 109.1 | C172 E176 | C172-E174 VanDerWaalsContact C-N 3.33Å; C172-E174 PolarHBondContact O-N 3.41Å; E174-E176 PolarHBondContact O-N 3.44Å | ||
| 175 | Q | 30.9 | Very low | 37.4 | Very low | 190 Ų | 190 | 144.9 Ų | 144.9 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | trans | -89.6 | 85.4 | 167.8 | -73.3 | -169.2 | 0.7 | 0 | 0 | 108.2 | K173 | K173-Q175 PolarHBondContact O-N 3.23Å; K173-Q175 VanDerWaalsContact O-N 3.09Å | ||
| 176 | E | 32.8 | Very low | 35.1 | Very low | 163 Ų | 163 | 147.9 Ų | 147.9 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 140.7 | 164.7 | -82.1 | -67.5 | 108.7 | 0 | 0 | 110.1 | E174 | E174-E176 PolarHBondContact O-N 3.44Š|
| 177 | P | 34.5 | Very low | 34.3 | Very low | 97 Ų | 97 | 147 Ų | 147 | 63% | 0.63 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 150.1 | -172.2 | 29 | -35.3 | 0 | 0 | 0 | 112.7 | M179 | P177-M179 PolarHBondContact O-N 2.95Š|
| 178 | I | 34.7 | Very low | 33.1 | Very low | 161 Ų | 161 | 152.5 Ų | 152.5 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 121.7 | 176.7 | -57.7 | 171.8 | 0 | 0 | 0 | 109.5 | ||
| 179 | M | 31 | Very low | 32.2 | Very low | 165 Ų | 165 | 155.9 Ų | 155.9 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | trans | -127.8 | 126.1 | 165.8 | -60.9 | -160 | -61.3 | 0 | 0 | 109.1 | P177 | P177-M179 PolarHBondContact O-N 2.95Š| ||
| 180 | D | 29 | Very low | 31.9 | Very low | 154 Ų | 154 | 158.4 Ų | 158.4 | 82% | 0.824 | 81% | 0.809 | S | S | * | * | trans | -71 | 143.2 | -172.1 | -78.1 | -60.2 | 0 | 0 | 0 | 113.7 | N182 | D180-N182 PolarHBondContact O-N 3.09Š| ||
| 181 | N | 33.2 | Very low | 31.5 | Very low | 155 Ų | 155 | 156.4 Ų | 156.4 | 83% | 0.829 | 81% | 0.81 | S | S | * | * | trans | -62.6 | 130 | -175.9 | -76.2 | -75.1 | 0 | 0 | 0 | 113 | ||||
| 182 | N | 31.5 | Very low | 31.1 | Very low | 149 Ų | 149 | 153.8 Ų | 153.8 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | trans | -147.6 | 117.8 | 150.8 | -101.8 | -60.1 | 0 | 0 | 0 | 113.6 | D180 | D180-N182 PolarHBondContact O-N 3.09Š| ||
| 183 | I | 30 | Very low | 31.1 | Very low | 151 Ų | 151 | 154.1 Ų | 154.1 | 77% | 0.774 | 81% | 0.808 | S | S | * | * | trans | 76.2 | 92.6 | 151.8 | -50 | 174.6 | 0 | 0 | 0 | 118.5 | ||||
| 184 | S | 27.8 | Very low | 30.8 | Very low | 114 Ų | 114 | 152.6 Ų | 152.6 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | 70.7 | 128.2 | 129 | -152.8 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 185 | L | 31.5 | Very low | 30.8 | Very low | 152 Ų | 152 | 152.6 Ų | 152.6 | 80% | 0.796 | 81% | 0.807 | S | S | * | * | trans | -55.4 | 160.4 | 152.4 | -57.7 | 164.8 | 0 | 0 | 0 | 110.3 | ||||
| 186 | V | 27.4 | Very low | 31.1 | Very low | 137 Ų | 137 | 152.6 Ų | 152.6 | 83% | 0.83 | 80% | 0.804 | S | S | * | * | cis | -146.8 | 173.5 | 47.2 | -107.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 187 | P | 37.9 | Very low | 31 | Very low | 113 Ų | 113 | 153 Ų | 153 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | trans | -98.7 | 170.3 | -148.3 | 38.7 | -37.2 | 0 | 0 | 0 | 115.9 | ||||
| 188 | F | 24.3 | Very low | 31 | Very low | 207 Ų | 207 | 155 Ų | 155 | 91% | 0.908 | 82% | 0.821 | S | S | * | * | trans | -135 | 161.4 | 162.1 | -126 | -93.6 | 0 | 0 | 0 | 112.2 | ||||
| 189 | E | 28.7 | Very low | 30.8 | Very low | 176 Ų | 176 | 151.3 Ų | 151.3 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 158.5 | -158.3 | -59.9 | -178.2 | 123.4 | 0 | 0 | 115.5 | P191 | E189-P191 WeakPolarHBondContact O-CD 3.36Š|
| 190 | R | 29.7 | Very low | 31.1 | Very low | 239 Ų | 239 | 151.1 Ų | 151.1 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -91 | 116.1 | 179 | -176.5 | -176.6 | -166.1 | 155.8 | 4.9 | 110.5 | A192 | R190-A192 PolarHBondContact O-N 3.05Š|
| 191 | P | 31.8 | Very low | 31.4 | Very low | 125 Ų | 125 | 152.8 Ų | 152.8 | 81% | 0.812 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 132.7 | 172.9 | -20.4 | 33.5 | 0 | 0 | 0 | 111.3 | E189 | E189-P191 WeakPolarHBondContact O-CD 3.36Š|
| 192 | A | 29.3 | Very low | 31.3 | Very low | 96 Ų | 96 | 148.7 Ų | 148.7 | 79% | 0.793 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 147.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | R190 | R190-A192 PolarHBondContact O-N 3.05Š|
| 193 | V | 27.9 | Very low | 31.6 | Very low | 133 Ų | 133 | 151.3 Ų | 151.3 | 81% | 0.806 | 82% | 0.82 | S | S | * | * | trans | -162.2 | 136.8 | 152 | 125.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 194 | I | 29.3 | Very low | 31.8 | Very low | 155 Ų | 155 | 155.9 Ų | 155.9 | 80% | 0.795 | 83% | 0.828 | S | S | * | * | trans | 60.9 | 67.7 | 177.9 | -54.8 | 153.9 | 0 | 0 | 0 | 114.9 | ||||
| 195 | E | 33.1 | Very low | 32.1 | Very low | 172 Ų | 172 | 160.3 Ų | 160.3 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | trans | -77.1 | 127.7 | 131.4 | 176.3 | -172.9 | -137.2 | 0 | 0 | 107.9 | ||||
| 196 | K | 37.3 | Very low | 32.3 | Very low | 191 Ų | 191 | 159 Ų | 159 | 83% | 0.83 | 84% | 0.836 | S | S | * | * | trans | 174.4 | 97.8 | 155.7 | -100.7 | 156.2 | -173 | 175.2 | 0 | 111.7 | ||||
| 197 | L | 31.2 | Very low | 32.4 | Very low | 170 Ų | 170 | 158.1 Ų | 158.1 | 89% | 0.89 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -176 | 3.8 | 140.2 | -104.7 | 169.4 | 0 | 0 | 0 | 114.9 | A199 | L197-A199 PolarHBondContact O-N 3.09Š|
| 198 | T | 33.8 | Very low | 32.3 | Very low | 139 Ų | 139 | 158.9 Ų | 158.9 | 85% | 0.853 | 84% | 0.839 | S | S | * | * | trans | -98.8 | 49.8 | 177.8 | 44.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 199 | A | 32.3 | Very low | 32.7 | Very low | 84 Ų | 84 | 155.2 Ų | 155.2 | 69% | 0.694 | 84% | 0.836 | S | S | * | * | trans | -132.6 | 64.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L197 | L197-A199 PolarHBondContact O-N 3.09Š| ||
| 200 | N | 35.8 | Very low | 32.9 | Very low | 161 Ų | 161 | 155.2 Ų | 155.2 | 86% | 0.861 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -172.8 | 92.7 | 150.7 | -98.1 | -28.2 | 0 | 0 | 0 | 112.7 | ||
| 201 | M | 34.8 | Very low | 33.4 | Very low | 190 Ų | 190 | 153.2 Ų | 153.2 | 94% | 0.936 | 83% | 0.834 | S | S | * | * | 178.4 | 81.8 | 129.7 | -94.7 | -54.9 | 174.8 | 0 | 0 | 109.2 | |||||
| 202 | G | 32.4 | Very low | 33.1 | Very low | 68 Ų | 68 | 156.5 Ų | 156.5 | 70% | 0.701 | 84% | 0.836 | S | S | * | * | trans | -79.8 | 132.3 | -178 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 203 | K | 37.3 | Very low | 33.4 | Very low | 204 Ų | 204 | 158.5 Ų | 158.5 | 89% | 0.887 | 84% | 0.838 | S | S | * | * | trans | 63.3 | 101.7 | 143.8 | -49.8 | 169.5 | -172 | 176.2 | 0 | 117.5 | ||||
| 204 | R | 34.3 | Very low | 33.5 | Very low | 247 Ų | 247 | 155.6 Ų | 155.6 | 93% | 0.932 | 84% | 0.835 | S | S | * | * | trans | -132.8 | 103 | 138 | -71.4 | -163 | -177.7 | -166.2 | 2.6 | 112.1 | ||||
| 205 | K | 34.7 | Very low | 34 | Very low | 207 Ų | 207 | 157.5 Ų | 157.5 | 90% | 0.9 | 84% | 0.84 | S | S | * | * | trans | 14.8 | 140.3 | 152.1 | -56.3 | -178.3 | -179.3 | -177.5 | 0 | 119.7 | ||||
| 206 | S | 34.8 | Very low | 33.9 | Very low | 125 Ų | 125 | 159.1 Ų | 159.1 | 87% | 0.874 | 85% | 0.845 | S | S | * | * | trans | -64.4 | 152.3 | 169.4 | 45.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 207 | S | 29.5 | Very low | 33.9 | Very low | 119 Ų | 119 | 157.4 Ų | 157.4 | 83% | 0.832 | 84% | 0.844 | S | S | * | * | trans | -144.7 | 157.8 | 155.6 | 55.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 208 | T | 37.2 | Very low | 33.6 | Very low | 129 Ų | 129 | 156.8 Ų | 156.8 | 79% | 0.791 | 84% | 0.838 | S | S | * | * | trans | -76.2 | 158.3 | -175.3 | 27 | 0 | 0 | 0 | 0 | 113.3 | Q210 | T208-Q210 PolarHBondContact O-N 2.86Š| ||
| 209 | P | 32.3 | Very low | 33.7 | Very low | 129 Ų | 129 | 161 Ų | 161 | 84% | 0.838 | 84% | 0.839 | S | S | * | * | trans | -71.8 | 114.2 | -177.6 | 28.8 | -34.7 | 0 | 0 | 0 | 111.7 | ||||
| 210 | Q | 31.9 | Very low | 33.4 | Very low | 177 Ų | 177 | 166.1 Ų | 166.1 | 83% | 0.827 | 85% | 0.845 | S | S | * | * | trans | -95.9 | 114.2 | 174 | -173.8 | 168.1 | -4.5 | 0 | 0 | 110.3 | T208 | T208-Q210 PolarHBondContact O-N 2.86Š| ||
| 211 | K | 40.3 | Very low | 33.2 | Very low | 197 Ų | 197 | 163.7 Ų | 163.7 | 86% | 0.857 | 84% | 0.841 | S | S | * | * | trans | -65.1 | 138.3 | 169.5 | -68.6 | -179.3 | 176.6 | -179.1 | 0 | 110 | ||||
| 212 | F | 26.4 | Very low | 33.1 | Very low | 193 Ų | 193 | 164.7 Ų | 164.7 | 85% | 0.846 | 84% | 0.836 | S | S | * | * | trans | -146 | 153.7 | 152.1 | -131.8 | -91.5 | 0 | 0 | 0 | 111 | ||||
| 213 | V | 35.9 | Very low | 33.4 | Very low | 139 Ų | 139 | 166.7 Ų | 166.7 | 84% | 0.842 | 84% | 0.837 | S | S | * | * | trans | -116.3 | 137.7 | 178.9 | 175.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 214 | G | 29.4 | Very low | 33.5 | Very low | 72 Ų | 72 | 164.4 Ų | 164.4 | 74% | 0.742 | 83% | 0.834 | S | S | * | * | trans | 169.9 | 119.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 215 | E | 40.1 | Very low | 33.5 | Very low | 195 Ų | 195 | 159.2 Ų | 159.2 | 91% | 0.911 | 82% | 0.823 | S | S | * | * | trans | -69.3 | 142.6 | 165.2 | -58.4 | 165.3 | 103.7 | 0 | 0 | 110 | ||||
| 216 | K | 31.2 | Very low | 33.6 | Very low | 206 Ų | 206 | 158.6 Ų | 158.6 | 90% | 0.896 | 82% | 0.823 | S | S | * | * | trans | -161.5 | 128.9 | 135.8 | -115.7 | 163.8 | -172.1 | 175.6 | 0 | 113.6 | ||||
| 217 | L | 37.2 | Very low | 33.6 | Very low | 155 Ų | 155 | 161.1 Ų | 161.1 | 81% | 0.812 | 82% | 0.819 | S | S | * | * | trans | -63.2 | 131.8 | 169.3 | 176.7 | 70.9 | 0 | 0 | 0 | 110.9 | ||||
| 218 | M | 23.9 | Very low | 34.2 | Very low | 157 Ų | 157 | 160.9 Ų | 160.9 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | -142.1 | 125.5 | 159.2 | -86.5 | -63.1 | -123.5 | 0 | 0 | 110 | F220 | M218-F220 HydrophobicContact CE-CE2 4Š| ||
| 219 | R | 36.1 | Very low | 34.7 | Very low | 228 Ų | 228 | 160.7 Ų | 160.7 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -90 | 139.4 | 162.4 | -76.9 | 177.4 | 168.5 | 167 | -5.3 | 108.6 | ||||
| 220 | F | 25.7 | Very low | 35.5 | Very low | 190 Ų | 190 | 159.4 Ų | 159.4 | 83% | 0.833 | 79% | 0.786 | S | S | * | * | trans | -142.9 | 157 | 151.5 | -92.6 | -73.3 | 0 | 0 | 0 | 110.2 | M218 | M218-F220 HydrophobicContact CE-CE2 4Š| ||
| 221 | S | 31.2 | Very low | 36.1 | Very low | 111 Ų | 111 | 155.7 Ų | 155.7 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | -94.1 | 165.6 | -168.2 | 47.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 222 | Y | 32.8 | Very low | 36.7 | Very low | 210 Ų | 210 | 150.3 Ų | 150.3 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | trans | -57.3 | 160.6 | 178.7 | -92.7 | -104.8 | 0 | 0 | 0 | 115.1 | ||||
| 223 | P | 39.6 | Very low | 37.9 | Very low | 110 Ų | 110 | 148.3 Ų | 148.3 | 71% | 0.714 | 74% | 0.743 | S | S | * | * | -111.8 | 148 | 128.6 | 9.6 | 10.2 | 0 | 0 | 0 | 111.1 | |||||
| 224 | D | 40.1 | Very low | 38.8 | Very low | 156 Ų | 156 | 146.4 Ų | 146.4 | 83% | 0.834 | 73% | 0.725 | S | S | * | * | trans | -71 | 139.4 | -170.8 | -50.4 | -87.9 | 0 | 0 | 0 | 114.2 | ||||
| 225 | I | 32.8 | Very low | 40.2 | Very low | 138 Ų | 138 | 148.9 Ų | 148.9 | 71% | 0.708 | 72% | 0.715 | S | S | * | * | trans | -131.5 | 114 | 164.1 | -56.4 | 178.9 | 0 | 0 | 0 | 107.6 | F227 | I225-F227 HydrophobicContact CG2-CD2 3.74Å; I225-F227 HydrophobicContact CG2-CE2 3.89Å; I225-F227 PolarHBondContact O-N 2.95Å; I225-F227 VanDerWaalsContact O-N 3.12Å | ||
| 226 | H | 37.9 | Very low | 40.8 | Very low | 194 Ų | 194 | 145.6 Ų | 145.6 | 90% | 0.898 | 70% | 0.7 | S | S | * | * | trans | -74.4 | 98.8 | 172.2 | -125.2 | -85.3 | 0 | 0 | 0 | 109 | ||||
| 227 | F | 33.3 | Very low | 42.2 | Very low | 179 Ų | 179 | 137.3 Ų | 137.3 | 79% | 0.785 | 67% | 0.67 | S | S | * | * | trans | -87.2 | 110.9 | 163.7 | -99.7 | -89.2 | 0 | 0 | 0 | 108.5 | I225 M229 | I225-F227 HydrophobicContact CG2-CD2 3.74Å; I225-F227 HydrophobicContact CG2-CE2 3.89Å; I225-F227 PolarHBondContact O-N 2.95Å; I225-F227 VanDerWaalsContact O-N 3.12Å; F227-M229 PolarHBondContact O-N 3.07Å | ||
| 228 | D | 44 | Very low | 43.5 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 61% | 0.61 | 66% | 0.661 | S | S | * | * | trans | -78 | 96.4 | 172.9 | -170.3 | -10 | 0 | 0 | 0 | 109 | N230 | D228-N230 PolarHBondContact OD1-N 3.29Š| ||
