| 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 | 36.8 | Very low | 40.8 | Very low | 229 Ų | 229 | 185.6 Ų | 185.6 | 100% | 1.128 | 87% | 0.872 | S | S | * | * | 0 | 118.3 | 0 | -83.6 | 171.1 | 63.1 | 0 | 0 | 109.6 | |||||
| 2 | Q | 40.4 | Very low | 39.9 | Very low | 172 Ų | 172 | 181.5 Ų | 181.5 | 80% | 0.804 | 85% | 0.853 | S | S | * | * | trans | 44 | 93.2 | 151.5 | -78.7 | 157.4 | -21 | 0 | 0 | 120.7 | ||||
| 3 | L | 41 | Very low | 39.3 | Very low | 171 Ų | 171 | 180 Ų | 180 | 90% | 0.895 | 85% | 0.845 | S | S | * | * | 20.8 | 116.2 | 119 | -67.5 | 161.3 | 0 | 0 | 0 | 117.6 | |||||
| 4 | R | 47.4 | Very low | 38.6 | Very low | 249 Ų | 249 | 172.1 Ų | 172.1 | 94% | 0.94 | 84% | 0.835 | S | S | * | * | trans | -103.3 | 109.6 | 150.2 | -94.2 | -174.1 | -176.7 | 144.8 | 2 | 110.5 | ||||
| 5 | K | 41.8 | Very low | 39.2 | Very low | 199 Ų | 199 | 168.4 Ų | 168.4 | 87% | 0.865 | 83% | 0.83 | S | S | * | * | trans | -51.1 | 138.6 | 159.5 | -72.6 | 172 | 170.1 | 175.4 | 0 | 110 | ||||
| 6 | M | 46.9 | Very low | 38.8 | Very low | 191 Ų | 191 | 165.4 Ų | 165.4 | 94% | 0.941 | 82% | 0.824 | S | S | * | * | trans | -113.8 | 131.5 | 151 | -74.7 | -141.3 | 68.6 | 0 | 0 | 108.9 | ||||
| 7 | Q | 44.1 | Very low | 38.3 | Very low | 180 Ų | 180 | 163.8 Ų | 163.8 | 84% | 0.841 | 82% | 0.819 | S | S | * | * | trans | -99.8 | 155.8 | -162.2 | -158.8 | 168.4 | 6.8 | 0 | 0 | 110.3 | ||||
| 8 | T | 35.3 | Very low | 38 | Very low | 113 Ų | 113 | 161.6 Ų | 161.6 | 69% | 0.693 | 82% | 0.815 | S | S | * | * | trans | -74.4 | 147.9 | -174.8 | 46.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 9 | L | 39 | Very low | 37.6 | Very low | 167 Ų | 167 | 158.9 Ų | 158.9 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | trans | 58.5 | 122.3 | 140.8 | -59.9 | 167.4 | 0 | 0 | 0 | 119.9 | ||||
| 10 | K | 38.8 | Very low | 37.4 | Very low | 215 Ų | 215 | 156.7 Ų | 156.7 | 94% | 0.935 | 81% | 0.813 | S | S | * | * | -156 | 142.1 | 125.4 | -145.6 | 174.7 | 176.8 | 179.8 | 0 | 113.3 | |||||
| 11 | K | 36.7 | Very low | 37.1 | Very low | 156 Ų | 156 | 154.9 Ų | 154.9 | 68% | 0.678 | 81% | 0.814 | S | S | * | * | trans | -97 | 166.1 | -175.6 | -179.2 | -173.7 | 173.7 | -169.2 | 0 | 111 | ||||
| 12 | E | 30 | Very low | 37.1 | Very low | 136 Ų | 136 | 149.9 Ų | 149.9 | 64% | 0.636 | 80% | 0.796 | S | S | * | * | trans | 129.3 | 105.9 | 152.8 | -67.5 | -61.4 | 120.1 | 0 | 0 | 111.7 | ||||
| 13 | H | 32.4 | Very low | 37 | Very low | 162 Ų | 162 | 148.5 Ų | 148.5 | 75% | 0.75 | 79% | 0.794 | S | S | * | * | 61.5 | 126.2 | 91 | -81.1 | -69.7 | 0 | 0 | 0 | 113.7 | |||||
| 14 | G | 30.3 | Very low | 37.2 | Very low | 69 Ų | 69 | 150.3 Ų | 150.3 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | cis | -175 | -161.9 | -0.5 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 15 | P | 47.5 | Very low | 36.9 | Very low | 117 Ų | 117 | 146.4 Ų | 146.4 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | cis | -137.8 | 169.6 | -2.1 | 42.7 | -24.2 | 0 | 0 | 0 | 116.1 | ||||