| 229 | M | 46 | Very low | 45.6 | Very low | 125 Ų | 125 | 134.5 Ų | 134.5 | 62% | 0.616 | 65% | 0.654 | S | S | * | * | trans | -90.2 | -8.1 | -172.7 | -143.5 | -148.7 | 80.2 | 0 | 0 | 113.7 | F227 | F227-M229 PolarHBondContact O-N 3.07Š| ||
| 230 | N | 48.9 | Very low | 46.9 | Very low | 101 Ų | 101 | 129.6 Ų | 129.6 | 54% | 0.54 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -78.7 | -42.4 | -174 | -71.7 | 11.8 | 0 | 0 | 0 | 111.7 | D228 T232 Y233 E234 | D228-N230 PolarHBondContact OD1-N 3.29Å; N230-T232 PolarHBondContact O-N 2.96Å; N230-T232 VanDerWaalsContact O-N 3.13Å; N230-Y233 PolarHBondContact O-N 3.08Å; N230-E234 WeakPolarHBondContact O-CB 3.27Å; N230-E234 WeakPolarHBondContact O-CG 3.27Å; N230-E234 PolarHBondContact O-N 3.21Å |
| 231 | L | 45.6 | Very low | 48.9 | Very low | 100 Ų | 100 | 125 Ų | 125 | 52% | 0.524 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -68.1 | -17.6 | -167.7 | -148.2 | 80.9 | 0 | 0 | 0 | 115.2 | K235 | L231-K235 WeakPolarHBondContact O-CD 3.41Å |
| 232 | T | 52.8 | Low | 50.7 | Low | 84 Ų | 84 | 122.3 Ų | 122.3 | 52% | 0.515 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -87.7 | -46.8 | 167.6 | 20.3 | 0 | 0 | 0 | 0 | 111.6 | N230 E234 K235 E236 | N230-T232 PolarHBondContact O-N 2.96Å; N230-T232 VanDerWaalsContact O-N 3.13Å; T232-E234 VanDerWaalsContact C-N 3.34Å; T232-E234 PolarHBondContact O-N 2.89Å; T232-K235 PolarHBondContact O-N 2.93Å; T232-K235 VanDerWaalsContact O-N 3.16Å; T232-E236 WeakPolarHBondContact O-CG 3.47Å; T232-E236 PolarHBondContact O-N 3.45Å |
| 233 | Y | 52.4 | Low | 52.7 | Low | 151 Ų | 151 | 117.7 Ų | 117.7 | 59% | 0.592 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -61.6 | -40.9 | -178 | -175.9 | -99.7 | 0 | 0 | 0 | 112.5 | N230 K235 E236 A237 | N230-Y233 PolarHBondContact O-N 3.08Å; Y233-K235 VanDerWaalsContact C-N 3.34Å; Y233-K235 PolarHBondContact O-N 3.32Å; Y233-E236 PolarHBondContact O-N 3.11Å; Y233-A237 VanDerWaalsContact O-CB 3.29Å; Y233-A237 WeakPolarHBondContact O-CB 3.08Å; Y233-A237 PolarHBondContact O-N 2.89Å |
| 234 | E | 54 | Low | 54 | Low | 98 Ų | 98 | 116.7 Ų | 116.7 | 46% | 0.458 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -60.1 | -42.4 | 175.5 | -71.8 | 168.6 | 178 | 0 | 0 | 111.4 | N230 T232 A237 E238 | N230-E234 WeakPolarHBondContact O-CB 3.27Å; N230-E234 WeakPolarHBondContact O-CG 3.27Å; N230-E234 PolarHBondContact O-N 3.21Å; T232-E234 VanDerWaalsContact C-N 3.34Å; T232-E234 PolarHBondContact O-N 2.89Å; E234-A237 PolarHBondContact O-N 3.11Å; E234-E238 WeakPolarHBondContact O-CB 3.13Å; E234-E238 WeakPolarHBondContact O-CG 3.33Å; E234-E238 PolarHBondContact O-N 3.36Å |
| 235 | K | 58.3 | Low | 55.6 | Low | 124 Ų | 124 | 110 Ų | 110 | 54% | 0.539 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -73.2 | -35 | 178.5 | -69.7 | 177.9 | -176.3 | 168.7 | 0 | 113.5 | L231 T232 Y233 A237 L239 | L231-K235 WeakPolarHBondContact O-CD 3.41Å; T232-K235 PolarHBondContact O-N 2.93Å; T232-K235 VanDerWaalsContact O-N 3.16Å; Y233-K235 VanDerWaalsContact C-N 3.34Å; Y233-K235 PolarHBondContact O-N 3.32Å; K235-A237 VanDerWaalsContact C-N 3.34Å; K235-L239 VanDerWaalsContact O-CB 3.27Å; K235-L239 WeakPolarHBondContact O-CB 3.37Å; K235-L239 PolarHBondContact O-N 3.24Å |
| 236 | E | 52.1 | Low | 57.6 | Low | 126 Ų | 126 | 108 Ų | 108 | 59% | 0.589 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -68.5 | -36.5 | 173.7 | -73 | 172.3 | -173.7 | 0 | 0 | 110.7 | T232 Y233 M240 | T232-E236 WeakPolarHBondContact O-CG 3.47Å; T232-E236 PolarHBondContact O-N 3.45Å; Y233-E236 PolarHBondContact O-N 3.11Å; E236-M240 VanDerWaalsContact O-CB 3.26Å; E236-M240 WeakPolarHBondContact O-CB 3.34Å; E236-M240 PolarHBondContact O-N 3.16Å |
| 237 | A | 61.8 | Low | 59.3 | Low | 33 Ų | 33 | 103.1 Ų | 103.1 | 27% | 0.273 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.7 | -44.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y233 E234 K235 L239 M240 Q241 | Y233-A237 VanDerWaalsContact O-CB 3.29Å; Y233-A237 WeakPolarHBondContact O-CB 3.08Å; Y233-A237 PolarHBondContact O-N 2.89Å; E234-A237 PolarHBondContact O-N 3.11Å; K235-A237 VanDerWaalsContact C-N 3.34Å; A237-L239 PolarHBondContact O-N 2.79Å; A237-M240 PolarHBondContact O-N 3.11Å; A237-Q241 VanDerWaalsContact O-CB 3.27Å; A237-Q241 WeakPolarHBondContact O-CB 3.49Å; A237-Q241 PolarHBondContact O-N 2.89Å |
| 238 | E | 64.7 | Low | 61.1 | Low | 131 Ų | 131 | 96.3 Ų | 96.3 | 61% | 0.612 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -57.8 | -45 | 173.7 | -77.5 | 175 | 167.5 | 0 | 0 | 112 | E234 Q241 S242 | E234-E238 WeakPolarHBondContact O-CB 3.13Å; E234-E238 WeakPolarHBondContact O-CG 3.33Å; E234-E238 PolarHBondContact O-N 3.36Å; E238-Q241 PolarHBondContact O-N 2.91Å; E238-S242 PolarHBondContact O-N 2.92Å; E238-S242 PolarHBondContact O-OG 3.29Å |
| 239 | L | 67.6 | Low | 62.5 | Low | 122 Ų | 122 | 92.1 Ų | 92.1 | 64% | 0.639 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -69.2 | -36.6 | 178.8 | -175.9 | 62.6 | 0 | 0 | 0 | 112.6 | K235 A237 S242 H243 | K235-L239 VanDerWaalsContact O-CB 3.27Å; K235-L239 WeakPolarHBondContact O-CB 3.37Å; K235-L239 PolarHBondContact O-N 3.24Å; A237-L239 PolarHBondContact O-N 2.79Å; L239-S242 PolarHBondContact O-OG 2.89Å; L239-S242 VanDerWaalsContact O-OG 3.07Å; L239-H243 WeakPolarHBondContact O-CB 3.13Å; L239-H243 PolarHBondContact O-N 3.02Å; L239-H243 VanDerWaalsContact O-N 3.09Å |
| 240 | M | 64.2 | Low | 63.8 | Low | 125 Ų | 125 | 90.7 Ų | 90.7 | 62% | 0.616 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -67.9 | -40.1 | 173 | -177.3 | 171.3 | 60.5 | 0 | 0 | 111.2 | E236 A237 H243 M244 | E236-M240 VanDerWaalsContact O-CB 3.26Å; E236-M240 WeakPolarHBondContact O-CB 3.34Å; E236-M240 PolarHBondContact O-N 3.16Å; A237-M240 PolarHBondContact O-N 3.11Å; M240-H243 PolarHBondContact O-N 2.86Å; M240-M244 WeakPolarHBondContact O-CB 3.3Å; M240-M244 VanDerWaalsContact O-CG 3.24Å; M240-M244 WeakPolarHBondContact O-CG 3.42Å; M240-M244 PolarHBondContact O-N 2.98Å |
| 241 | Q | 66.8 | Low | 65 | Low | 94 Ų | 94 | 89.8 Ų | 89.8 | 44% | 0.439 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.8 | -42.3 | 178.3 | -175 | 172.4 | -61.4 | 0 | 0 | 111.7 | A237 E238 M245 I272 | A237-Q241 VanDerWaalsContact O-CB 3.27Å; A237-Q241 WeakPolarHBondContact O-CB 3.49Å; A237-Q241 PolarHBondContact O-N 2.89Å; E238-Q241 PolarHBondContact O-N 2.91Å; Q241-M245 VanDerWaalsContact O-CB 3.27Å; Q241-M245 WeakPolarHBondContact O-CB 3.36Å; Q241-M245 PolarHBondContact O-N 2.85Å; Q241-I272 HydrophobicContact CG-CD1 4.27Å |
| 242 | S | 70.1 | Confident | 66.2 | Low | 53 Ų | 53 | 85.2 Ų | 85.2 | 37% | 0.371 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -67.3 | -42.4 | 175.5 | 61.4 | 0 | 0 | 0 | 0 | 112.3 | E238 L239 M244 M245 D246 | E238-S242 PolarHBondContact O-N 2.92Å; E238-S242 PolarHBondContact O-OG 3.29Å; L239-S242 PolarHBondContact O-OG 2.89Å; L239-S242 VanDerWaalsContact O-OG 3.07Å; S242-M244 PolarHBondContact O-N 3.41Å; S242-M245 WeakPolarHBondContact O-CB 3.34Å; S242-M245 PolarHBondContact O-N 3.44Å; S242-M245 VanDerWaalsContact O-N 3.09Å; S242-D246 PolarHBondContact O-N 3.17Å |
| 243 | H | 73.6 | Confident | 67.2 | Low | 114 Ų | 114 | 83.7 Ų | 83.7 | 53% | 0.528 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.7 | -43.1 | 175.1 | -178.8 | -77 | 0 | 0 | 0 | 112.6 | L239 M240 M245 Q247 | L239-H243 WeakPolarHBondContact O-CB 3.13Å; L239-H243 PolarHBondContact O-N 3.02Å; L239-H243 VanDerWaalsContact O-N 3.09Å; M240-H243 PolarHBondContact O-N 2.86Å; H243-M245 VanDerWaalsContact C-N 3.26Å; H243-M245 PolarHBondContact O-N 3.26Å; H243-Q247 WeakPolarHBondContact O-CB 3.33Å; H243-Q247 PolarHBondContact O-N 2.98Å |
| 244 | M | 67.6 | Low | 68.1 | Low | 89 Ų | 89 | 81.8 Ų | 81.8 | 44% | 0.438 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.2 | -33.8 | 174.7 | -71.1 | -70.2 | 97.6 | 0 | 0 | 112.4 | M240 S242 Q247 A248 I272 | M240-M244 WeakPolarHBondContact O-CB 3.3Å; M240-M244 VanDerWaalsContact O-CG 3.24Å; M240-M244 WeakPolarHBondContact O-CG 3.42Å; M240-M244 PolarHBondContact O-N 2.98Å; S242-M244 PolarHBondContact O-N 3.41Å; M244-Q247 VanDerWaalsContact CE-OE1 3.24Å; M244-A248 WeakPolarHBondContact O-CB 3.32Å; M244-A248 PolarHBondContact O-N 2.89Å; M244-I272 HydrophobicContact CB-CD1 3.96Å |
| 245 | M | 73.9 | Confident | 68.7 | Low | 14 Ų | 14 | 85.5 Ų | 85.5 | 7% | 0.069 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -72.6 | -46.5 | 178.8 | -171.4 | 159 | 152.5 | 0 | 0 | 112.4 | Q241 S242 H243 Q247 A248 I249 P269 I272 V275 | Q241-M245 VanDerWaalsContact O-CB 3.27Å; Q241-M245 WeakPolarHBondContact O-CB 3.36Å; Q241-M245 PolarHBondContact O-N 2.85Å; S242-M245 WeakPolarHBondContact O-CB 3.34Å; S242-M245 PolarHBondContact O-N 3.44Å; S242-M245 VanDerWaalsContact O-N 3.09Å; H243-M245 VanDerWaalsContact C-N 3.26Å; H243-M245 PolarHBondContact O-N 3.26Å; M245-Q247 VanDerWaalsContact C-N 3.31Å; M245-Q247 PolarHBondContact O-N 3.48Å; M245-A248 PolarHBondContact O-N 2.86Å; M245-I249 HydrophobicContact CG-CD1 4.3Å; M245-I249 WeakPolarHBondContact O-CG1 3.35Å; M245-I249 PolarHBondContact O-N 3.22Å; M245-P269 HydrophobicContact CE-CB 3.48Å; M245-P269 VanDerWaalsContact CE-CB 3.48Å; M245-P269 HydrophobicContact CE-CG 3.64Å; M245-P269 WeakPolarHBondContact CE-O 3.37Å; M245-I272 HydrophobicContact CB-CD1 4.37Å; M245-I272 HydrophobicContact CB-CG1 3.74Å; M245-I272 HydrophobicContact CG-CG1 4.01Å; M245-I272 HydrophobicContact SD-CG1 4.04Å; M245-I272 PolarHBondContact SD-N 3.44Å; M245-V275 HydrophobicContact CE-CG2 3.71Å; M245-V275 HydrophobicContact CG-CG2 4.11Å; M245-V275 HydrophobicContact SD-CG2 4.3Å |
| 246 | D | 73 | Confident | 69.4 | Low | 97 Ų | 97 | 80.9 Ų | 80.9 | 52% | 0.519 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -59.5 | -42.6 | 172.1 | -76.4 | -25 | 0 | 0 | 0 | 111 | S242 I249 N250 | S242-D246 PolarHBondContact O-N 3.17Å; D246-I249 PolarHBondContact O-N 2.99Å; D246-N250 WeakPolarHBondContact O-CB 3.5Å; D246-N250 PolarHBondContact O-N 3.11Å; D246-N250 PolarHBondContact O-ND2 3.4Å |
| 247 | Q | 74.4 | Confident | 70.3 | Confident | 92 Ų | 92 | 76.4 Ų | 76.4 | 43% | 0.43 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.2 | -40.8 | 176.8 | -169.2 | 172.4 | 13.7 | 0 | 0 | 111.9 | H243 M244 M245 N251 | H243-Q247 WeakPolarHBondContact O-CB 3.33Å; H243-Q247 PolarHBondContact O-N 2.98Å; M244-Q247 VanDerWaalsContact CE-OE1 3.24Å; M245-Q247 VanDerWaalsContact C-N 3.31Å; M245-Q247 PolarHBondContact O-N 3.48Å; Q247-N251 VanDerWaalsContact O-CB 3.3Å; Q247-N251 WeakPolarHBondContact O-CB 3.39Å; Q247-N251 PolarHBondContact O-N 3.17Å; Q247-N251 PolarHBondContact O-ND2 3.37Å |
| 248 | A | 71.4 | Confident | 70.7 | Confident | 35 Ų | 35 | 76.9 Ų | 76.9 | 29% | 0.289 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.5 | -42.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | M244 M245 A252 | M244-A248 WeakPolarHBondContact O-CB 3.32Å; M244-A248 PolarHBondContact O-N 2.89Å; M245-A248 PolarHBondContact O-N 2.86Å; A248-A252 WeakPolarHBondContact O-CB 3.24Å; A248-A252 PolarHBondContact O-N 2.78Å |
| 249 | I | 73.3 | Confident | 70.8 | Confident | 27 Ų | 27 | 79.4 Ų | 79.4 | 14% | 0.138 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -67 | -47.5 | 178 | -67.4 | 168.4 | 0 | 0 | 0 | 110.8 | M245 D246 N251 A252 I253 P269 V275 | M245-I249 HydrophobicContact CG-CD1 4.3Å; M245-I249 WeakPolarHBondContact O-CG1 3.35Å; M245-I249 PolarHBondContact O-N 3.22Å; D246-I249 PolarHBondContact O-N 2.99Å; I249-N251 PolarHBondContact O-N 3.07Å; I249-A252 PolarHBondContact O-N 3.09Å; I249-I253 HydrophobicContact CG2-CD1 3.77Å; I249-I253 HydrophobicContact CG2-CG1 4.38Å; I249-I253 WeakPolarHBondContact O-CG1 3.39Å; I249-I253 PolarHBondContact O-N 3.44Å; I249-P269 HydrophobicContact CD1-CG 4.45Å; I249-V275 HydrophobicContact CD1-CG1 4.37Å; I249-V275 HydrophobicContact CD1-CG2 4.25Å; I249-V275 HydrophobicContact CG1-CG1 3.83Å |
| 250 | N | 72.9 | Confident | 70.8 | Confident | 95 Ų | 95 | 75.4 Ų | 75.4 | 51% | 0.508 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.9 | -40.2 | 178.7 | -77.9 | -68.9 | 0 | 0 | 0 | 112.5 | D246 I253 T254 | D246-N250 WeakPolarHBondContact O-CB 3.5Å; D246-N250 PolarHBondContact O-N 3.11Å; D246-N250 PolarHBondContact O-ND2 3.4Å; N250-I253 PolarHBondContact O-N 3.38Å; N250-T254 PolarHBondContact O-N 3.03Å; N250-T254 PolarHBondContact O-OG1 3.13Å |
| 251 | N | 74.1 | Confident | 71 | Confident | 81 Ų | 81 | 69.5 Ų | 69.5 | 43% | 0.433 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.5 | -48.3 | 172 | -73.2 | -17.5 | 0 | 0 | 0 | 110.8 | Q247 I249 I253 T254 Y255 | Q247-N251 VanDerWaalsContact O-CB 3.3Å; Q247-N251 WeakPolarHBondContact O-CB 3.39Å; Q247-N251 PolarHBondContact O-N 3.17Å; Q247-N251 PolarHBondContact O-ND2 3.37Å; I249-N251 PolarHBondContact O-N 3.07Å; N251-I253 PolarHBondContact O-N 3.4Å; N251-T254 WeakPolarHBondContact O-CA 3.41Å; N251-T254 WeakPolarHBondContact O-CB 3.45Å; N251-T254 PolarHBondContact O-N 3.44Å; N251-Y255 WeakPolarHBondContact O-CD2 3.11Å; N251-Y255 PolarHBondContact O-N 2.9Å; N251-Y255 VanDerWaalsContact O-N 3.11Å |
| 252 | A | 70.4 | Confident | 71.1 | Confident | 4 Ų | 4 | 69.6 Ų | 69.6 | 3% | 0.033 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64 | -38.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A248 I249 T254 Y255 L256 L261 I279 | A248-A252 WeakPolarHBondContact O-CB 3.24Å; A248-A252 PolarHBondContact O-N 2.78Å; I249-A252 PolarHBondContact O-N 3.09Å; A252-T254 VanDerWaalsContact C-N 3.26Å; A252-T254 PolarHBondContact O-N 3.25Å; A252-Y255 PolarHBondContact O-N 3.4Å; A252-L256 WeakPolarHBondContact O-CB 3.07Å; A252-L256 PolarHBondContact O-N 3.2Å; A252-L261 HydrophobicContact CB-CD1 3.53Å; A252-I279 HydrophobicContact CB-CD1 3.64Å; A252-I279 HydrophobicContact CB-CG1 3.96Å; A252-I279 HydrophobicContact CB-CG2 4.26Å |
| 253 | I | 74.4 | Confident | 70.9 | Confident | 52 Ų | 52 | 70.3 Ų | 70.3 | 27% | 0.267 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.1 | -38.5 | 172 | -69.8 | 167.8 | 0 | 0 | 0 | 110.8 | I249 N250 N251 Y255 G257 A258 L261 | I249-I253 HydrophobicContact CG2-CD1 3.77Å; I249-I253 HydrophobicContact CG2-CG1 4.38Å; I249-I253 WeakPolarHBondContact O-CG1 3.39Å; I249-I253 PolarHBondContact O-N 3.44Å; N250-I253 PolarHBondContact O-N 3.38Å; N251-I253 PolarHBondContact O-N 3.4Å; I253-Y255 VanDerWaalsContact C-N 3.34Å; I253-Y255 PolarHBondContact O-N 3.48Å; I253-G257 WeakPolarHBondContact O-CA 3.49Å; I253-G257 PolarHBondContact O-N 3.09Å; I253-A258 HydrophobicContact CG2-CB 4.25Å; I253-L261 HydrophobicContact CG1-CD1 3.87Å |
| 254 | T | 72.4 | Confident | 70.5 | Confident | 112 Ų | 112 | 65.7 Ų | 65.7 | 69% | 0.687 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -67.4 | -32.4 | 178.3 | -54.6 | 0 | 0 | 0 | 0 | 112.6 | N250 N251 A252 | N250-T254 PolarHBondContact O-N 3.03Å; N250-T254 PolarHBondContact O-OG1 3.13Å; N251-T254 WeakPolarHBondContact O-CA 3.41Å; N251-T254 WeakPolarHBondContact O-CB 3.45Å; N251-T254 PolarHBondContact O-N 3.44Å; A252-T254 VanDerWaalsContact C-N 3.26Å; A252-T254 PolarHBondContact O-N 3.25Å |
| 255 | Y | 66.2 | Low | 70.3 | Confident | 176 Ų | 176 | 67.1 Ų | 67.1 | 69% | 0.69 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -94 | -29.2 | -178.9 | -71 | -66.9 | 0 | 0 | 0 | 115.2 | N251 A252 I253 Y283 | N251-Y255 WeakPolarHBondContact O-CD2 3.11Å; N251-Y255 PolarHBondContact O-N 2.9Å; N251-Y255 VanDerWaalsContact O-N 3.11Å; A252-Y255 PolarHBondContact O-N 3.4Å; I253-Y255 VanDerWaalsContact C-N 3.34Å; I253-Y255 PolarHBondContact O-N 3.48Å; Y255-Y283 WeakPolarHBondContact CB-OH 3.42Å |
| 256 | L | 72.8 | Confident | 69.9 | Low | 26 Ų | 26 | 72.6 Ų | 72.6 | 14% | 0.136 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -111.1 | -14.9 | -175.2 | -64.9 | 170.9 | 0 | 0 | 0 | 113.8 | A252 A260 L261 A282 Y283 V286 | A252-L256 WeakPolarHBondContact O-CB 3.07Å; A252-L256 PolarHBondContact O-N 3.2Å; L256-A260 HydrophobicContact CB-CB 4.01Å; L256-A260 WeakPolarHBondContact O-CB 3.37Å; L256-L261 HydrophobicContact CB-CD1 4.48Å; L256-L261 HydrophobicContact CD1-CD1 4.34Å; L256-L261 HydrophobicContact CD1-CD2 3.91Å; L256-L261 HydrophobicContact CD1-CG 4.29Å; L256-A282 HydrophobicContact CD1-CB 3.87Å; L256-Y283 HydrophobicContact CD1-CD2 3.79Å; L256-Y283 HydrophobicContact CD1-CE2 3.73Å; L256-Y283 HydrophobicContact CD1-CG 4.28Å; L256-Y283 HydrophobicContact CD2-CD1 3.79Å; L256-Y283 HydrophobicContact CD2-CD2 4.3Å; L256-Y283 HydrophobicContact CD2-CE1 3.83Å; L256-Y283 HydrophobicContact CD2-CE2 4.35Å; L256-Y283 HydrophobicContact CD2-CG 4.01Å; L256-Y283 HydrophobicContact CG-CD2 4.39Å; L256-Y283 HydrophobicContact CG-CE1 4.28Å; L256-Y283 HydrophobicContact CG-CE2 4.11Å; L256-V286 HydrophobicContact CD2-CG2 4.13Å |
| 257 | G | 71.3 | Confident | 69.3 | Low | 33 Ų | 33 | 74.9 Ų | 74.9 | 34% | 0.34 | 40% | 0.396 | S | S | . | . | trans | 79.2 | 154 | -167.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I253 E259 A260 | I253-G257 WeakPolarHBondContact O-CA 3.49Å; I253-G257 PolarHBondContact O-N 3.09Å; G257-E259 VanDerWaalsContact C-N 3.32Å; G257-E259 PolarHBondContact O-N 2.89Å; G257-A260 PolarHBondContact O-N 2.89Å | ||
| 258 | A | 68.9 | Low | 68.7 | Low | 43 Ų | 43 | 75.3 Ų | 75.3 | 36% | 0.355 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -63.5 | -35.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113 | I253 A260 L261 H262 M265 | I253-A258 HydrophobicContact CG2-CB 4.25Å; A258-A260 VanDerWaalsContact C-N 3.33Å; A258-A260 PolarHBondContact O-N 2.96Å; A258-L261 CarbonylContact O-C 3.57Å; A258-L261 PolarHBondContact O-N 2.63Å; A258-L261 VanDerWaalsContact O-N 3.09Å; A258-H262 PolarHBondContact O-N 3.17Å; A258-H262 VanDerWaalsContact O-N 3.13Å; A258-M265 HydrophobicContact CB-SD 4.1Å |
| 259 | E | 67.6 | Low | 68.4 | Low | 184 Ų | 184 | 75.2 Ų | 75.2 | 86% | 0.86 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -60.9 | -39.2 | -179.2 | -61.2 | -175.6 | 165.7 | 0 | 0 | 112.7 | G257 L261 H262 | G257-E259 VanDerWaalsContact C-N 3.32Å; G257-E259 PolarHBondContact O-N 2.89Å; E259-L261 PolarHBondContact O-N 3.34Å; E259-H262 WeakPolarHBondContact O-CB 3.2Å; E259-H262 PolarHBondContact O-N 3.34Å |
| 260 | A | 68.3 | Low | 67.9 | Low | 38 Ų | 38 | 78 Ų | 78 | 31% | 0.314 | 43% | 0.433 | S | S | . | . | G | 310 helix | trans | -68.9 | -16.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L256 G257 A258 | L256-A260 HydrophobicContact CB-CB 4.01Å; L256-A260 WeakPolarHBondContact O-CB 3.37Å; G257-A260 PolarHBondContact O-N 2.89Å; A258-A260 VanDerWaalsContact C-N 3.33Å; A258-A260 PolarHBondContact O-N 2.96Å |
| 261 | L | 68.5 | Low | 67.8 | Low | 1 Ų | 1 | 75.7 Ų | 75.7 | 1% | 0.005 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -116.6 | 11.4 | -177.6 | -61.4 | 175.7 | 0 | 0 | 0 | 112.9 | A252 I253 L256 A258 E259 P263 L264 M265 I279 A282 | A252-L261 HydrophobicContact CB-CD1 3.53Å; I253-L261 HydrophobicContact CG1-CD1 3.87Å; L256-L261 HydrophobicContact CB-CD1 4.48Å; L256-L261 HydrophobicContact CD1-CD1 4.34Å; L256-L261 HydrophobicContact CD1-CD2 3.91Å; L256-L261 HydrophobicContact CD1-CG 4.29Å; A258-L261 CarbonylContact O-C 3.57Å; A258-L261 PolarHBondContact O-N 2.63Å; A258-L261 VanDerWaalsContact O-N 3.09Å; E259-L261 PolarHBondContact O-N 3.34Å; L261-P263 VanDerWaalsContact C-N 3.27Å; L261-P263 WeakPolarHBondContact O-CD 3.49Å; L261-P263 VanDerWaalsContact O-N 3.08Å; L261-L264 HydrophobicContact CB-CD1 4.44Å; L261-L264 HydrophobicContact CD2-CD1 4.14Å; L261-L264 WeakPolarHBondContact O-CB 3.35Å; L261-L264 PolarHBondContact O-N 2.94Å; L261-M265 PolarHBondContact O-N 3.36Å; L261-I279 HydrophobicContact CD2-CG1 4.18Å; L261-A282 HydrophobicContact CD2-CB 3.87Å |
| 262 | H | 69.1 | Low | 67.6 | Low | 96 Ų | 96 | 75 Ų | 75 | 44% | 0.444 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -46.8 | -35.9 | 178.5 | -171.9 | -106.6 | 0 | 0 | 0 | 115.2 | A258 E259 L264 M265 Q266 | A258-H262 PolarHBondContact O-N 3.17Å; A258-H262 VanDerWaalsContact O-N 3.13Å; E259-H262 WeakPolarHBondContact O-CB 3.2Å; E259-H262 PolarHBondContact O-N 3.34Å; H262-L264 VanDerWaalsContact C-N 3.3Å; H262-L264 PolarHBondContact O-N 2.86Å; H262-M265 WeakPolarHBondContact O-CB 3.33Å; H262-M265 PolarHBondContact O-N 3.42Å; H262-Q266 VanDerWaalsContact CE1-CD 3.5Å; H262-Q266 PolarHBondContact CE1-NE2 2.86Å; H262-Q266 PolarHBondContact O-N 3.48Å; H262-Q266 VanDerWaalsContact O-N 3.09Å |
| 263 | P | 66.1 | Low | 67.6 | Low | 68 Ų | 68 | 78.5 Ų | 78.5 | 44% | 0.442 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -59.3 | -34.3 | 173.8 | -25.7 | 36.3 | 0 | 0 | 0 | 114.6 | L261 M265 Q266 H267 V278 | L261-P263 VanDerWaalsContact C-N 3.27Å; L261-P263 WeakPolarHBondContact O-CD 3.49Å; L261-P263 VanDerWaalsContact O-N 3.08Å; P263-M265 VanDerWaalsContact C-N 3.3Å; P263-Q266 PolarHBondContact O-N 2.96Å; P263-H267 PolarHBondContact O-N 3.05Å; P263-H267 VanDerWaalsContact O-N 3.11Å; P263-V278 HydrophobicContact CB-CG1 4.4Å |
| 264 | L | 63.9 | Low | 67.3 | Low | 17 Ų | 17 | 80.5 Ų | 80.5 | 9% | 0.089 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -76.2 | -19.2 | 175.5 | -62.2 | 169.7 | 0 | 0 | 0 | 112.5 | L261 H262 P269 V275 V278 I279 | L261-L264 HydrophobicContact CB-CD1 4.44Å; L261-L264 HydrophobicContact CD2-CD1 4.14Å; L261-L264 WeakPolarHBondContact O-CB 3.35Å; L261-L264 PolarHBondContact O-N 2.94Å; H262-L264 VanDerWaalsContact C-N 3.3Å; H262-L264 PolarHBondContact O-N 2.86Å; L264-P269 HydrophobicContact CD2-CG 4.03Å; L264-V275 HydrophobicContact CD1-CG1 3.96Å; L264-V275 HydrophobicContact CD2-CB 4.49Å; L264-V275 HydrophobicContact CD2-CG1 4.28Å; L264-V275 HydrophobicContact CD2-CG2 4.38Å; L264-V278 HydrophobicContact CD1-CB 4.27Å; L264-V278 HydrophobicContact CD1-CG1 4.12Å; L264-V278 HydrophobicContact CD2-CB 3.95Å; L264-V278 HydrophobicContact CD2-CG1 4.12Å; L264-V278 HydrophobicContact CD2-CG2 4.09Å; L264-V278 HydrophobicContact CG-CB 4.14Å; L264-V278 HydrophobicContact CG-CG1 3.82Å; L264-I279 HydrophobicContact CD1-CG1 4.1Å |
| 265 | M | 63.8 | Low | 67.2 | Low | 119 Ų | 119 | 75.3 Ų | 75.3 | 59% | 0.586 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -84.3 | -23.5 | 174 | -58 | -179 | 68.9 | 0 | 0 | 112.2 | A258 L261 H262 P263 | A258-M265 HydrophobicContact CB-SD 4.1Å; L261-M265 PolarHBondContact O-N 3.36Å; H262-M265 WeakPolarHBondContact O-CB 3.33Å; H262-M265 PolarHBondContact O-N 3.42Å; P263-M265 VanDerWaalsContact C-N 3.3Å |
| 266 | Q | 64.8 | Low | 67.5 | Low | 129 Ų | 129 | 69.1 Ų | 69.1 | 60% | 0.603 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -87.5 | -35.1 | 176.3 | -68.8 | -170.2 | -39.5 | 0 | 0 | 112.9 | H262 P263 | H262-Q266 VanDerWaalsContact CE1-CD 3.5Å; H262-Q266 PolarHBondContact CE1-NE2 2.86Å; H262-Q266 PolarHBondContact O-N 3.48Å; H262-Q266 VanDerWaalsContact O-N 3.09Å; P263-Q266 PolarHBondContact O-N 2.96Å |
| 267 | H | 60.6 | Low | 67.5 | Low | 144 Ų | 144 | 71.6 Ų | 71.6 | 67% | 0.667 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -114.9 | 104.6 | 174.2 | -65.8 | -73.2 | 0 | 0 | 0 | 109.4 | P263 P269 | P263-H267 PolarHBondContact O-N 3.05Å; P263-H267 VanDerWaalsContact O-N 3.11Å; H267-P269 WeakPolarHBondContact O-CD 3.41Å |
| 268 | A | 61.4 | Low | 67.6 | Low | 101 Ų | 101 | 72.2 Ų | 72.2 | 84% | 0.835 | 42% | 0.424 | S | S | * | . | trans | -56.9 | 109.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 269 | P | 65.2 | Low | 67.9 | Low | 34 Ų | 34 | 71.4 Ų | 71.4 | 22% | 0.221 | 41% | 0.414 | C | S | . | . | trans | -76.9 | 158.2 | -177.6 | 12 | 2.4 | 0 | 0 | 0 | 109.5 | M245 I249 L264 H267 E274 V275 | M245-P269 HydrophobicContact CE-CB 3.48Å; M245-P269 VanDerWaalsContact CE-CB 3.48Å; M245-P269 HydrophobicContact CE-CG 3.64Å; M245-P269 WeakPolarHBondContact CE-O 3.37Å; I249-P269 HydrophobicContact CD1-CG 4.45Å; L264-P269 HydrophobicContact CD2-CG 4.03Å; H267-P269 WeakPolarHBondContact O-CD 3.41Å; P269-E274 HydrophobicContact CB-CB 4.12Å; P269-V275 HydrophobicContact CB-CG2 3.82Å; P269-V275 HydrophobicContact CG-CG2 3.58Å | ||
| 270 | S | 63.7 | Low | 68.2 | Low | 84 Ų | 84 | 66.1 Ų | 66.1 | 59% | 0.587 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -99.8 | -25.7 | -179.5 | 70.2 | 0 | 0 | 0 | 0 | 113.3 | E274 | S270-E274 WeakPolarHBondContact CA-OE2 3.26Å; S270-E274 WeakPolarHBondContact CB-OE2 3.5Å; S270-E274 PolarHBondContact N-OE2 2.72Å; S270-E274 PolarHBondContact OG-OE1 2.86Å; S270-E274 PolarHBondContact OG-OE2 3.24Å |
| 271 | T | 70.8 | Confident | 68.6 | Low | 47 Ų | 47 | 66.9 Ų | 66.9 | 29% | 0.288 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -140.5 | 155 | -178.9 | 66.1 | 0 | 0 | 0 | 0 | 113.2 | A273 E274 | T271-A273 PolarHBondContact O-N 2.93Å; T271-A273 VanDerWaalsContact O-N 3.16Å; T271-E274 PolarHBondContact N-OE2 3.36Å; T271-E274 WeakPolarHBondContact O-CB 3.47Å; T271-E274 PolarHBondContact O-N 2.49Å; T271-E274 PolarHBondContact OG1-OE2 3.48Å |