| 16 | V | 32.5 | Very low | 36.9 | Very low | 121 Ų | 121 | 145.5 Ų | 145.5 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | trans | 60.4 | 114 | 135.7 | 172.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 17 | D | 29.6 | Very low | 36.7 | Very low | 138 Ų | 138 | 142.9 Ų | 142.9 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | -153.2 | 132.7 | 83.5 | -89.6 | -44.9 | 0 | 0 | 0 | 115.4 | |||||
| 18 | T | 33.4 | Very low | 36.4 | Very low | 123 Ų | 123 | 142 Ų | 142 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | 33.1 | 135.6 | 138.4 | 63.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 19 | S | 31.1 | Very low | 36.2 | Very low | 112 Ų | 112 | 146.2 Ų | 146.2 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | cis | -172.4 | 152.5 | 32.4 | 51.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 20 | S | 33.8 | Very low | 36 | Very low | 114 Ų | 114 | 143.9 Ų | 143.9 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | 77.8 | 95.9 | 146.8 | -175.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 21 | S | 31.2 | Very low | 35.8 | Very low | 119 Ų | 119 | 140.5 Ų | 140.5 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | -179.2 | 101.7 | 119.1 | -170.4 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 22 | V | 36.3 | Very low | 35.8 | Very low | 123 Ų | 123 | 141.7 Ų | 141.7 | 75% | 0.745 | 80% | 0.803 | S | S | * | * | trans | -95.1 | 154.4 | -178 | -141.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 23 | D | 37.8 | Very low | 35.9 | Very low | 143 Ų | 143 | 139.7 Ų | 139.7 | 77% | 0.765 | 80% | 0.804 | S | S | * | * | trans | 94.1 | 66.7 | 158.9 | -49 | -27.1 | 0 | 0 | 0 | 119.7 | ||||
| 24 | K | 44.8 | Very low | 35.8 | Very low | 209 Ų | 209 | 140 Ų | 140 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -152.1 | 19.8 | 149.7 | -70.7 | -158.6 | -178.5 | 174.6 | 0 | 117 | ||
| 25 | I | 42.1 | Very low | 36.1 | Very low | 168 Ų | 168 | 143.6 Ų | 143.6 | 86% | 0.862 | 81% | 0.814 | S | S | * | * | trans | -137 | 67.8 | -178.6 | -48.8 | 175.3 | 0 | 0 | 0 | 111.2 | ||||
| 26 | M | 40.9 | Very low | 35.4 | Very low | 180 Ų | 180 | 142.6 Ų | 142.6 | 89% | 0.887 | 81% | 0.81 | S | S | * | * | trans | -142.7 | 153.8 | 157.4 | -84.3 | -171.8 | 64.8 | 0 | 0 | 107.5 | ||||
| 27 | V | 42.5 | Very low | 35.6 | Very low | 136 Ų | 136 | 144.8 Ų | 144.8 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | trans | 98.9 | 124.1 | -175.7 | -168.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 28 | L | 37.5 | Very low | 35.8 | Very low | 162 Ų | 162 | 145.3 Ų | 145.3 | 85% | 0.848 | 82% | 0.815 | S | S | * | * | trans | 97.3 | 49.3 | -178 | -48.7 | -175.4 | 0 | 0 | 0 | 117.2 | ||||
| 29 | K | 32.9 | Very low | 36 | Very low | 201 Ų | 201 | 147.8 Ų | 147.8 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | trans | -143.6 | 107.9 | 142.5 | -75.1 | -169.6 | 178.6 | 179.1 | 0 | 109.2 | ||||
| 30 | S | 33.4 | Very low | 36.1 | Very low | 118 Ų | 118 | 146.4 Ų | 146.4 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | 165.1 | 88.8 | 145.2 | -76.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 31 | T | 34.5 | Very low | 36 | Very low | 143 Ų | 143 | 146.1 Ų | 146.1 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | trans | -156.1 | 76.7 | 149.5 | 44.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 32 | L | 36.5 | Very low | 36.1 | Very low | 181 Ų | 181 | 146.5 Ų | 146.5 | 95% | 0.948 | 80% | 0.799 | S | S | * | * | trans | -163 | 87.7 | 157.9 | -128.3 | 154.2 | 0 | 0 | 0 | 110.5 | ||||
| 33 | S | 32 | Very low | 36.2 | Very low | 95 Ų | 95 | 148.9 Ų | 148.9 | 66% | 0.664 | 80% | 0.802 | S | S | * | * | trans | -148.7 | 140.3 | 157.7 | 132.7 | 0 | 0 | 0 | 0 | 102.7 | ||||
| 34 | E | 31.5 | Very low | 36.4 | Very low | 169 Ų | 169 | 149.2 Ų | 149.2 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | cis | -172.7 | 131.6 | 3.7 | -105.8 | 162.8 | 129.3 | 0 | 0 | 103.8 | ||||
| 35 | V | 36.7 | Very low | 36.2 | Very low | 144 Ų | 144 | 146.7 Ų | 146.7 | 87% | 0.873 | 80% | 0.798 | S | S | * | * | trans | -160.1 | 93.1 | 150.8 | -170.6 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 36 | S | 33.3 | Very low | 36 | Very low | 96 Ų | 96 | 146.1 Ų | 146.1 | 67% | 0.671 | 80% | 0.797 | S | S | * | * | 49.6 | 128.7 | 82 | -162.3 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 37 | E | 35.4 | Very low | 36.1 | Very low | 167 Ų | 167 | 145 Ų | 145 | 78% | 0.78 | 79% | 0.793 | S | S | * | * | cis | -165 | 155.6 | -4.2 | -111.1 | -176.6 | -162.2 | 0 | 0 | 106.2 | ||||
| 38 | D | 34.9 | Very low | 35.6 | Very low | 149 Ų | 149 | 144.1 Ų | 144.1 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | 32.4 | 120.7 | 151.5 | -75.6 | -11.6 | 0 | 0 | 0 | 122.7 | ||||
| 39 | L | 36.4 | Very low | 35.6 | Very low | 174 Ų | 174 | 145 Ų | 145 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | -153 | 128.4 | 117.2 | -159.4 | 63.5 | 0 | 0 | 0 | 111.4 | |||||
| 40 | S | 34 | Very low | 35.9 | Very low | 84 Ų | 84 | 140 Ų | 140 | 59% | 0.587 | 78% | 0.784 | S | S | * | * | trans | -77.8 | 168.7 | 175.8 | 61.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 41 | T | 32.3 | Very low | 36.1 | Very low | 108 Ų | 108 | 139.9 Ų | 139.9 | 66% | 0.663 | 78% | 0.784 | S | S | * | * | trans | 82.1 | 129.8 | 151.5 | 58.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 42 | N | 32.1 | Very low | 36.4 | Very low | 127 Ų | 127 | 138.9 Ų | 138.9 | 68% | 0.679 | 78% | 0.783 | S | S | * | * | trans | 77.9 | 125.8 | 161.5 | -37.7 | -47.7 | 0 | 0 | 0 | 112.6 | ||||