| 272 | I | 69.3 | Low | 68.7 | Low | 67 Ų | 67 | 67.1 Ų | 67.1 | 34% | 0.344 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -58.5 | -29.3 | 176.5 | -62.1 | 172.1 | 0 | 0 | 0 | 111.4 | Q241 M244 M245 E274 V275 A276 | Q241-I272 HydrophobicContact CG-CD1 4.27Å; M244-I272 HydrophobicContact CB-CD1 3.96Å; M245-I272 HydrophobicContact CB-CD1 4.37Å; M245-I272 HydrophobicContact CB-CG1 3.74Å; M245-I272 HydrophobicContact CG-CG1 4.01Å; M245-I272 HydrophobicContact SD-CG1 4.04Å; M245-I272 PolarHBondContact SD-N 3.44Å; I272-E274 VanDerWaalsContact C-N 3.27Å; I272-E274 PolarHBondContact O-N 2.81Å; I272-V275 PolarHBondContact O-N 3.02Å; I272-V275 VanDerWaalsContact O-N 3.14Å; I272-A276 PolarHBondContact O-N 3.22Å |
| 273 | A | 70.1 | Confident | 68.8 | Low | 78 Ų | 78 | 66.5 Ų | 66.5 | 65% | 0.645 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -64.2 | -26.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | T271 P277 | T271-A273 PolarHBondContact O-N 2.93Å; T271-A273 VanDerWaalsContact O-N 3.16Å; A273-P277 WeakPolarHBondContact O-CD 3.17Å |
| 274 | E | 68.5 | Low | 68.9 | Low | 93 Ų | 93 | 66.2 Ų | 66.2 | 44% | 0.435 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -80.6 | -29.1 | 174.3 | -64.1 | 168.5 | 134.1 | 0 | 0 | 111.5 | P269 S270 T271 I272 | P269-E274 HydrophobicContact CB-CB 4.12Å; S270-E274 WeakPolarHBondContact CA-OE2 3.26Å; S270-E274 WeakPolarHBondContact CB-OE2 3.5Å; S270-E274 PolarHBondContact N-OE2 2.72Å; S270-E274 PolarHBondContact OG-OE1 2.86Å; S270-E274 PolarHBondContact OG-OE2 3.24Å; T271-E274 PolarHBondContact N-OE2 3.36Å; T271-E274 WeakPolarHBondContact O-CB 3.47Å; T271-E274 PolarHBondContact O-N 2.49Å; T271-E274 PolarHBondContact OG1-OE2 3.48Å; I272-E274 VanDerWaalsContact C-N 3.27Å; I272-E274 PolarHBondContact O-N 2.81Å |
| 275 | V | 70.8 | Confident | 68.9 | Low | 3 Ų | 3 | 71.2 Ų | 71.2 | 2% | 0.018 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -80.1 | -46.3 | -177.6 | -175.3 | 0 | 0 | 0 | 0 | 112.2 | M245 I249 L264 P269 I272 V278 I279 | M245-V275 HydrophobicContact CE-CG2 3.71Å; M245-V275 HydrophobicContact CG-CG2 4.11Å; M245-V275 HydrophobicContact SD-CG2 4.3Å; I249-V275 HydrophobicContact CD1-CG1 4.37Å; I249-V275 HydrophobicContact CD1-CG2 4.25Å; I249-V275 HydrophobicContact CG1-CG1 3.83Å; L264-V275 HydrophobicContact CD1-CG1 3.96Å; L264-V275 HydrophobicContact CD2-CB 4.49Å; L264-V275 HydrophobicContact CD2-CG1 4.28Å; L264-V275 HydrophobicContact CD2-CG2 4.38Å; P269-V275 HydrophobicContact CB-CG2 3.82Å; P269-V275 HydrophobicContact CG-CG2 3.58Å; I272-V275 PolarHBondContact O-N 3.02Å; I272-V275 VanDerWaalsContact O-N 3.14Å; V275-V278 PolarHBondContact O-N 3.24Å; V275-I279 HydrophobicContact CG1-CD1 3.49Å; V275-I279 VanDerWaalsContact CG1-CD1 3.49Å; V275-I279 HydrophobicContact CG1-CG1 3.97Å; V275-I279 PolarHBondContact O-N 3.3Å |
| 276 | A | 71.8 | Confident | 68.8 | Low | 47 Ų | 47 | 69.4 Ų | 69.4 | 39% | 0.388 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -51 | -45.5 | -176 | 0 | 0 | 0 | 0 | 0 | 115.1 | I272 S280 | I272-A276 PolarHBondContact O-N 3.22Å; A276-S280 VanDerWaalsContact O-CB 3.31Å; A276-S280 WeakPolarHBondContact O-CB 3.2Å; A276-S280 PolarHBondContact O-N 3.25Å; A276-S280 PolarHBondContact O-OG 3.1Å |
| 277 | P | 73.8 | Confident | 68.4 | Low | 78 Ų | 78 | 71.1 Ų | 71.1 | 51% | 0.506 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -69.7 | -30.9 | 178.1 | 27.1 | -35.4 | 0 | 0 | 0 | 112.9 | A273 S281 | A273-P277 WeakPolarHBondContact O-CD 3.17Å; P277-S281 VanDerWaalsContact O-CB 3.27Å; P277-S281 WeakPolarHBondContact O-CB 3.19Å; P277-S281 PolarHBondContact O-N 3.27Å |
| 278 | V | 73.6 | Confident | 67.9 | Low | 46 Ų | 46 | 69.6 Ų | 69.6 | 28% | 0.279 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -72.7 | -45.3 | 178.9 | -174.9 | 0 | 0 | 0 | 0 | 110.8 | P263 L264 V275 S280 S281 A282 | P263-V278 HydrophobicContact CB-CG1 4.4Å; L264-V278 HydrophobicContact CD1-CB 4.27Å; L264-V278 HydrophobicContact CD1-CG1 4.12Å; L264-V278 HydrophobicContact CD2-CB 3.95Å; L264-V278 HydrophobicContact CD2-CG1 4.12Å; L264-V278 HydrophobicContact CD2-CG2 4.09Å; L264-V278 HydrophobicContact CG-CB 4.14Å; L264-V278 HydrophobicContact CG-CG1 3.82Å; V275-V278 PolarHBondContact O-N 3.24Å; V278-S280 VanDerWaalsContact C-N 3.33Å; V278-S280 PolarHBondContact O-N 3.47Å; V278-S281 PolarHBondContact O-N 3.06Å; V278-A282 PolarHBondContact O-N 3.11Å |
| 279 | I | 74.9 | Confident | 67.1 | Low | 25 Ų | 25 | 69.5 Ų | 69.5 | 13% | 0.128 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -57.9 | -47.1 | 171.9 | -69.3 | 176.7 | 0 | 0 | 0 | 110.1 | A252 L261 L264 V275 S281 A282 Y283 | A252-I279 HydrophobicContact CB-CD1 3.64Å; A252-I279 HydrophobicContact CB-CG1 3.96Å; A252-I279 HydrophobicContact CB-CG2 4.26Å; L261-I279 HydrophobicContact CD2-CG1 4.18Å; L264-I279 HydrophobicContact CD1-CG1 4.1Å; V275-I279 HydrophobicContact CG1-CD1 3.49Å; V275-I279 VanDerWaalsContact CG1-CD1 3.49Å; V275-I279 HydrophobicContact CG1-CG1 3.97Å; V275-I279 PolarHBondContact O-N 3.3Å; I279-S281 VanDerWaalsContact C-N 3.33Å; I279-S281 PolarHBondContact O-N 3Å; I279-A282 PolarHBondContact O-N 2.94Å; I279-Y283 HydrophobicContact CG2-CD2 3.67Å; I279-Y283 HydrophobicContact CG2-CE2 3.65Å; I279-Y283 WeakPolarHBondContact O-CD2 3.39Å; I279-Y283 PolarHBondContact O-N 3.48Å |
| 280 | S | 74.1 | Confident | 66.2 | Low | 74 Ų | 74 | 75.7 Ų | 75.7 | 52% | 0.517 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.8 | -39.6 | -179.7 | -57.1 | 0 | 0 | 0 | 0 | 112.2 | A276 V278 S284 | A276-S280 VanDerWaalsContact O-CB 3.31Å; A276-S280 WeakPolarHBondContact O-CB 3.2Å; A276-S280 PolarHBondContact O-N 3.25Å; A276-S280 PolarHBondContact O-OG 3.1Å; V278-S280 VanDerWaalsContact C-N 3.33Å; V278-S280 PolarHBondContact O-N 3.47Å; S280-S284 PolarHBondContact O-N 3.07Å |
| 281 | S | 75.3 | Confident | 65.2 | Low | 53 Ų | 53 | 81.2 Ų | 81.2 | 37% | 0.371 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.6 | -46.9 | 173.6 | -176.7 | 0 | 0 | 0 | 0 | 111.4 | P277 V278 I279 Y283 S284 Q285 | P277-S281 VanDerWaalsContact O-CB 3.27Å; P277-S281 WeakPolarHBondContact O-CB 3.19Å; P277-S281 PolarHBondContact O-N 3.27Å; V278-S281 PolarHBondContact O-N 3.06Å; I279-S281 VanDerWaalsContact C-N 3.33Å; I279-S281 PolarHBondContact O-N 3Å; S281-Y283 PolarHBondContact O-N 3.07Å; S281-S284 PolarHBondContact O-N 2.78Å; S281-S284 VanDerWaalsContact O-N 3.11Å; S281-S284 PolarHBondContact O-OG 3.19Å; S281-Q285 WeakPolarHBondContact O-CG 3.4Å; S281-Q285 PolarHBondContact O-N 3.4Å; S281-Q285 PolarHBondContact O-NE2 2.92Å; S281-Q285 PolarHBondContact OG-NE2 3.29Å |
| 282 | A | 72.2 | Confident | 63.7 | Low | 6 Ų | 6 | 85.7 Ų | 85.7 | 5% | 0.05 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -60.3 | -46.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L256 L261 V278 I279 S284 Q285 V286 | L256-A282 HydrophobicContact CD1-CB 3.87Å; L261-A282 HydrophobicContact CD2-CB 3.87Å; V278-A282 PolarHBondContact O-N 3.11Å; I279-A282 PolarHBondContact O-N 2.94Å; A282-S284 VanDerWaalsContact C-N 3.33Å; A282-S284 PolarHBondContact O-N 2.82Å; A282-Q285 PolarHBondContact O-N 3.23Å; A282-V286 WeakPolarHBondContact O-CG2 3.4Å; A282-V286 PolarHBondContact O-N 3.36Å; A282-V286 VanDerWaalsContact O-N 3.08Å |
| 283 | Y | 69.6 | Low | 61.9 | Low | 84 Ų | 84 | 91.1 Ų | 91.1 | 33% | 0.329 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -55.7 | -45 | 171 | -88.4 | -74.7 | 0 | 0 | 0 | 112 | Y255 L256 I279 S281 Q285 V286 Y287 | Y255-Y283 WeakPolarHBondContact CB-OH 3.42Å; L256-Y283 HydrophobicContact CD1-CD2 3.79Å; L256-Y283 HydrophobicContact CD1-CE2 3.73Å; L256-Y283 HydrophobicContact CD1-CG 4.28Å; L256-Y283 HydrophobicContact CD2-CD1 3.79Å; L256-Y283 HydrophobicContact CD2-CD2 4.3Å; L256-Y283 HydrophobicContact CD2-CE1 3.83Å; L256-Y283 HydrophobicContact CD2-CE2 4.35Å; L256-Y283 HydrophobicContact CD2-CG 4.01Å; L256-Y283 HydrophobicContact CG-CD2 4.39Å; L256-Y283 HydrophobicContact CG-CE1 4.28Å; L256-Y283 HydrophobicContact CG-CE2 4.11Å; I279-Y283 HydrophobicContact CG2-CD2 3.67Å; I279-Y283 HydrophobicContact CG2-CE2 3.65Å; I279-Y283 WeakPolarHBondContact O-CD2 3.39Å; I279-Y283 PolarHBondContact O-N 3.48Å; S281-Y283 PolarHBondContact O-N 3.07Å; Y283-Q285 VanDerWaalsContact C-N 3.3Å; Y283-Q285 PolarHBondContact O-N 2.92Å; Y283-V286 PolarHBondContact O-N 2.82Å; Y283-Y287 HydrophobicContact CD1-CD2 4.07Å; Y283-Y287 HydrophobicContact CD1-CE2 4.03Å; Y283-Y287 HydrophobicContact CE1-CE2 4.41Å; Y283-Y287 WeakPolarHBondContact O-CB 3.36Å; Y283-Y287 WeakPolarHBondContact O-CD2 3.47Å; Y283-Y287 PolarHBondContact O-N 3.46Å |
| 284 | S | 68.2 | Low | 60.2 | Low | 62 Ų | 62 | 97.8 Ų | 97.8 | 43% | 0.434 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.4 | -31.9 | 179.9 | 78 | 0 | 0 | 0 | 0 | 113.8 | S280 S281 A282 H288 | S280-S284 PolarHBondContact O-N 3.07Å; S281-S284 PolarHBondContact O-N 2.78Å; S281-S284 VanDerWaalsContact O-N 3.11Å; S281-S284 PolarHBondContact O-OG 3.19Å; A282-S284 VanDerWaalsContact C-N 3.33Å; A282-S284 PolarHBondContact O-N 2.82Å; S284-H288 PolarHBondContact O-CD2 2.82Å; S284-H288 PolarHBondContact O-N 2.85Å |
| 285 | Q | 64.3 | Low | 58.4 | Low | 121 Ų | 121 | 99.6 Ų | 99.6 | 57% | 0.565 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -74.7 | -36.1 | 177.7 | -69.8 | 173.3 | 59.7 | 0 | 0 | 112.4 | S281 A282 Y283 | S281-Q285 WeakPolarHBondContact O-CG 3.4Å; S281-Q285 PolarHBondContact O-N 3.4Å; S281-Q285 PolarHBondContact O-NE2 2.92Å; S281-Q285 PolarHBondContact OG-NE2 3.29Å; A282-Q285 PolarHBondContact O-N 3.23Å; Y283-Q285 VanDerWaalsContact C-N 3.3Å; Y283-Q285 PolarHBondContact O-N 2.92Å |
| 286 | V | 62.2 | Low | 56.4 | Low | 82 Ų | 82 | 107.4 Ų | 107.4 | 50% | 0.497 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -71.3 | -41.4 | 172.8 | 176.2 | 0 | 0 | 0 | 0 | 111.4 | L256 A282 Y283 | L256-V286 HydrophobicContact CD2-CG2 4.13Å; A282-V286 WeakPolarHBondContact O-CG2 3.4Å; A282-V286 PolarHBondContact O-N 3.36Å; A282-V286 VanDerWaalsContact O-N 3.08Å; Y283-V286 PolarHBondContact O-N 2.82Å |
| 287 | Y | 55.5 | Low | 54.4 | Low | 165 Ų | 165 | 109.9 Ų | 109.9 | 65% | 0.647 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -105.1 | 35.3 | -172.4 | -69.3 | -83.3 | 0 | 0 | 0 | 114.6 | Y283 P289 | Y283-Y287 HydrophobicContact CD1-CD2 4.07Å; Y283-Y287 HydrophobicContact CD1-CE2 4.03Å; Y283-Y287 HydrophobicContact CE1-CE2 4.41Å; Y283-Y287 WeakPolarHBondContact O-CB 3.36Å; Y283-Y287 WeakPolarHBondContact O-CD2 3.47Å; Y283-Y287 PolarHBondContact O-N 3.46Å; Y287-P289 WeakPolarHBondContact O-CD 3.29Å |
| 288 | H | 50.4 | Low | 52.5 | Low | 112 Ų | 112 | 115.6 Ų | 115.6 | 52% | 0.519 | 58% | 0.579 | S | S | . | * | trans | -62.2 | 122 | 173.7 | -113.3 | -62.4 | 0 | 0 | 0 | 111 | S284 N290 R291 | S284-H288 PolarHBondContact O-CD2 2.82Å; S284-H288 PolarHBondContact O-N 2.85Å; H288-N290 PolarHBondContact O-N 3.25Å; H288-R291 HydrophobicContact CB-CB 4.3Å; H288-R291 PolarHBondContact O-N 3.45Å | ||
| 289 | P | 45.4 | Very low | 50.4 | Low | 99 Ų | 99 | 120.5 Ų | 120.5 | 64% | 0.643 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -14.5 | -167.9 | 23.5 | -34.7 | 0 | 0 | 0 | 115.2 | Y287 | Y287-P289 WeakPolarHBondContact O-CD 3.29Š|
| 290 | N | 45.3 | Very low | 48.6 | Very low | 164 Ų | 164 | 126 Ų | 126 | 88% | 0.877 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | 5.1 | 176.7 | -68.9 | -16 | 0 | 0 | 0 | 113.6 | H288 | H288-N290 PolarHBondContact O-N 3.25Š|
| 291 | R | 43 | Very low | 46.5 | Very low | 199 Ų | 199 | 127.9 Ų | 127.9 | 75% | 0.751 | 65% | 0.646 | S | S | * | * | trans | -106.4 | 24.2 | -176.7 | -144.6 | -176.1 | -167.9 | -163.8 | 2.7 | 114.3 | H288 E293 | H288-R291 HydrophobicContact CB-CB 4.3Å; H288-R291 PolarHBondContact O-N 3.45Å; R291-E293 PolarHBondContact O-N 3.2Å | ||
| 292 | I | 38.6 | Very low | 44.3 | Very low | 141 Ų | 141 | 133 Ų | 133 | 72% | 0.723 | 67% | 0.67 | S | S | * | * | trans | -78.1 | 65.8 | 175.4 | -46.1 | 179.1 | 0 | 0 | 0 | 110.3 | ||||
| 293 | E | 32.8 | Very low | 42.3 | Very low | 181 Ų | 181 | 138.7 Ų | 138.7 | 85% | 0.846 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 127.5 | 152.6 | -69.5 | -162.7 | 135.9 | 0 | 0 | 107.7 | R291 P295 | R291-E293 PolarHBondContact O-N 3.2Å; E293-P295 WeakPolarHBondContact O-CD 3.42Å |
| 294 | R | 34.1 | Very low | 40.5 | Very low | 218 Ų | 218 | 142.8 Ų | 142.8 | 82% | 0.823 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -74 | 128 | -176.1 | -65.4 | 174.6 | 177.8 | 169.6 | -3.1 | 109.3 | I296 | R294-I296 PolarHBondContact O-N 3.32Å; R294-I296 VanDerWaalsContact O-N 3.11Å |