| 43 | E | 38.1 | Very low | 36.5 | Very low | 172 Ų | 172 | 133.2 Ų | 133.2 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | -158.6 | 128.9 | 57.4 | -45.9 | -66.5 | 154.7 | 0 | 0 | 109.4 | |||||
| 44 | D | 42.4 | Very low | 37.4 | Very low | 151 Ų | 151 | 139.2 Ų | 139.2 | 81% | 0.807 | 78% | 0.782 | S | S | * | * | trans | -80.4 | 158.2 | 150.2 | -90.1 | -47.6 | 0 | 0 | 0 | 108.2 | ||||
| 45 | I | 41.5 | Very low | 38 | Very low | 155 Ų | 155 | 135.6 Ų | 135.6 | 80% | 0.795 | 78% | 0.775 | S | S | * | * | trans | 92.6 | 104.2 | 166.6 | -49.7 | 158 | 0 | 0 | 0 | 115.1 | ||||
| 46 | L | 36.6 | Very low | 39 | Very low | 157 Ų | 157 | 138.8 Ų | 138.8 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | 175.2 | 118 | 101.7 | -153.4 | 104 | 0 | 0 | 0 | 109.8 | |||||
| 47 | L | 43.2 | Very low | 39.9 | Very low | 155 Ų | 155 | 138.5 Ų | 138.5 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | trans | -67.7 | 150.4 | 158.8 | -67.3 | 162.9 | 0 | 0 | 0 | 108.5 | ||||
| 48 | T | 33.3 | Very low | 40.9 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 73% | 0.73 | 77% | 0.772 | S | S | * | * | 158 | 110.2 | 125.8 | -59.1 | 0 | 0 | 0 | 0 | 112 | |||||
| 49 | E | 35.8 | Very low | 42.1 | Very low | 179 Ų | 179 | 133.5 Ų | 133.5 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | trans | 71.9 | 133.4 | 140.9 | -67.3 | -164.9 | 144.8 | 0 | 0 | 126.5 | ||||
| 50 | A | 40.8 | Very low | 43.4 | Very low | 96 Ų | 96 | 130.1 Ų | 130.1 | 79% | 0.793 | 77% | 0.767 | S | S | * | * | trans | 70 | 93.8 | 137.3 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 51 | S | 36.3 | Very low | 45.1 | Very low | 117 Ų | 117 | 137.2 Ų | 137.2 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -138.4 | 117.3 | 139 | -170.7 | 0 | 0 | 0 | 0 | 111.2 | G53 | S51-G53 PolarHBondContact O-N 3.1Š| ||
| 52 | S | 41.4 | Very low | 47.4 | Very low | 122 Ų | 122 | 143.4 Ų | 143.4 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | -59.1 | 110.7 | 169.3 | 48.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 53 | G | 37.7 | Very low | 49.6 | Very low | 61 Ų | 61 | 146 Ų | 146 | 63% | 0.629 | 80% | 0.797 | S | S | * | * | trans | -129.9 | 99 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | S51 S55 | S51-G53 PolarHBondContact O-N 3.1Å; G53-S55 PolarHBondContact O-N 3.47Å | ||
| 54 | K | 51.3 | Low | 52 | Low | 221 Ų | 221 | 149.4 Ų | 149.4 | 96% | 0.961 | 80% | 0.803 | S | S | * | * | trans | -65.8 | 74.6 | 162.3 | -79.7 | 171.7 | 175.8 | 164.5 | 0 | 108.7 | K56 | K54-K56 PolarHBondContact O-N 3.38Š| ||
| 55 | S | 45.7 | Very low | 54.1 | Low | 93 Ų | 93 | 150.8 Ų | 150.8 | 65% | 0.65 | 80% | 0.804 | S | S | * | * | trans | -82.8 | 106.1 | 164 | 60.4 | 0 | 0 | 0 | 0 | 107.6 | G53 S57 | G53-S55 PolarHBondContact O-N 3.47Å; S55-S57 PolarHBondContact O-N 3.36Å | ||
| 56 | K | 56.3 | Low | 56 | Low | 212 Ų | 212 | 151.1 Ų | 151.1 | 92% | 0.922 | 80% | 0.8 | S | S | * | * | trans | -61.7 | 75.1 | 156 | -70.4 | 174.9 | -179.2 | 161.5 | 0 | 107.3 | K54 S58 | K54-K56 PolarHBondContact O-N 3.38Å; K56-S58 PolarHBondContact O-N 3.13Å; K56-S58 VanDerWaalsContact O-N 3.16Å | ||
| 57 | S | 53 | Low | 58.3 | Low | 89 Ų | 89 | 147.1 Ų | 147.1 | 62% | 0.622 | 78% | 0.779 | S | S | * | * | trans | -74.6 | 109.2 | 174.6 | 62.7 | 0 | 0 | 0 | 0 | 106.8 | S55 A59 | S55-S57 PolarHBondContact O-N 3.36Å; S57-A59 PolarHBondContact O-N 3.44Å | ||
| 58 | S | 56.2 | Low | 60.6 | Low | 102 Ų | 102 | 142.8 Ų | 142.8 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | trans | -13.2 | 128.3 | 152.7 | 53.2 | 0 | 0 | 0 | 0 | 112.3 | K56 C60 | K56-S58 PolarHBondContact O-N 3.13Å; K56-S58 VanDerWaalsContact O-N 3.16Å; S58-C60 PolarHBondContact O-N 3.24Å | ||
| 59 | A | 60.5 | Low | 63 | Low | 110 Ų | 110 | 142.6 Ų | 142.6 | 91% | 0.909 | 75% | 0.754 | S | S | * | * | trans | -48.2 | 75.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114 | S57 R61 | S57-A59 PolarHBondContact O-N 3.44Å; A59-R61 PolarHBondContact O-N 3.5Å | ||
| 60 | C | 62.5 | Low | 65.6 | Low | 103 Ų | 103 | 142 Ų | 142 | 70% | 0.696 | 75% | 0.752 | S | S | * | * | trans | -80.7 | 110.3 | 166.5 | -169.7 | 0 | 0 | 0 | 0 | 104.4 | S58 R62 | S58-C60 PolarHBondContact O-N 3.24Å; C60-R62 PolarHBondContact O-N 3.48Å | ||
| 61 | R | 70.7 | Confident | 67.8 | Low | 232 Ų | 232 | 144.6 Ų | 144.6 | 88% | 0.875 | 75% | 0.745 | S | S | * | * | trans | -51.2 | 119.6 | 177.6 | -66.1 | -177.3 | -176.4 | -161.5 | 2 | 107.3 | A59 K63 | A59-R61 PolarHBondContact O-N 3.5Å; R61-K63 PolarHBondContact O-N 3.32Å; R61-K63 VanDerWaalsContact O-N 3.1Å | ||
| 62 | R | 80.2 | Confident | 70.6 | Confident | 238 Ų | 238 | 141 Ų | 141 | 90% | 0.898 | 71% | 0.714 | S | S | * | * | trans | -44.8 | 123.6 | 176 | -76.1 | -175 | -72 | 119 | -4.4 | 108.2 | C60 R64 | C60-R62 PolarHBondContact O-N 3.48Å; R62-R64 PolarHBondContact O-N 3.28Å | ||
| 63 | K | 78.3 | Confident | 73.1 | Confident | 183 Ų | 183 | 138.9 Ų | 138.9 | 80% | 0.796 | 69% | 0.694 | S | S | * | * | trans | -54.4 | 129.9 | 176.8 | -71.9 | -75 | -175.6 | 171.5 | 0 | 107.1 | R61 E65 | R61-K63 PolarHBondContact O-N 3.32Å; R61-K63 VanDerWaalsContact O-N 3.1Å; K63-E65 PolarHBondContact O-N 3.22Å; K63-E65 VanDerWaalsContact O-N 3.11Å | ||
| 64 | R | 88.3 | Confident | 75.9 | Confident | 243 Ų | 243 | 139.9 Ų | 139.9 | 92% | 0.917 | 70% | 0.696 | S | S | * | * | trans | -77.6 | 102.1 | -175.5 | -157.1 | 173.2 | -174.9 | -168.4 | 0.5 | 106.7 | R62 F66 | R62-R64 PolarHBondContact O-N 3.28Å; R64-F66 PolarHBondContact O-N 3.43Å | ||
| 65 | E | 85.8 | Confident | 78 | Confident | 180 Ų | 180 | 134.5 Ų | 134.5 | 84% | 0.841 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 126.7 | 174.3 | -68.3 | 175.9 | -165.1 | 0 | 0 | 108.8 | K63 | K63-E65 PolarHBondContact O-N 3.22Å; K63-E65 VanDerWaalsContact O-N 3.11Å |