| 295 | P | 29.5 | Very low | 38.8 | Very low | 132 Ų | 132 | 146.2 Ų | 146.2 | 86% | 0.857 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 117.2 | 167.1 | -21.7 | 33.3 | 0 | 0 | 0 | 109.3 | E293 S297 | E293-P295 WeakPolarHBondContact O-CD 3.42Å; P295-S297 PolarHBondContact O-N 3.35Å |
| 296 | I | 30.2 | Very low | 37.3 | Very low | 167 Ų | 167 | 146.6 Ų | 146.6 | 86% | 0.856 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 120.8 | 170.8 | -63.1 | 177.7 | 0 | 0 | 0 | 106.9 | R294 | R294-I296 PolarHBondContact O-N 3.32Å; R294-I296 VanDerWaalsContact O-N 3.11Å |
| 297 | S | 29.2 | Very low | 35.7 | Very low | 99 Ų | 99 | 148.9 Ų | 148.9 | 69% | 0.692 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 130.4 | 177.2 | 49.5 | 0 | 0 | 0 | 0 | 111.3 | P295 | P295-S297 PolarHBondContact O-N 3.35Š|
| 298 | R | 34.1 | Very low | 34.6 | Very low | 198 Ų | 198 | 148.8 Ų | 148.8 | 75% | 0.747 | 76% | 0.763 | S | S | * | * | 171.4 | 143.6 | 104.2 | -90.4 | -179.2 | 99 | 106.9 | 3.6 | 113 | |||||
| 299 | E | 30.7 | Very low | 33.7 | Very low | 149 Ų | 149 | 150.8 Ų | 150.8 | 70% | 0.696 | 78% | 0.777 | S | S | * | * | trans | 73.7 | 164.3 | 141 | -74.1 | 163.1 | 174.4 | 0 | 0 | 121.2 | ||||
| 300 | T | 35.8 | Very low | 32.9 | Very low | 140 Ų | 140 | 149.4 Ų | 149.4 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | trans | -117.9 | 145 | -155.5 | 49.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 301 | S | 30.5 | Very low | 33 | Very low | 113 Ų | 113 | 147.3 Ų | 147.3 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | -154.1 | 124.9 | 157.1 | 58.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 302 | D | 28.7 | Very low | 32.3 | Very low | 162 Ų | 162 | 145.4 Ų | 145.4 | 87% | 0.866 | 78% | 0.78 | S | S | * | * | trans | -64 | 136.9 | 167.2 | -65.9 | -74.9 | 0 | 0 | 0 | 111.4 | ||||
| 303 | S | 30.2 | Very low | 31.7 | Very low | 125 Ų | 125 | 143.3 Ų | 143.3 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | -173.4 | 161.5 | 129.4 | 24 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 304 | H | 32.6 | Very low | 31.5 | Very low | 169 Ų | 169 | 142.6 Ų | 142.6 | 78% | 0.782 | 78% | 0.778 | S | S | * | * | trans | -102.1 | -175.9 | -165.5 | -156.5 | -101.8 | 0 | 0 | 0 | 112.6 | ||||
| 305 | E | 32.9 | Very low | 31.3 | Very low | 134 Ų | 134 | 140 Ų | 140 | 63% | 0.626 | 78% | 0.779 | S | S | * | * | trans | 86.3 | 102.6 | 168 | -54.7 | -65.9 | 105.3 | 0 | 0 | 119.4 | ||||
| 306 | N | 31 | Very low | 31.1 | Very low | 129 Ų | 129 | 144.5 Ų | 144.5 | 69% | 0.69 | 78% | 0.779 | S | S | * | * | trans | 74.3 | 92.4 | 130.3 | -52.6 | -30.6 | 0 | 0 | 0 | 122.5 | ||||
| 307 | N | 30.3 | Very low | 31.3 | Very low | 131 Ų | 131 | 141.9 Ų | 141.9 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | 46.8 | 115.7 | 107.9 | -170.7 | 15.5 | 0 | 0 | 0 | 120.4 | |||||
| 308 | M | 31.9 | Very low | 31.1 | Very low | 163 Ų | 163 | 146.2 Ų | 146.2 | 80% | 0.803 | 78% | 0.779 | S | S | * | * | -169.8 | 156.6 | 128.7 | -103.3 | -65.3 | 150.5 | 0 | 0 | 112.7 | |||||
| 309 | D | 31.5 | Very low | 30.7 | Very low | 153 Ų | 153 | 142 Ų | 142 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -74.1 | 156.5 | -175.4 | -62.4 | -89.7 | 0 | 0 | 0 | 116 | ||||
| 310 | G | 27.7 | Very low | 30.5 | Very low | 71 Ų | 71 | 146.6 Ų | 146.6 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | trans | 136.1 | 127.8 | 152.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 311 | P | 48.2 | Very low | 30.8 | Very low | 119 Ų | 119 | 145.1 Ų | 145.1 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | -90.7 | 156.8 | 172.6 | 36.1 | -34 | 0 | 0 | 0 | 112.7 | ||||
| 312 | I | 28.3 | Very low | 30.6 | Very low | 160 Ų | 160 | 148.3 Ų | 148.3 | 82% | 0.821 | 79% | 0.786 | S | S | * | * | trans | 169.8 | 134.4 | 130.4 | -88.2 | 157 | 0 | 0 | 0 | 113.2 | ||||
| 313 | S | 26.7 | Very low | 30.4 | Very low | 96 Ų | 96 | 148.2 Ų | 148.2 | 67% | 0.671 | 78% | 0.781 | S | S | * | * | trans | 5.7 | 134.3 | 153.4 | -52.9 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 314 | L | 27.8 | Very low | 30.2 | Very low | 166 Ų | 166 | 152.5 Ų | 152.5 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | trans | 83.2 | 161.6 | 135.4 | -70.3 | 165.5 | 0 | 0 | 0 | 121.9 | ||||
| 315 | I | 28.9 | Very low | 29.9 | Very low | 163 Ų | 163 | 152.2 Ų | 152.2 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | trans | 93.1 | 131.8 | 166.8 | -52.4 | 179.7 | 0 | 0 | 0 | 117.2 | ||||
| 316 | R | 26.1 | Very low | 29.5 | Very low | 228 Ų | 228 | 149.4 Ų | 149.4 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | trans | -128.4 | 131.5 | 178 | 161.3 | -176.9 | -177 | 113 | -0.5 | 108 | ||||
| 317 | P | 35.1 | Very low | 29.4 | Very low | 112 Ų | 112 | 148.7 Ų | 148.7 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | -148.9 | 167.9 | 120.9 | 35.2 | -16.8 | 0 | 0 | 0 | 117.6 | |||||
| 318 | K | 24.7 | Very low | 29.9 | Very low | 190 Ų | 190 | 148.6 Ų | 148.6 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | trans | -25.3 | 158.3 | 160.8 | -46.8 | 164.4 | 179.5 | 172.1 | 0 | 115.2 | ||||
| 319 | S | 25.2 | Very low | 29.7 | Very low | 108 Ų | 108 | 146.4 Ų | 146.4 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | cis | -175.5 | 138.4 | 43.4 | 57.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 320 | R | 26.7 | Very low | 29.6 | Very low | 246 Ų | 246 | 147.1 Ų | 147.1 | 93% | 0.928 | 79% | 0.792 | S | S | * | * | trans | 61.6 | 174.1 | 134.6 | -104.8 | -159.9 | 165.9 | -178.7 | -3.8 | 120 | ||||
| 321 | P | 41.3 | Very low | 29.6 | Very low | 110 Ų | 110 | 149.1 Ų | 149.1 | 71% | 0.714 | 80% | 0.795 | S | S | * | * | -135.3 | 171.2 | -129.5 | 44.2 | -25.2 | 0 | 0 | 0 | 118 | |||||
| 322 | Q | 27.5 | Very low | 28.6 | Very low | 179 Ų | 179 | 149.6 Ų | 149.6 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | trans | -157.8 | 127.3 | 155.3 | -132.5 | 157.5 | -3.6 | 0 | 0 | 106.9 | ||||
| 323 | E | 24 | Very low | 28.8 | Very low | 161 Ų | 161 | 150.3 Ų | 150.3 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | cis | 90.3 | 133.2 | 45.2 | -147.9 | -171.3 | -107.9 | 0 | 0 | 113.3 | ||||
| 324 | R | 26.6 | Very low | 28.8 | Very low | 214 Ų | 214 | 153.2 Ų | 153.2 | 81% | 0.808 | 81% | 0.813 | S | S | * | * | trans | 75.6 | 152.6 | 177.2 | -57 | -164 | 170.7 | -157.5 | -6.7 | 118.3 | ||||
| 325 | E | 25.3 | Very low | 29.1 | Very low | 164 Ų | 164 | 150 Ų | 150 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | cis | -161 | 171.6 | -20.1 | -107.4 | -58.7 | 132 | 0 | 0 | 108.8 | ||||
| 326 | A | 24.7 | Very low | 29.7 | Very low | 74 Ų | 74 | 148.6 Ų | 148.6 | 61% | 0.612 | 80% | 0.803 | S | S | * | * | trans | -25.2 | 146.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 327 | S | 28.7 | Very low | 29.9 | Very low | 114 Ų | 114 | 144.8 Ų | 144.8 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | -171.7 | 165.2 | 73.9 | -65.9 | 0 | 0 | 0 | 0 | 113 | |||||
| 328 | P | 40.2 | Very low | 30.3 | Very low | 129 Ų | 129 | 145.5 Ų | 145.5 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | trans | -98.8 | 165.1 | -165.4 | 38.7 | -36.9 | 0 | 0 | 0 | 115.9 | ||||
| 329 | S | 27.6 | Very low | 30.6 | Very low | 117 Ų | 117 | 145 Ų | 145 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -146 | 144.7 | 156.9 | 56.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 330 | N | 29.3 | Very low | 30.9 | Very low | 168 Ų | 168 | 145.9 Ų | 145.9 | 90% | 0.898 | 81% | 0.814 | S | S | * | * | trans | -95.3 | 135.3 | 176.6 | -68.9 | -43.4 | 0 | 0 | 0 | 110.5 | ||||
| 331 | S | 28.6 | Very low | 31.2 | Very low | 113 Ų | 113 | 139.2 Ų | 139.2 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | trans | -150.1 | 134.9 | 148 | 53.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 332 | C | 27.4 | Very low | 30.7 | Very low | 130 Ų | 130 | 142.3 Ų | 142.3 | 88% | 0.878 | 81% | 0.81 | S | S | * | * | trans | -83.8 | 138.9 | -178.3 | -54.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 333 | L | 31.5 | Very low | 30.9 | Very low | 175 Ų | 175 | 139.9 Ų | 139.9 | 92% | 0.916 | 80% | 0.802 | S | S | * | * | trans | -111.6 | 128.2 | 161.7 | -69.5 | 175.3 | 0 | 0 | 0 | 108.5 | ||||
| 334 | D | 28.5 | Very low | 31.2 | Very low | 157 Ų | 157 | 137.9 Ų | 137.9 | 84% | 0.84 | 80% | 0.797 | S | S | * | * | trans | -108.3 | 106.1 | 171.6 | 178.1 | 19 | 0 | 0 | 0 | 108.3 | ||||
| 335 | S | 32.1 | Very low | 31.4 | Very low | 97 Ų | 97 | 137.6 Ų | 137.6 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | trans | -167.6 | 119.7 | 159.1 | -82.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 336 | T | 43.2 | Very low | 31.8 | Very low | 134 Ų | 134 | 138.1 Ų | 138.1 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | 26.4 | 105.7 | 143.1 | 58.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 337 | D | 29.2 | Very low | 32 | Very low | 148 Ų | 148 | 139.3 Ų | 139.3 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | trans | -124.7 | 153.8 | 157.3 | -110.4 | -42.5 | 0 | 0 | 0 | 112.2 | ||||
| 338 | S | 43.1 | Very low | 32.1 | Very low | 127 Ų | 127 | 145.3 Ų | 145.3 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | trans | -145 | 57.3 | 179.3 | -73.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 339 | E | 32.6 | Very low | 31.7 | Very low | 181 Ų | 181 | 148 Ų | 148 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | trans | -103.7 | 134.4 | 172 | -66.7 | -134.8 | 108.9 | 0 | 0 | 111.6 | ||||
| 340 | S | 30.9 | Very low | 31.6 | Very low | 125 Ų | 125 | 145.7 Ų | 145.7 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | -118.7 | 105.3 | 175.1 | 61.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 341 | S | 32.9 | Very low | 31.6 | Very low | 107 Ų | 107 | 145.5 Ų | 145.5 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | trans | -144.8 | 124.3 | 172.3 | -174.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 342 | H | 31.3 | Very low | 31.8 | Very low | 174 Ų | 174 | 145.5 Ų | 145.5 | 81% | 0.806 | 80% | 0.801 | S | S | * | * | trans | -151.5 | 98.2 | 161.4 | -113.1 | -89.6 | 0 | 0 | 0 | 108.6 | D344 | H342-D344 IonicContact CE1-OD2 3.98Å; H342-D344 IonicContact ND1-OD2 3.19Å; H342-D344 PolarHBondContact ND1-OD2 2.85Å | ||
| 343 | D | 30.8 | Very low | 31.9 | Very low | 128 Ų | 128 | 143.7 Ų | 143.7 | 68% | 0.684 | 80% | 0.795 | S | S | * | * | trans | -88.1 | 95.3 | 167.4 | -152.3 | -64.5 | 0 | 0 | 0 | 106.8 | R345 | D343-R345 PolarHBondContact O-N 3.07Å; D343-R345 IonicContact OD1-NH1 3.92Å | ||
| 344 | D | 30.6 | Very low | 31.8 | Very low | 120 Ų | 120 | 143.9 Ų | 143.9 | 64% | 0.642 | 80% | 0.796 | S | S | * | * | trans | -92.9 | 90.3 | -176.9 | -119.7 | -64.6 | 0 | 0 | 0 | 111.5 | H342 | H342-D344 IonicContact CE1-OD2 3.98Å; H342-D344 IonicContact ND1-OD2 3.19Å; H342-D344 PolarHBondContact ND1-OD2 2.85Å | ||
| 345 | R | 31.4 | Very low | 31.9 | Very low | 207 Ų | 207 | 143.2 Ų | 143.2 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | trans | -103.8 | 77.2 | -172.1 | -136.8 | -169.3 | -174 | 99 | -4.8 | 111.9 | D343 | D343-R345 PolarHBondContact O-N 3.07Å; D343-R345 IonicContact OD1-NH1 3.92Å | ||
| 346 | Q | 33.7 | Very low | 32 | Very low | 175 Ų | 175 | 143.6 Ų | 143.6 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -84.8 | 127.8 | 169.8 | -65.5 | -163.4 | 7.6 | 0 | 0 | 111.7 | ||||
| 347 | S | 28.9 | Very low | 31.3 | Very low | 99 Ų | 99 | 146.2 Ų | 146.2 | 69% | 0.692 | 79% | 0.793 | S | S | * | * | trans | -93.7 | 139.1 | -178 | -66.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 348 | Y | 30.5 | Very low | 31.2 | Very low | 240 Ų | 240 | 148.7 Ų | 148.7 | 94% | 0.941 | 79% | 0.791 | S | S | * | * | trans | -127.8 | 135.5 | 151.6 | -99.1 | -91.5 | 0 | 0 | 0 | 108.9 | ||||
| 349 | Q | 31 | Very low | 30.5 | Very low | 187 Ų | 187 | 152.5 Ų | 152.5 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | trans | -112.2 | 143.9 | -175.9 | -75.3 | -172.9 | -22.1 | 0 | 0 | 112.4 | ||||
| 350 | G | 25.7 | Very low | 30.1 | Very low | 67 Ų | 67 | 150.4 Ų | 150.4 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | trans | 78.3 | 125.9 | 158.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 351 | N | 28.9 | Very low | 29.9 | Very low | 165 Ų | 165 | 149.3 Ų | 149.3 | 88% | 0.882 | 78% | 0.775 | S | S | * | * | cis | -159.1 | 174.7 | 45.8 | -103.3 | -24.8 | 0 | 0 | 0 | 112.8 | ||||