| 66 | F | 82.8 | Confident | 80.3 | Confident | 162 Ų | 162 | 131.9 Ų | 131.9 | 71% | 0.711 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 138.2 | 172.3 | -136 | -92.2 | 0 | 0 | 0 | 108.1 | R64 P68 | R64-F66 PolarHBondContact O-N 3.43Å; F66-P68 VanDerWaalsContact O-CD 3.29Å; F66-P68 WeakPolarHBondContact O-CD 3.41Å |
| 67 | I | 84.8 | Confident | 82.2 | Confident | 72 Ų | 72 | 128.3 Ų | 128.3 | 37% | 0.369 | 63% | 0.633 | S | S | . | * | P | Polyproline II helix | trans | -68 | 121.3 | 172.7 | -68.7 | 163 | 0 | 0 | 0 | 106.9 | K71 K72 Y76 | I67-K71 HydrophobicContact CG2-CB 3.81Å; I67-K72 HydrophobicContact CG2-CG 4.07Å; I67-K72 VanDerWaalsContact O-CE 3.25Å; I67-K72 WeakPolarHBondContact O-CE 3.48Å; I67-Y76 HydrophobicContact CB-CE2 4.5Å; I67-Y76 HydrophobicContact CD1-CD2 3.49Å; I67-Y76 VanDerWaalsContact CD1-CD2 3.49Å; I67-Y76 HydrophobicContact CD1-CE2 3.47Å; I67-Y76 VanDerWaalsContact CD1-CE2 3.47Å |
| 68 | P | 91.1 | Very high | 84.3 | Confident | 64 Ų | 64 | 127.3 Ų | 127.3 | 42% | 0.416 | 62% | 0.618 | S | S | . | * | P | Polyproline II helix | trans | -54 | 148.5 | 175.7 | -25.3 | 34.6 | 0 | 0 | 0 | 111.2 | F66 E70 K71 | F66-P68 VanDerWaalsContact O-CD 3.29Å; F66-P68 WeakPolarHBondContact O-CD 3.41Å; P68-E70 VanDerWaalsContact CB-OE2 3.29Å; P68-E70 WeakPolarHBondContact CB-OE2 3.43Å; P68-E70 PolarHBondContact O-N 3.16Å; P68-K71 PolarHBondContact O-N 3.26Å |
| 69 | D | 84.2 | Confident | 86.2 | Confident | 115 Ų | 115 | 128.5 Ų | 128.5 | 62% | 0.615 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -60.4 | -31.6 | -173.4 | -75.7 | -27.8 | 0 | 0 | 0 | 112.3 | K71 K72 | D69-K71 PolarHBondContact O-N 3.41Å; D69-K72 PolarHBondContact O-N 3.12Å; D69-K72 WeakPolarHBondContact OD1-CE 3.31Å; D69-K72 IonicContact OD1-NZ 2.59Å; D69-K72 PolarHBondContact OD1-NZ 3.41Å |
| 70 | E | 89.7 | Confident | 88 | Confident | 168 Ų | 168 | 127.8 Ų | 127.8 | 79% | 0.785 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -66.5 | -20.5 | 178.1 | -54.7 | 74 | -157.3 | 0 | 0 | 112.7 | P68 | P68-E70 VanDerWaalsContact CB-OE2 3.29Å; P68-E70 WeakPolarHBondContact CB-OE2 3.43Å; P68-E70 PolarHBondContact O-N 3.16Å |
| 71 | K | 87.7 | Confident | 89.7 | Confident | 150 Ų | 150 | 129.6 Ų | 129.6 | 65% | 0.652 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -104.1 | 4.6 | -179.1 | -63.7 | -176.4 | -177.7 | 177.2 | 0 | 113.1 | I67 P68 D69 D73 | I67-K71 HydrophobicContact CG2-CB 3.81Å; P68-K71 PolarHBondContact O-N 3.26Å; D69-K71 PolarHBondContact O-N 3.41Å; K71-D73 VanDerWaalsContact C-N 3.3Å; K71-D73 PolarHBondContact O-N 3.38Å |
| 72 | K | 93.8 | Very high | 91 | Very high | 40 Ų | 40 | 124.6 Ų | 124.6 | 17% | 0.174 | 56% | 0.561 | C | S | . | * | trans | -81.2 | 78.7 | 176 | -66.5 | -178.2 | -177 | 168.1 | 0 | 110.3 | I67 D69 Y76 W77 | I67-K72 HydrophobicContact CG2-CG 4.07Å; I67-K72 VanDerWaalsContact O-CE 3.25Å; I67-K72 WeakPolarHBondContact O-CE 3.48Å; D69-K72 PolarHBondContact O-N 3.12Å; D69-K72 WeakPolarHBondContact OD1-CE 3.31Å; D69-K72 IonicContact OD1-NZ 2.59Å; D69-K72 PolarHBondContact OD1-NZ 3.41Å; K72-Y76 HydrophobicContact CB-CD1 3.7Å; K72-Y76 HydrophobicContact CB-CE1 4.09Å; K72-Y76 HydrophobicContact CB-CG 4.49Å; K72-Y76 HydrophobicContact CD-CD1 4.22Å; K72-Y76 HydrophobicContact CD-CE1 3.72Å; K72-Y76 HydrophobicContact CG-CD1 3.68Å; K72-Y76 HydrophobicContact CG-CE1 3.62Å; K72-Y76 HydrophobicContact CG-CG 4.45Å; K72-W77 HydrophobicContact CB-CZ2 4.22Å; K72-W77 HydrophobicContact CD-CH2 4.28Å; K72-W77 HydrophobicContact CD-CZ2 3.8Å; K72-W77 PolarHBondContact O-NE1 3.29Å | ||
| 73 | D | 95.3 | Very high | 91.9 | Very high | 78 Ų | 78 | 117.8 Ų | 117.8 | 42% | 0.417 | 54% | 0.543 | S | S | . | . | trans | -73.3 | 172.9 | 175.9 | 67.5 | -9.4 | 0 | 0 | 0 | 113.1 | K71 M75 Y76 W77 | K71-D73 VanDerWaalsContact C-N 3.3Å; K71-D73 PolarHBondContact O-N 3.38Å; D73-M75 PolarHBondContact O-N 3.17Å; D73-Y76 WeakPolarHBondContact O-CB 3.5Å; D73-Y76 PolarHBondContact O-N 3.18Å; D73-Y76 VanDerWaalsContact O-N 3.16Å; D73-Y76 WeakPolarHBondContact OD1-CA 3.47Å; D73-Y76 WeakPolarHBondContact OD1-CB 3.49Å; D73-Y76 PolarHBondContact OD1-N 3.37Å; D73-W77 PolarHBondContact O-N 3.41Å; D73-W77 VanDerWaalsContact O-N 3.17Å | ||
| 74 | A | 95.1 | Very high | 92.8 | Very high | 83 Ų | 83 | 112.9 Ų | 112.9 | 69% | 0.686 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -58.4 | -36.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | W77 E78 | A74-W77 PolarHBondContact O-N 3.06Å; A74-E78 WeakPolarHBondContact O-CB 3.47Å; A74-E78 PolarHBondContact O-N 3.14Å |
| 75 | M | 95.3 | Very high | 93.3 | Very high | 107 Ų | 107 | 106.5 Ų | 106.5 | 53% | 0.527 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.7 | -39 | 177.6 | -173 | -172.6 | 49.8 | 0 | 0 | 111.8 | D73 E78 K79 | D73-M75 PolarHBondContact O-N 3.17Å; M75-E78 PolarHBondContact O-N 3.14Å; M75-K79 HydrophobicContact CG-CD 4.38Å; M75-K79 WeakPolarHBondContact O-CB 3.32Å; M75-K79 WeakPolarHBondContact O-CG 3.46Å; M75-K79 PolarHBondContact O-N 3.23Å; M75-K79 PolarHBondContact SD-NZ 2.87Å |
| 76 | Y | 95.1 | Very high | 93.9 | Very high | 38 Ų | 38 | 100.7 Ų | 100.7 | 15% | 0.149 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -60.3 | -47.8 | 173.2 | 169 | -98.9 | 0 | 0 | 0 | 111.2 | I67 K72 D73 E78 K79 R80 | I67-Y76 HydrophobicContact CB-CE2 4.5Å; I67-Y76 HydrophobicContact CD1-CD2 3.49Å; I67-Y76 VanDerWaalsContact CD1-CD2 3.49Å; I67-Y76 HydrophobicContact CD1-CE2 3.47Å; I67-Y76 VanDerWaalsContact CD1-CE2 3.47Å; K72-Y76 HydrophobicContact CB-CD1 3.7Å; K72-Y76 HydrophobicContact CB-CE1 4.09Å; K72-Y76 HydrophobicContact CB-CG 4.49Å; K72-Y76 HydrophobicContact CD-CD1 4.22Å; K72-Y76 HydrophobicContact CD-CE1 3.72Å; K72-Y76 HydrophobicContact CG-CD1 3.68Å; K72-Y76 HydrophobicContact CG-CE1 3.62Å; K72-Y76 HydrophobicContact CG-CG 4.45Å; D73-Y76 WeakPolarHBondContact O-CB 3.5Å; D73-Y76 PolarHBondContact O-N 3.18Å; D73-Y76 VanDerWaalsContact O-N 3.16Å; D73-Y76 WeakPolarHBondContact OD1-CA 3.47Å; D73-Y76 WeakPolarHBondContact OD1-CB 3.49Å; D73-Y76 PolarHBondContact OD1-N 3.37Å; Y76-E78 PolarHBondContact O-N 3.44Å; Y76-K79 PolarHBondContact O-N 3.47Å; Y76-R80 WeakPolarHBondContact O-CB 3.11Å; Y76-R80 PolarHBondContact O-N 3.25Å |