| 352 | P | 34.6 | Very low | 30.1 | Very low | 112 Ų | 112 | 150.5 Ų | 150.5 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -99.3 | 166.8 | -155.9 | 38.2 | -37.9 | 0 | 0 | 0 | 116.4 | ||||
| 353 | A | 27.5 | Very low | 29.7 | Very low | 92 Ų | 92 | 146.7 Ų | 146.7 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | trans | 65.4 | 114.6 | 156.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 354 | L | 31.2 | Very low | 29.6 | Very low | 179 Ų | 179 | 149 Ų | 149 | 94% | 0.937 | 78% | 0.779 | S | S | * | * | -164.9 | 141 | 116.2 | -101.2 | 169.5 | 0 | 0 | 0 | 109.8 | |||||
| 355 | N | 28.9 | Very low | 29.4 | Very low | 143 Ų | 143 | 150.5 Ų | 150.5 | 77% | 0.765 | 78% | 0.784 | S | S | * | * | trans | -140.3 | 127.3 | 179 | 174.9 | -11.3 | 0 | 0 | 0 | 109.8 | K357 | N355-K357 PolarHBondContact OD1-N 2.93Š| ||
| 356 | P | 35.8 | Very low | 29.5 | Very low | 105 Ų | 105 | 148.3 Ų | 148.3 | 68% | 0.682 | 78% | 0.78 | S | S | * | * | trans | -135.5 | 117 | 152 | 33.1 | -16.7 | 0 | 0 | 0 | 114.6 | ||||
| 357 | K | 28.1 | Very low | 29.8 | Very low | 190 Ų | 190 | 148.8 Ų | 148.8 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | trans | 71.3 | 106.8 | 145.3 | -57.4 | 167.5 | -174.7 | 174.4 | 0 | 116.5 | N355 | N355-K357 PolarHBondContact OD1-N 2.93Š| ||
| 358 | R | 26 | Very low | 29.8 | Very low | 200 Ų | 200 | 152 Ų | 152 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | 81.9 | 105.6 | 60.3 | -175.4 | -169.6 | -173.6 | -171.9 | 4.3 | 114.2 | Q360 | R358-Q360 VanDerWaalsContact CZ-OE1 3.27Š| |||
| 359 | K | 28.2 | Very low | 30.1 | Very low | 207 Ų | 207 | 146.4 Ų | 146.4 | 90% | 0.9 | 78% | 0.782 | S | S | * | * | trans | -131.4 | 144.7 | 131 | -74.5 | -168.3 | 177.5 | -179.4 | 0 | 108.7 | ||||
| 360 | Q | 25.7 | Very low | 29.9 | Very low | 136 Ų | 136 | 147 Ų | 147 | 64% | 0.636 | 78% | 0.782 | S | S | * | * | trans | -103.5 | 172.5 | 173.4 | -59.8 | 162.8 | -94.4 | 0 | 0 | 106.4 | R358 | R358-Q360 VanDerWaalsContact CZ-OE1 3.27Š| ||
| 361 | S | 25.6 | Very low | 30.1 | Very low | 103 Ų | 103 | 147.5 Ų | 147.5 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | cis | -174.2 | -172.9 | 38.7 | -58.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 362 | P | 38.1 | Very low | 30.5 | Very low | 132 Ų | 132 | 147.2 Ų | 147.2 | 86% | 0.857 | 78% | 0.777 | S | S | * | * | cis | -120.9 | -165.5 | -22.3 | 30.8 | -10.3 | 0 | 0 | 0 | 111.2 | ||||
| 363 | A | 23.3 | Very low | 30 | Very low | 94 Ų | 94 | 148.9 Ų | 148.9 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | trans | -129.1 | 154.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 364 | Y | 27.3 | Very low | 30.6 | Very low | 177 Ų | 177 | 148 Ų | 148 | 69% | 0.694 | 77% | 0.773 | S | S | * | * | trans | 51.4 | 116 | 141.8 | -165.2 | -87.3 | 0 | 0 | 0 | 121 | K366 | Y364-K366 HydrophobicContact CE1-CG 4.05Š| ||
| 365 | M | 28.3 | Very low | 30.9 | Very low | 150 Ų | 150 | 146.1 Ų | 146.1 | 74% | 0.739 | 77% | 0.769 | S | S | * | * | -166.2 | 119.7 | 129.6 | -91.4 | -53.4 | 165.6 | 0 | 0 | 106 | |||||
| 366 | K | 32.4 | Very low | 31.1 | Very low | 161 Ų | 161 | 149.3 Ų | 149.3 | 70% | 0.7 | 78% | 0.776 | S | S | * | * | 70.4 | 136.9 | 95.8 | -79.5 | -160.9 | 177.5 | -169 | 0 | 116 | Y364 | Y364-K366 HydrophobicContact CE1-CG 4.05Š| |||
| 367 | E | 40.5 | Very low | 30.7 | Very low | 186 Ų | 186 | 148.9 Ų | 148.9 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | trans | -76.2 | 155.2 | 176.4 | -58.3 | 146.6 | 119.1 | 0 | 0 | 111.5 | ||||
| 368 | D | 28.3 | Very low | 30.9 | Very low | 165 Ų | 165 | 145.6 Ų | 145.6 | 88% | 0.882 | 78% | 0.779 | S | S | * | * | trans | -157.7 | 171.2 | 147.8 | -124.6 | -41.6 | 0 | 0 | 0 | 111.6 | ||||
| 369 | V | 36.2 | Very low | 31.6 | Very low | 124 Ų | 124 | 146.5 Ų | 146.5 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | trans | -101.2 | 156.4 | -156.3 | 172.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 370 | K | 27.5 | Very low | 31.6 | Very low | 198 Ų | 198 | 139.8 Ų | 139.8 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | trans | 101.6 | 123.3 | 151.3 | -108.8 | 168.5 | -176.8 | 175.4 | 0 | 121.6 | ||||
| 371 | A | 29.7 | Very low | 32 | Very low | 78 Ų | 78 | 138.8 Ų | 138.8 | 65% | 0.645 | 79% | 0.786 | S | S | * | * | trans | 79.1 | 114.4 | 131.5 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 372 | L | 36.9 | Very low | 32.7 | Very low | 159 Ų | 159 | 141.8 Ų | 141.8 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | 62.5 | 157.8 | 157.6 | -74.4 | 87.3 | 0 | 0 | 0 | 117.2 | ||||
| 373 | D | 24.9 | Very low | 32.9 | Very low | 147 Ų | 147 | 142.9 Ų | 142.9 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | cis | -137.1 | 174 | 5.1 | -156.1 | -3.8 | 0 | 0 | 0 | 112.1 | ||||
| 374 | A | 40 | Very low | 33.8 | Very low | 75 Ų | 75 | 143.3 Ų | 143.3 | 62% | 0.62 | 77% | 0.774 | S | S | * | * | trans | -83.8 | 141.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 375 | T | 37.5 | Very low | 34.9 | Very low | 139 Ų | 139 | 139.7 Ų | 139.7 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | trans | 171 | 83 | 133.8 | 32.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 376 | K | 33 | Very low | 36 | Very low | 210 Ų | 210 | 137.4 Ų | 137.4 | 91% | 0.913 | 75% | 0.749 | S | S | * | * | trans | 174.3 | 100.5 | 142.1 | -100.5 | 159.3 | -176.1 | 171.5 | 0 | 111.4 | ||||
| 377 | A | 28.3 | Very low | 36.8 | Very low | 95 Ų | 95 | 136.7 Ų | 136.7 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | trans | -86.9 | 133 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 378 | P | 32.3 | Very low | 37.4 | Very low | 122 Ų | 122 | 130.6 Ų | 130.6 | 79% | 0.792 | 72% | 0.722 | S | S | * | * | trans | -70.5 | 135.3 | 164.8 | 30.1 | -32.3 | 0 | 0 | 0 | 109.5 | G380 | P378-G380 PolarHBondContact O-N 3.03Š| ||
| 379 | K | 39.7 | Very low | 38.5 | Very low | 219 Ų | 219 | 128.2 Ų | 128.2 | 95% | 0.952 | 70% | 0.704 | S | S | * | * | trans | -74.7 | 84.3 | -178.4 | -69.3 | -175.4 | 177.8 | -177.7 | 0 | 111.8 | ||||
| 380 | G | 27.9 | Very low | 39.2 | Very low | 65 Ų | 65 | 124.4 Ų | 124.4 | 67% | 0.67 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 150.6 | 156.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | P378 L382 | P378-G380 PolarHBondContact O-N 3.03Å; G380-L382 PolarHBondContact O-N 3.15Å |
| 381 | S | 34.4 | Very low | 40.1 | Very low | 116 Ų | 116 | 119.4 Ų | 119.4 | 81% | 0.811 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -55 | 135 | -179.2 | -168.6 | 0 | 0 | 0 | 0 | 111.6 | K383 | S381-K383 PolarHBondContact O-N 3.35Š|
| 382 | L | 40.2 | Very low | 41.2 | Very low | 165 Ų | 165 | 123.6 Ų | 123.6 | 86% | 0.864 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 123.4 | 162.4 | -81.3 | 153.7 | 0 | 0 | 0 | 107.8 | G380 | G380-L382 PolarHBondContact O-N 3.15Š|
| 383 | K | 42.9 | Very low | 41.7 | Very low | 155 Ų | 155 | 118.5 Ų | 118.5 | 67% | 0.674 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 141.1 | 164.5 | -64.1 | 176.7 | -179.8 | 176.2 | 0 | 106.5 | S381 I385 | S381-K383 PolarHBondContact O-N 3.35Å; K383-I385 PolarHBondContact O-N 3.29Å |
| 384 | D | 42.2 | Very low | 42.9 | Very low | 103 Ų | 103 | 117.8 Ų | 117.8 | 55% | 0.551 | 67% | 0.667 | S | S | * | * | trans | -63 | 105.7 | 175.1 | -63.5 | -39.7 | 0 | 0 | 0 | 109.9 | Y386 | D384-Y386 HydrophobicContact CB-CD2 4.16Å; D384-Y386 HydrophobicContact CB-CE2 3.55Å; D384-Y386 WeakPolarHBondContact O-CD2 3.34Å; D384-Y386 PolarHBondContact O-N 2.89Å | ||
| 385 | I | 50.1 | Low | 43.1 | Very low | 101 Ų | 101 | 118.5 Ų | 118.5 | 52% | 0.518 | 66% | 0.658 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.6 | 98.8 | 170.5 | -54.4 | -176.8 | 0 | 0 | 0 | 106.3 | K383 K387 F399 | K383-I385 PolarHBondContact O-N 3.29Å; I385-K387 PolarHBondContact O-N 2.81Å; I385-F399 HydrophobicContact CD1-CE1 3.92Å; I385-F399 HydrophobicContact CD1-CZ 4.42Å; I385-F399 HydrophobicContact CG1-CD1 4.26Å; I385-F399 HydrophobicContact CG1-CE1 3.76Å |
| 386 | Y | 50.4 | Low | 44 | Very low | 102 Ų | 102 | 114.1 Ų | 114.1 | 40% | 0.4 | 63% | 0.629 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -73.5 | 121.1 | 175.3 | -64.2 | -92.2 | 0 | 0 | 0 | 108.1 | D384 V388 A398 K400 | D384-Y386 HydrophobicContact CB-CD2 4.16Å; D384-Y386 HydrophobicContact CB-CE2 3.55Å; D384-Y386 WeakPolarHBondContact O-CD2 3.34Å; D384-Y386 PolarHBondContact O-N 2.89Å; Y386-V388 PolarHBondContact O-N 3.44Å; Y386-V388 VanDerWaalsContact O-N 3.13Å; Y386-A398 PolarHBondContact N-O 3.21Å; Y386-A398 VanDerWaalsContact N-O 3.17Å; Y386-A398 PolarHBondContact O-N 3.41Å; Y386-K400 HydrophobicContact CD2-CB 4.45Å; Y386-K400 HydrophobicContact CE2-CB 3.97Å; Y386-K400 HydrophobicContact CE2-CD 4.01Å |
| 387 | K | 49.2 | Very low | 44.6 | Very low | 147 Ų | 147 | 110 Ų | 110 | 64% | 0.639 | 61% | 0.608 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -74.7 | 97.4 | 168.1 | -67.3 | -168.7 | 176.6 | -162.1 | 0 | 107.9 | I385 F389 Q395 | I385-K387 PolarHBondContact O-N 2.81Å; K387-F389 HydrophobicContact CB-CE2 4.24Å; K387-Q395 HydrophobicContact CB-CG 4.47Å |
| 388 | V | 53.4 | Low | 45.8 | Very low | 58 Ų | 58 | 105.7 Ų | 105.7 | 35% | 0.352 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.7 | 141.4 | 172.9 | 179.4 | 0 | 0 | 0 | 0 | 107.1 | Y386 Q395 I396 A398 | Y386-V388 PolarHBondContact O-N 3.44Å; Y386-V388 VanDerWaalsContact O-N 3.13Å; V388-Q395 CarbonylContact O-C 3.5Å; V388-I396 PolarHBondContact N-O 3.23Å; V388-I396 PolarHBondContact O-N 3.42Å; V388-A398 HydrophobicContact CB-CB 4.28Å; V388-A398 HydrophobicContact CG2-CB 3.58Å |
| 389 | F | 52.4 | Low | 46.8 | Very low | 115 Ų | 115 | 103.6 Ų | 103.6 | 50% | 0.504 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.4 | 142 | 172.7 | -64.6 | -96.1 | 0 | 0 | 0 | 108.6 | K387 G393 E394 Q395 | K387-F389 HydrophobicContact CB-CE2 4.24Å; F389-G393 WeakPolarHBondContact CD1-O 3.48Å; F389-E394 CarbonylContact C-O 3.51Å; F389-E394 VanDerWaalsContact CA-O 3.23Å; F389-E394 WeakPolarHBondContact CA-O 3.41Å; F389-Q395 HydrophobicContact CD1-CB 3.86Å; F389-Q395 HydrophobicContact CD1-CG 4.11Å; F389-Q395 HydrophobicContact CE1-CB 3.54Å; F389-Q395 HydrophobicContact CE1-CG 3.62Å; F389-Q395 HydrophobicContact CE2-CG 4.27Å; F389-Q395 HydrophobicContact CZ-CB 4.17Å; F389-Q395 HydrophobicContact CZ-CG 3.71Å |
| 390 | N | 50.2 | Low | 47 | Very low | 43 Ų | 43 | 97.8 Ų | 97.8 | 23% | 0.23 | 53% | 0.525 | C | S | . | . | trans | -75.3 | 175.4 | 172 | 75.3 | -4.2 | 0 | 0 | 0 | 110.7 | E392 G393 E394 I396 | N390-E392 PolarHBondContact ND2-OE2 3.25Å; N390-E392 PolarHBondContact O-N 2.89Å; N390-E392 VanDerWaalsContact O-N 3.08Å; N390-E392 WeakPolarHBondContact OD1-CA 2.93Å; N390-E392 WeakPolarHBondContact OD1-CB 3.45Å; N390-E392 PolarHBondContact OD1-N 3.45Å; N390-G393 PolarHBondContact O-N 3.43Å; N390-G393 PolarHBondContact OD1-N 2.9Å; N390-E394 PolarHBondContact N-O 3.34Å; N390-E394 PolarHBondContact OD1-N 3.47Å; N390-I396 HydrophobicContact CB-CD1 3.94Å | ||
| 391 | G | 45.8 | Very low | 47.8 | Very low | 93 Ų | 93 | 96 Ų | 96 | 96% | 0.959 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -8.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 392 | E | 52.8 | Low | 48.3 | Very low | 166 Ų | 166 | 97.8 Ų | 97.8 | 78% | 0.776 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.9 | -3.7 | -178.2 | -57.9 | 167.1 | 153.2 | 0 | 0 | 111.9 | N390 | N390-E392 PolarHBondContact ND2-OE2 3.25Å; N390-E392 PolarHBondContact O-N 2.89Å; N390-E392 VanDerWaalsContact O-N 3.08Å; N390-E392 WeakPolarHBondContact OD1-CA 2.93Å; N390-E392 WeakPolarHBondContact OD1-CB 3.45Å; N390-E392 PolarHBondContact OD1-N 3.45Å |
| 393 | G | 47.8 | Very low | 48.2 | Very low | 52 Ų | 52 | 98.2 Ų | 98.2 | 54% | 0.536 | 50% | 0.495 | S | S | . | . | S | Bend | trans | 93.5 | 3.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116 | F389 N390 | F389-G393 WeakPolarHBondContact CD1-O 3.48Å; N390-G393 PolarHBondContact O-N 3.43Å; N390-G393 PolarHBondContact OD1-N 2.9Å |
| 394 | E | 49.8 | Very low | 48.3 | Very low | 132 Ų | 132 | 92.8 Ų | 92.8 | 62% | 0.617 | 48% | 0.476 | S | S | * | . | trans | -79.1 | 138.7 | 177.7 | -58.4 | -159.5 | 128.4 | 0 | 0 | 112.5 | F389 N390 I396 | F389-E394 CarbonylContact C-O 3.51Å; F389-E394 VanDerWaalsContact CA-O 3.23Å; F389-E394 WeakPolarHBondContact CA-O 3.41Å; N390-E394 PolarHBondContact N-O 3.34Å; N390-E394 PolarHBondContact OD1-N 3.47Å; E394-I396 PolarHBondContact O-N 3.47Å | ||
| 395 | Q | 45.8 | Very low | 48.6 | Very low | 91 Ų | 91 | 96.2 Ų | 96.2 | 43% | 0.425 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 93.7 | -175.4 | -162.4 | -155.5 | -84 | 0 | 0 | 112.7 | K387 V388 F389 | K387-Q395 HydrophobicContact CB-CG 4.47Å; V388-Q395 CarbonylContact O-C 3.5Å; F389-Q395 HydrophobicContact CD1-CB 3.86Å; F389-Q395 HydrophobicContact CD1-CG 4.11Å; F389-Q395 HydrophobicContact CE1-CB 3.54Å; F389-Q395 HydrophobicContact CE1-CG 3.62Å; F389-Q395 HydrophobicContact CE2-CG 4.27Å; F389-Q395 HydrophobicContact CZ-CB 4.17Å; F389-Q395 HydrophobicContact CZ-CG 3.71Å |
| 396 | I | 54.8 | Low | 48.6 | Very low | 47 Ų | 47 | 92.1 Ų | 92.1 | 24% | 0.241 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 136 | 172.2 | -59.3 | 177.7 | 0 | 0 | 0 | 110.9 | V388 N390 E394 A398 L409 D410 | V388-I396 PolarHBondContact N-O 3.23Å; V388-I396 PolarHBondContact O-N 3.42Å; N390-I396 HydrophobicContact CB-CD1 3.94Å; E394-I396 PolarHBondContact O-N 3.47Å; I396-A398 PolarHBondContact O-N 3.08Å; I396-L409 HydrophobicContact CG2-CB 4.08Å; I396-L409 HydrophobicContact CG2-CD2 3.74Å; I396-D410 WeakPolarHBondContact CA-OD2 3.37Å; I396-D410 HydrophobicContact CG2-CB 4.34Å |
| 397 | R | 46.5 | Very low | 48.5 | Very low | 124 Ų | 124 | 91 Ų | 91 | 47% | 0.468 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 105.2 | 172.3 | -65.1 | 173.3 | -68.7 | -133.5 | 1 | 109.8 | F399 D410 | R397-F399 HydrophobicContact CB-CE2 4.09Å; R397-D410 IonicContact CZ-OD1 3.13Å; R397-D410 PolarHBondContact N-OD2 3.26Å; R397-D410 IonicContact NE-OD1 2.76Å; R397-D410 PolarHBondContact NE-OD1 3.27Å; R397-D410 IonicContact NE-OD2 3.75Å; R397-D410 IonicContact NH2-OD1 2.68Å; R397-D410 PolarHBondContact NH2-OD1 3.06Å; R397-D410 PolarHBondContact O-N 2.97Å |
| 398 | A | 53.4 | Low | 48.6 | Very low | 4 Ų | 4 | 86.8 Ų | 86.8 | 3% | 0.033 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 123.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y386 V388 I396 F408 L409 | Y386-A398 PolarHBondContact N-O 3.21Å; Y386-A398 VanDerWaalsContact N-O 3.17Å; Y386-A398 PolarHBondContact O-N 3.41Å; V388-A398 HydrophobicContact CB-CB 4.28Å; V388-A398 HydrophobicContact CG2-CB 3.58Å; I396-A398 PolarHBondContact O-N 3.08Å; A398-F408 WeakPolarHBondContact CA-O 3.46Å; A398-L409 HydrophobicContact CB-CD2 3.64Å |
| 399 | F | 53 | Low | 48.6 | Very low | 78 Ų | 78 | 86.4 Ų | 86.4 | 34% | 0.342 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 126.5 | 174.1 | -62 | -87.9 | 0 | 0 | 0 | 111.5 | I385 R397 F408 | I385-F399 HydrophobicContact CD1-CE1 3.92Å; I385-F399 HydrophobicContact CD1-CZ 4.42Å; I385-F399 HydrophobicContact CG1-CD1 4.26Å; I385-F399 HydrophobicContact CG1-CE1 3.76Å; R397-F399 HydrophobicContact CB-CE2 4.09Å; F399-F408 HydrophobicContact CB-CB 4.36Å; F399-F408 PolarHBondContact N-O 2.82Å; F399-F408 PolarHBondContact O-N 3.33Å |
| 400 | K | 44.3 | Very low | 48.3 | Very low | 96 Ų | 96 | 83.4 Ų | 83.4 | 42% | 0.417 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 115.2 | 177.1 | -176.8 | -172.9 | 173.4 | -155.8 | 0 | 111.1 | Y386 E402 L407 | Y386-K400 HydrophobicContact CD2-CB 4.45Å; Y386-K400 HydrophobicContact CE2-CB 3.97Å; Y386-K400 HydrophobicContact CE2-CD 4.01Å; K400-E402 IonicContact NZ-OE1 3.32Å; K400-E402 PolarHBondContact O-N 3.39Å; K400-L407 HydrophobicContact CB-CD2 4.06Å; K400-L407 HydrophobicContact CG-CD2 4.27Å |
| 401 | C | 45.3 | Very low | 48 | Very low | 28 Ų | 28 | 89.4 Ų | 89.4 | 19% | 0.189 | 45% | 0.454 | C | S | . | . | trans | -84.9 | 95.7 | 172.5 | 176.4 | 0 | 0 | 0 | 0 | 110.7 | H403 C404 R405 V406 F408 | C401-H403 PolarHBondContact O-N 2.86Å; C401-C404 HydrophobicContact CB-CB 4.37Å; C401-C404 WeakPolarHBondContact CB-SG 3.48Å; C401-C404 PolarHBondContact O-N 3.32Å; C401-C404 VanDerWaalsContact O-N 3.14Å; C401-C404 WeakPolarHBondContact SG-CB 3.37Å; C401-C404 PolarHBondContact SG-N 3.1Å; C401-C404 CovalentContact SG-SG 2.04Å; C401-C404 PolarHBondContact SG-SG 2.89Å; C401-R405 WeakPolarHBondContact O-CA 3.34Å; C401-R405 PolarHBondContact O-N 3.4Å; C401-V406 HydrophobicContact CB-CB 4.4Å; C401-V406 WeakPolarHBondContact CB-O 3.48Å; C401-V406 PolarHBondContact N-O 2.95Å; C401-F408 HydrophobicContact CB-CE2 4.03Å | ||
| 402 | E | 43.2 | Very low | 47.9 | Very low | 153 Ų | 153 | 88.7 Ų | 88.7 | 72% | 0.715 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -34.4 | 178.6 | -58.1 | -149.6 | 118.7 | 0 | 0 | 113.2 | K400 C404 | K400-E402 IonicContact NZ-OE1 3.32Å; K400-E402 PolarHBondContact O-N 3.39Å; E402-C404 VanDerWaalsContact C-N 3.3Å; E402-C404 PolarHBondContact O-N 3.46Å |
| 403 | H | 39.9 | Very low | 47.4 | Very low | 174 Ų | 174 | 84.2 Ų | 84.2 | 81% | 0.806 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -21.6 | -179.4 | -124.8 | 86.3 | 0 | 0 | 0 | 114.3 | C401 | C401-H403 PolarHBondContact O-N 2.86Š|
| 404 | C | 43.6 | Very low | 47.3 | Very low | 41 Ų | 41 | 88.2 Ų | 88.2 | 28% | 0.277 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.2 | -2.6 | -172.1 | 65.1 | 0 | 0 | 0 | 0 | 114.9 | C401 E402 V406 | C401-C404 HydrophobicContact CB-CB 4.37Å; C401-C404 WeakPolarHBondContact CB-SG 3.48Å; C401-C404 PolarHBondContact O-N 3.32Å; C401-C404 VanDerWaalsContact O-N 3.14Å; C401-C404 WeakPolarHBondContact SG-CB 3.37Å; C401-C404 PolarHBondContact SG-N 3.1Å; C401-C404 CovalentContact SG-SG 2.04Å; C401-C404 PolarHBondContact SG-SG 2.89Å; E402-C404 VanDerWaalsContact C-N 3.3Å; E402-C404 PolarHBondContact O-N 3.46Å; C404-V406 HydrophobicContact CB-CG2 4.31Å; C404-V406 PolarHBondContact O-N 3.08Å |
| 405 | R | 48.4 | Very low | 46.9 | Very low | 176 Ų | 176 | 84.4 Ų | 84.4 | 66% | 0.664 | 40% | 0.397 | S | S | * | . | trans | 54.3 | 11.5 | -174.6 | -71.7 | -176.5 | 167.7 | 134.3 | -2 | 115.4 | S148 C401 | S148-R405 PolarHBondContact OG-NH2 2.86Å; C401-R405 WeakPolarHBondContact O-CA 3.34Å; C401-R405 PolarHBondContact O-N 3.4Å | ||
| 406 | V | 49.8 | Very low | 46.6 | Very low | 15 Ų | 15 | 85.4 Ų | 85.4 | 9% | 0.091 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -76.2 | 135.7 | 172.6 | 176.7 | 0 | 0 | 0 | 0 | 109.8 | C401 C404 F408 M413 | C401-V406 HydrophobicContact CB-CB 4.4Å; C401-V406 WeakPolarHBondContact CB-O 3.48Å; C401-V406 PolarHBondContact N-O 2.95Å; C404-V406 HydrophobicContact CB-CG2 4.31Å; C404-V406 PolarHBondContact O-N 3.08Å; V406-F408 HydrophobicContact CB-CE2 3.94Å; V406-F408 HydrophobicContact CB-CZ 4.29Å; V406-F408 HydrophobicContact CG1-CD1 4.43Å; V406-F408 HydrophobicContact CG1-CD2 3.88Å; V406-F408 HydrophobicContact CG1-CE1 4.12Å; V406-F408 HydrophobicContact CG1-CE2 3.5Å; V406-F408 HydrophobicContact CG1-CG 4.32Å; V406-F408 HydrophobicContact CG1-CZ 3.64Å; V406-M413 HydrophobicContact CG1-CG 4.1Å |
| 407 | L | 48.1 | Very low | 45.6 | Very low | 79 Ų | 79 | 89.6 Ų | 89.6 | 41% | 0.414 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 128.9 | 163.6 | -69.2 | 168.9 | 0 | 0 | 0 | 107.9 | K400 Y414 | K400-L407 HydrophobicContact CB-CD2 4.06Å; K400-L407 HydrophobicContact CG-CD2 4.27Å; L407-Y414 PolarHBondContact O-N 3.47Å |
| 408 | F | 52.2 | Low | 45 | Very low | 57 Ų | 57 | 91.1 Ų | 91.1 | 25% | 0.25 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 127.2 | 171.2 | -62.1 | -96.4 | 0 | 0 | 0 | 107.9 | A398 F399 C401 V406 M413 | A398-F408 WeakPolarHBondContact CA-O 3.46Å; F399-F408 HydrophobicContact CB-CB 4.36Å; F399-F408 PolarHBondContact N-O 2.82Å; F399-F408 PolarHBondContact O-N 3.33Å; C401-F408 HydrophobicContact CB-CE2 4.03Å; V406-F408 HydrophobicContact CB-CE2 3.94Å; V406-F408 HydrophobicContact CB-CZ 4.29Å; V406-F408 HydrophobicContact CG1-CD1 4.43Å; V406-F408 HydrophobicContact CG1-CD2 3.88Å; V406-F408 HydrophobicContact CG1-CE1 4.12Å; V406-F408 HydrophobicContact CG1-CE2 3.5Å; V406-F408 HydrophobicContact CG1-CG 4.32Å; V406-F408 HydrophobicContact CG1-CZ 3.64Å; F408-M413 HydrophobicContact CD1-CB 4.16Å; F408-M413 HydrophobicContact CD1-CG 4.04Å; F408-M413 HydrophobicContact CE1-CB 4.06Å; F408-M413 HydrophobicContact CE1-CG 3.54Å; F408-M413 HydrophobicContact CE1-SD 3.79Å; F408-M413 HydrophobicContact CZ-CG 4.26Å; F408-M413 HydrophobicContact CZ-SD 4.27Å |
| 409 | L | 53.8 | Low | 44.2 | Very low | 51 Ų | 51 | 94 Ų | 94 | 27% | 0.267 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 112.9 | 177.5 | -69.2 | 169 | 0 | 0 | 0 | 106.7 | I396 A398 H411 V412 Y414 | I396-L409 HydrophobicContact CG2-CB 4.08Å; I396-L409 HydrophobicContact CG2-CD2 3.74Å; A398-L409 HydrophobicContact CB-CD2 3.64Å; L409-H411 PolarHBondContact O-N 3.16Å; L409-V412 PolarHBondContact N-O 2.82Å; L409-V412 WeakPolarHBondContact O-CA 3.46Å; L409-V412 WeakPolarHBondContact O-CB 3.49Å; L409-V412 PolarHBondContact O-N 3.22Å; L409-Y414 HydrophobicContact CB-CD2 4.33Å; L409-Y414 HydrophobicContact CB-CE2 4.15Å; L409-Y414 HydrophobicContact CD1-CD2 4Å; L409-Y414 HydrophobicContact CD1-CE2 3.82Å; L409-Y414 HydrophobicContact CG-CD2 4.44Å; L409-Y414 HydrophobicContact CG-CE2 4.47Å |
| 410 | D | 46 | Very low | 43.2 | Very low | 51 Ų | 51 | 95.3 Ų | 95.3 | 27% | 0.273 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 18.3 | 82.4 | -175.1 | -85.5 | -55.8 | 0 | 0 | 0 | 116.2 | I396 R397 V412 | I396-D410 WeakPolarHBondContact CA-OD2 3.37Å; I396-D410 HydrophobicContact CG2-CB 4.34Å; R397-D410 IonicContact CZ-OD1 3.13Å; R397-D410 PolarHBondContact N-OD2 3.26Å; R397-D410 IonicContact NE-OD1 2.76Å; R397-D410 PolarHBondContact NE-OD1 3.27Å; R397-D410 IonicContact NE-OD2 3.75Å; R397-D410 IonicContact NH2-OD1 2.68Å; R397-D410 PolarHBondContact NH2-OD1 3.06Å; R397-D410 PolarHBondContact O-N 2.97Å; D410-V412 PolarHBondContact O-N 3.32Å |
| 411 | H | 44.6 | Very low | 42.8 | Very low | 169 Ų | 169 | 100.4 Ų | 100.4 | 78% | 0.782 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.2 | -12.1 | 177.7 | -54.3 | -91.2 | 0 | 0 | 0 | 116.4 | L409 | L409-H411 PolarHBondContact O-N 3.16Š|
| 412 | V | 43.6 | Very low | 42.1 | Very low | 79 Ų | 79 | 102.2 Ų | 102.2 | 48% | 0.479 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 123.4 | 169.9 | -173.6 | 0 | 0 | 0 | 0 | 110.5 | L409 D410 Y414 | L409-V412 PolarHBondContact N-O 2.82Å; L409-V412 WeakPolarHBondContact O-CA 3.46Å; L409-V412 WeakPolarHBondContact O-CB 3.49Å; L409-V412 PolarHBondContact O-N 3.22Å; D410-V412 PolarHBondContact O-N 3.32Å; V412-Y414 HydrophobicContact CB-CD2 4.48Å; V412-Y414 HydrophobicContact CB-CE2 4.02Å; V412-Y414 HydrophobicContact CG1-CD2 4.02Å; V412-Y414 HydrophobicContact CG1-CE2 3.58Å |
| 413 | M | 41.8 | Very low | 42 | Very low | 72 Ų | 72 | 106.3 Ų | 106.3 | 36% | 0.355 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 101.1 | 179 | -177.9 | 175.6 | 58.8 | 0 | 0 | 111.2 | V406 F408 T415 F442 | V406-M413 HydrophobicContact CG1-CG 4.1Å; F408-M413 HydrophobicContact CD1-CB 4.16Å; F408-M413 HydrophobicContact CD1-CG 4.04Å; F408-M413 HydrophobicContact CE1-CB 4.06Å; F408-M413 HydrophobicContact CE1-CG 3.54Å; F408-M413 HydrophobicContact CE1-SD 3.79Å; F408-M413 HydrophobicContact CZ-CG 4.26Å; F408-M413 HydrophobicContact CZ-SD 4.27Å; M413-T415 VanDerWaalsContact C-N 3.34Å; M413-T415 HydrophobicContact CE-CG2 3.8Å; M413-T415 HydrophobicContact CG-CG2 3.99Å; M413-T415 PolarHBondContact O-N 2.68Å; M413-T415 HydrophobicContact SD-CG2 3.97Å; M413-F442 HydrophobicContact CE-CE1 4.11Å; M413-F442 HydrophobicContact CE-CZ 3.6Å |
| 414 | Y | 45.1 | Very low | 41.9 | Very low | 135 Ų | 135 | 107.9 Ų | 107.9 | 53% | 0.529 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 80.4 | 173.6 | -73.3 | -92.3 | 0 | 0 | 0 | 111.1 | L407 L409 V412 I416 | L407-Y414 PolarHBondContact O-N 3.47Å; L409-Y414 HydrophobicContact CB-CD2 4.33Å; L409-Y414 HydrophobicContact CB-CE2 4.15Å; L409-Y414 HydrophobicContact CD1-CD2 4Å; L409-Y414 HydrophobicContact CD1-CE2 3.82Å; L409-Y414 HydrophobicContact CG-CD2 4.44Å; L409-Y414 HydrophobicContact CG-CE2 4.47Å; V412-Y414 HydrophobicContact CB-CD2 4.48Å; V412-Y414 HydrophobicContact CB-CE2 4.02Å; V412-Y414 HydrophobicContact CG1-CD2 4.02Å; V412-Y414 HydrophobicContact CG1-CE2 3.58Å; Y414-I416 PolarHBondContact O-N 2.97Å |
| 415 | T | 41.5 | Very low | 41.7 | Very low | 52 Ų | 52 | 110.8 Ų | 110.8 | 32% | 0.319 | 56% | 0.555 | S | S | . | * | trans | -65 | 102.9 | 172.6 | 43.7 | 0 | 0 | 0 | 0 | 111.3 | M413 H417 | M413-T415 VanDerWaalsContact C-N 3.34Å; M413-T415 HydrophobicContact CE-CG2 3.8Å; M413-T415 HydrophobicContact CG-CG2 3.99Å; M413-T415 PolarHBondContact O-N 2.68Å; M413-T415 HydrophobicContact SD-CG2 3.97Å; T415-H417 VanDerWaalsContact C-N 3.3Å; T415-H417 PolarHBondContact O-N 2.96Å | ||
| 416 | I | 40.1 | Very low | 41.7 | Very low | 112 Ų | 112 | 108.2 Ų | 108.2 | 57% | 0.574 | 56% | 0.561 | S | S | * | * | trans | -69.1 | 91.4 | 163.7 | -56.7 | -178.1 | 0 | 0 | 0 | 107.4 | Y414 M418 | Y414-I416 PolarHBondContact O-N 2.97Å; I416-M418 VanDerWaalsContact C-N 3.31Å; I416-M418 PolarHBondContact O-N 2.92Å | ||
| 417 | H | 33.9 | Very low | 41.2 | Very low | 136 Ų | 136 | 110.5 Ų | 110.5 | 63% | 0.63 | 57% | 0.572 | S | S | * | * | trans | -82.5 | 60.4 | -153.4 | -151.7 | -78.2 | 0 | 0 | 0 | 114.8 | T415 G419 | T415-H417 VanDerWaalsContact C-N 3.3Å; T415-H417 PolarHBondContact O-N 2.96Å; H417-G419 VanDerWaalsContact C-N 3.31Å; H417-G419 PolarHBondContact O-N 3.04Å | ||
| 418 | M | 34 | Very low | 40.9 | Very low | 156 Ų | 156 | 110.3 Ų | 110.3 | 77% | 0.768 | 57% | 0.569 | S | S | * | * | trans | -77.5 | 73.8 | 179 | -68.7 | -62 | -73.1 | 0 | 0 | 113.1 | I416 | I416-M418 VanDerWaalsContact C-N 3.31Å; I416-M418 PolarHBondContact O-N 2.92Å | ||
| 419 | G | 36.7 | Very low | 40.6 | Very low | 63 Ų | 63 | 110 Ų | 110 | 65% | 0.649 | 57% | 0.573 | S | S | * | * | trans | 65.1 | 70.8 | 153.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | H417 | H417-G419 VanDerWaalsContact C-N 3.31Å; H417-G419 PolarHBondContact O-N 3.04Å | ||
| 420 | C | 31 | Very low | 39.8 | Very low | 107 Ų | 107 | 113.5 Ų | 113.5 | 72% | 0.723 | 59% | 0.592 | S | S | * | * | trans | -119.8 | 77.9 | 168.5 | -76.3 | 0 | 0 | 0 | 0 | 112 | G422 | C420-G422 PolarHBondContact O-N 2.92Š| ||
| 421 | H | 35.4 | Very low | 39.4 | Very low | 202 Ų | 202 | 116.5 Ų | 116.5 | 94% | 0.935 | 61% | 0.607 | S | S | * | * | trans | -74.3 | 115.1 | 164.2 | -74.1 | -82.6 | 0 | 0 | 0 | 109.9 | ||||
| 422 | G | 31 | Very low | 39.3 | Very low | 66 Ų | 66 | 112 Ų | 112 | 68% | 0.68 | 59% | 0.594 | S | S | * | * | trans | 175.3 | 82.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | C420 R424 | C420-G422 PolarHBondContact O-N 2.92Å; G422-R424 PolarHBondContact O-N 3.19Å | ||
| 423 | Y | 42.3 | Very low | 39.1 | Very low | 239 Ų | 239 | 110.7 Ų | 110.7 | 94% | 0.937 | 60% | 0.596 | S | S | * | * | trans | -61.1 | 107.4 | 177.6 | -89.7 | -95.1 | 0 | 0 | 0 | 111.8 | ||||
| 424 | R | 37.3 | Very low | 39.2 | Very low | 208 Ų | 208 | 113.7 Ų | 113.7 | 79% | 0.785 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -156.2 | 117.6 | 151.9 | -122.5 | -177.7 | -179 | -162.5 | -2.3 | 110.3 | G422 N430 | G422-R424 PolarHBondContact O-N 3.19Å; R424-N430 PolarHBondContact O-ND2 3.15Å; R424-N430 VanDerWaalsContact O-ND2 3.16Å |
| 425 | D | 40 | Very low | 38.9 | Very low | 102 Ų | 102 | 114.1 Ų | 114.1 | 55% | 0.545 | 61% | 0.605 | S | S | . | * | trans | 53.9 | 112.9 | -173.2 | -94.4 | -70.1 | 0 | 0 | 0 | 116.4 | L427 | D425-L427 PolarHBondContact O-N 2.84Å; D425-L427 VanDerWaalsContact O-N 3.09Å | ||
| 426 | P | 46.5 | Very low | 39.1 | Very low | 121 Ų | 121 | 113.7 Ų | 113.7 | 79% | 0.786 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -10 | 174.9 | -21.5 | 33.5 | 0 | 0 | 0 | 115 | ||
| 427 | L | 40.4 | Very low | 39 | Very low | 63 Ų | 63 | 117.4 Ų | 117.4 | 33% | 0.33 | 62% | 0.619 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -107.3 | -7 | -167.6 | -63 | 174.5 | 0 | 0 | 0 | 114 | D425 R435 S436 | D425-L427 PolarHBondContact O-N 2.84Å; D425-L427 VanDerWaalsContact O-N 3.09Å; L427-R435 CarbonylContact O-C 3.34Å; L427-R435 VanDerWaalsContact O-CA 3.25Å; L427-R435 WeakPolarHBondContact O-CA 3.2Å; L427-S436 PolarHBondContact O-N 3.33Å |
| 428 | E | 41.1 | Very low | 39 | Very low | 75 Ų | 75 | 116.4 Ų | 116.4 | 35% | 0.35 | 62% | 0.618 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -134.4 | 124.2 | -170.3 | -157.1 | 169 | 135.9 | 0 | 0 | 113.6 | N430 Y434 R435 | E428-N430 PolarHBondContact O-N 3.09Å; E428-N430 PolarHBondContact O-ND2 2.74Å; E428-Y434 WeakPolarHBondContact CA-O 3.49Å; E428-R435 HydrophobicContact CB-CG 4.26Å; E428-R435 HydrophobicContact CG-CB 4.32Å; E428-R435 HydrophobicContact CG-CG 4.13Å; E428-R435 WeakPolarHBondContact OE2-CD 3.35Å; E428-R435 IonicContact OE2-CZ 2.78Å; E428-R435 IonicContact OE2-NE 3.71Å; E428-R435 PolarHBondContact OE2-NE 3.03Å; E428-R435 IonicContact OE2-NH2 3.79Å |
| 429 | C | 45.4 | Very low | 38.8 | Very low | 50 Ų | 50 | 119.5 Ų | 119.5 | 34% | 0.338 | 62% | 0.622 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.8 | 98.2 | 177.8 | -174.5 | 0 | 0 | 0 | 0 | 110.5 | I431 C432 G433 Y434 | C429-I431 PolarHBondContact O-N 3.23Å; C429-C432 PolarHBondContact O-N 3.14Å; C429-C432 VanDerWaalsContact SG-SG 3.63Å; C429-G433 PolarHBondContact O-N 3.35Å; C429-Y434 PolarHBondContact N-O 3.07Å |
| 430 | N | 39 | Very low | 38.7 | Very low | 125 Ų | 125 | 125.3 Ų | 125.3 | 67% | 0.668 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.2 | 0.4 | 179 | -72.9 | -79.3 | 0 | 0 | 0 | 116.5 | R424 E428 | R424-N430 PolarHBondContact O-ND2 3.15Å; R424-N430 VanDerWaalsContact O-ND2 3.16Å; E428-N430 PolarHBondContact O-N 3.09Å; E428-N430 PolarHBondContact O-ND2 2.74Å |
| 431 | I | 37.3 | Very low | 38.5 | Very low | 114 Ų | 114 | 129 Ų | 129 | 59% | 0.585 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.5 | -26.4 | 174.9 | -61.5 | 177.5 | 0 | 0 | 0 | 112.3 | C429 | C429-I431 PolarHBondContact O-N 3.23Š|
| 432 | C | 41.8 | Very low | 38.2 | Very low | 76 Ų | 76 | 125.2 Ų | 125.2 | 51% | 0.514 | 61% | 0.613 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -132.9 | -2.2 | -175.7 | 66.4 | 0 | 0 | 0 | 0 | 115.4 | C429 Y434 | C429-C432 PolarHBondContact O-N 3.14Å; C429-C432 VanDerWaalsContact SG-SG 3.63Å; C432-Y434 PolarHBondContact O-N 2.99Å |
| 433 | G | 40.2 | Very low | 38 | Very low | 50 Ų | 50 | 126.9 Ų | 126.9 | 52% | 0.515 | 61% | 0.614 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 67.7 | 11.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | C429 R435 | C429-G433 PolarHBondContact O-N 3.35Å; G433-R435 PolarHBondContact O-N 2.73Å |
| 434 | Y | 43 | Very low | 37.3 | Very low | 135 Ų | 135 | 120.8 Ų | 120.8 | 53% | 0.529 | 61% | 0.607 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -70.6 | 125.4 | 174.8 | -176.9 | -94.8 | 0 | 0 | 0 | 109.8 | E428 C429 C432 | E428-Y434 WeakPolarHBondContact CA-O 3.49Å; C429-Y434 PolarHBondContact N-O 3.07Å; C432-Y434 PolarHBondContact O-N 2.99Å |
| 435 | R | 40 | Very low | 36.8 | Very low | 145 Ų | 145 | 118.6 Ų | 118.6 | 55% | 0.547 | 61% | 0.605 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112 | 114.4 | -176.2 | -151.2 | 173.9 | -153.2 | -102.5 | -4.5 | 109.6 | L427 E428 G433 | L427-R435 CarbonylContact O-C 3.34Å; L427-R435 VanDerWaalsContact O-CA 3.25Å; L427-R435 WeakPolarHBondContact O-CA 3.2Å; E428-R435 HydrophobicContact CB-CG 4.26Å; E428-R435 HydrophobicContact CG-CB 4.32Å; E428-R435 HydrophobicContact CG-CG 4.13Å; E428-R435 WeakPolarHBondContact OE2-CD 3.35Å; E428-R435 IonicContact OE2-CZ 2.78Å; E428-R435 IonicContact OE2-NE 3.71Å; E428-R435 PolarHBondContact OE2-NE 3.03Å; E428-R435 IonicContact OE2-NH2 3.79Å; G433-R435 PolarHBondContact O-N 2.73Å |
| 436 | S | 44.1 | Very low | 36.4 | Very low | 43 Ų | 43 | 121.9 Ų | 121.9 | 30% | 0.301 | 62% | 0.62 | S | S | . | * | trans | -70.6 | 135 | 174.7 | -165.4 | 0 | 0 | 0 | 0 | 109.7 | L427 D438 | L427-S436 PolarHBondContact O-N 3.33Å; S436-D438 PolarHBondContact OG-N 3.26Å; S436-D438 PolarHBondContact OG-O 3.32Å | ||
| 437 | Q | 38.3 | Very low | 35.4 | Very low | 189 Ų | 189 | 122.3 Ų | 122.3 | 88% | 0.883 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -86.5 | -28.9 | 171 | -68.9 | -176.5 | -59.3 | 0 | 0 | 111.4 | ||
| 438 | D | 33.5 | Very low | 35.1 | Very low | 115 Ų | 115 | 131.3 Ų | 131.3 | 62% | 0.615 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -101.9 | 147.2 | -179 | -58.6 | -65.1 | 0 | 0 | 0 | 112.2 | S436 | S436-D438 PolarHBondContact OG-N 3.26Å; S436-D438 PolarHBondContact OG-O 3.32Å |
| 439 | R | 31 | Very low | 34.3 | Very low | 222 Ų | 222 | 130.6 Ų | 130.6 | 84% | 0.838 | 66% | 0.663 | S | S | * | * | trans | -84.4 | 124.7 | 176.9 | -64.1 | -173.5 | -173.6 | -160.3 | 4.1 | 110.3 | ||||
| 440 | Y | 34.5 | Very low | 33.5 | Very low | 185 Ų | 185 | 137.4 Ų | 137.4 | 73% | 0.725 | 69% | 0.69 | S | S | * | * | trans | -121.2 | 125.9 | 156.3 | -77.4 | -87.5 | 0 | 0 | 0 | 108.5 | F442 | Y440-F442 WeakPolarHBondContact O-CD2 3.46Š| ||
| 441 | E | 26.8 | Very low | 32.9 | Very low | 185 Ų | 185 | 139.4 Ų | 139.4 | 86% | 0.864 | 70% | 0.695 | S | S | * | * | trans | -80.4 | 117.7 | 170.7 | -66.9 | -171.3 | 153.3 | 0 | 0 | 108.6 | S443 | E441-S443 PolarHBondContact O-N 3.09Š| ||
| 442 | F | 28.8 | Very low | 32.4 | Very low | 122 Ų | 122 | 140 Ų | 140 | 54% | 0.535 | 70% | 0.704 | S | S | . | * | trans | -78.4 | 87.9 | -178.9 | -70 | -88.8 | 0 | 0 | 0 | 110.5 | M413 Y440 S444 | M413-F442 HydrophobicContact CE-CE1 4.11Å; M413-F442 HydrophobicContact CE-CZ 3.6Å; Y440-F442 WeakPolarHBondContact O-CD2 3.46Å; F442-S444 PolarHBondContact O-N 3.02Å | ||
| 443 | S | 25.7 | Very low | 32 | Very low | 101 Ų | 101 | 145.9 Ų | 145.9 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | trans | -66.5 | 117.1 | 164 | 55.6 | 0 | 0 | 0 | 0 | 109.1 | E441 H445 | E441-S443 PolarHBondContact O-N 3.09Å; S443-H445 PolarHBondContact O-N 3.45Å | ||
| 444 | S | 29.5 | Very low | 31.6 | Very low | 111 Ų | 111 | 155.5 Ų | 155.5 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | trans | -82.5 | 61.6 | -172.1 | 62.7 | 0 | 0 | 0 | 0 | 112.5 | F442 | F442-S444 PolarHBondContact O-N 3.02Š| ||
| 445 | H | 26.4 | Very low | 31 | Very low | 161 Ų | 161 | 156.6 Ų | 156.6 | 75% | 0.745 | 76% | 0.763 | S | S | * | * | trans | -129.5 | 114.9 | 176.3 | -69.2 | -51.5 | 0 | 0 | 0 | 111.9 | S443 | S443-H445 PolarHBondContact O-N 3.45Š| ||
| 446 | I | 30.4 | Very low | 30.5 | Very low | 171 Ų | 171 | 157.2 Ų | 157.2 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | -163.4 | 134.1 | 122 | -98.6 | 155.1 | 0 | 0 | 0 | 107.7 | |||||
| 447 | V | 26.4 | Very low | 29.8 | Very low | 131 Ų | 131 | 163.5 Ų | 163.5 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | -88.8 | 159.3 | 175 | 172.6 | 0 | 0 | 0 | 0 | 108.8 | G449 | V447-G449 PolarHBondContact O-N 3.35Å; V447-G449 VanDerWaalsContact O-N 3.17Å | ||
| 448 | R | 33.8 | Very low | 29.3 | Very low | 251 Ų | 251 | 162 Ų | 162 | 95% | 0.947 | 80% | 0.796 | S | S | * | * | trans | -28.4 | 114.8 | 173.9 | -70.5 | 178.3 | 165.9 | 116.2 | -7.2 | 113.8 | ||||
| 449 | G | 23.4 | Very low | 29 | Very low | 60 Ų | 60 | 164.9 Ų | 164.9 | 62% | 0.619 | 81% | 0.808 | S | S | * | * | trans | -124.2 | 133.9 | 160.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | V447 | V447-G449 PolarHBondContact O-N 3.35Å; V447-G449 VanDerWaalsContact O-N 3.17Å | ||
| 450 | E | 28.8 | Very low | 28.9 | Very low | 194 Ų | 194 | 161.1 Ų | 161.1 | 91% | 0.907 | 81% | 0.806 | S | S | * | * | trans | -84.8 | 115.4 | 179.9 | -63.7 | -176.7 | 137.1 | 0 | 0 | 109.8 | T452 | E450-T452 PolarHBondContact O-N 3.28Š| ||
| 451 | H | 27.9 | Very low | 28.5 | Very low | 167 Ų | 167 | 159.4 Ų | 159.4 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | trans | -93.3 | 95.5 | 173.2 | -77.7 | -79.6 | 0 | 0 | 0 | 110.4 | F453 | H451-F453 HydrophobicContact CB-CE2 4.45Å; H451-F453 PolarHBondContact O-N 3.46Å | ||
| 452 | T | 26.9 | Very low | 28.6 | Very low | 125 Ų | 125 | 157.5 Ų | 157.5 | 77% | 0.767 | 81% | 0.807 | S | S | * | * | trans | -70.8 | 110 | 161.4 | 48.1 | 0 | 0 | 0 | 0 | 109.1 | E450 | E450-T452 PolarHBondContact O-N 3.28Š| ||
| 453 | F | 32.3 | Very low | 28.6 | Very low | 201 Ų | 201 | 160.4 Ų | 160.4 | 88% | 0.882 | 83% | 0.83 | S | S | * | * | trans | -71.6 | 138.4 | 162.8 | -74.6 | -95.2 | 0 | 0 | 0 | 108.8 | H451 | H451-F453 HydrophobicContact CB-CE2 4.45Å; H451-F453 PolarHBondContact O-N 3.46Å | ||
| 454 | H | 31.8 | Very low | 28.9 | Very low | 252 Ų | 252 | 165.8 Ų | 165.8 | 100% | 1.167 | 84% | 0.841 | S | S | * | * | trans | -101.5 | 0 | -171.1 | -134.4 | -38.8 | 0 | 0 | 0 | 113.1 |
Retrieved 454 of 454 residues in 51.2 ms
(Link to these results)