| 77 | W | 95.8 | Very high | 94.7 | Very high | 137 Ų | 137 | 94.7 Ų | 94.7 | 52% | 0.519 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.7 | -39.6 | 179.3 | -71.3 | 114.3 | 0 | 0 | 0 | 112.7 | K72 D73 A74 R80 R81 | K72-W77 HydrophobicContact CB-CZ2 4.22Å; K72-W77 HydrophobicContact CD-CH2 4.28Å; K72-W77 HydrophobicContact CD-CZ2 3.8Å; K72-W77 PolarHBondContact O-NE1 3.29Å; D73-W77 PolarHBondContact O-N 3.41Å; D73-W77 VanDerWaalsContact O-N 3.17Å; A74-W77 PolarHBondContact O-N 3.06Å; W77-R80 PolarHBondContact O-N 3.31Å; W77-R81 WeakPolarHBondContact O-CB 3.32Å; W77-R81 PolarHBondContact O-N 3.41Å |
| 78 | E | 97.4 | Very high | 95.3 | Very high | 69 Ų | 69 | 99 Ų | 99 | 32% | 0.322 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.4 | -48.6 | 172.8 | -171.3 | 67.2 | -141.6 | 0 | 0 | 111.3 | A74 M75 Y76 R80 R81 K82 | A74-E78 WeakPolarHBondContact O-CB 3.47Å; A74-E78 PolarHBondContact O-N 3.14Å; M75-E78 PolarHBondContact O-N 3.14Å; Y76-E78 PolarHBondContact O-N 3.44Å; E78-R80 VanDerWaalsContact C-N 3.35Å; E78-R80 PolarHBondContact O-N 2.76Å; E78-R81 PolarHBondContact O-N 3.45Å; E78-R81 IonicContact OE1-CZ 3.16Å; E78-R81 IonicContact OE1-NH1 2.8Å; E78-R81 PolarHBondContact OE1-NH1 3.03Å; E78-R81 IonicContact OE2-CZ 3.73Å; E78-R81 IonicContact OE2-NH1 2.73Å; E78-R81 PolarHBondContact OE2-NH1 3.35Å; E78-R81 IonicContact OE2-NH2 3.93Å; E78-R81 PolarHBondContact OE2-NH2 3.49Å; E78-K82 WeakPolarHBondContact O-CG 3.37Å; E78-K82 PolarHBondContact O-N 3.15Å; E78-K82 VanDerWaalsContact OE1-CE 3.25Å; E78-K82 WeakPolarHBondContact OE1-CE 3.47Å; E78-K82 IonicContact OE1-NZ 3.06Å |
| 79 | K | 96.8 | Very high | 95.7 | Very high | 126 Ų | 126 | 104 Ų | 104 | 55% | 0.548 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.5 | -41.4 | 175.7 | -74.3 | 173.5 | -179.2 | 171.7 | 0 | 111.8 | M75 Y76 K82 N83 | M75-K79 HydrophobicContact CG-CD 4.38Å; M75-K79 WeakPolarHBondContact O-CB 3.32Å; M75-K79 WeakPolarHBondContact O-CG 3.46Å; M75-K79 PolarHBondContact O-N 3.23Å; M75-K79 PolarHBondContact SD-NZ 2.87Å; Y76-K79 PolarHBondContact O-N 3.47Å; K79-K82 PolarHBondContact O-N 3.38Å; K79-N83 WeakPolarHBondContact O-CB 3.46Å; K79-N83 PolarHBondContact O-N 3.42Å |
| 80 | R | 97.5 | Very high | 96.4 | Very high | 96 Ų | 96 | 101.7 Ų | 101.7 | 36% | 0.362 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.4 | -42.6 | 178.9 | -170.4 | 72.4 | -175 | 90.3 | 8 | 111.2 | Y76 W77 E78 N83 N84 | Y76-R80 WeakPolarHBondContact O-CB 3.11Å; Y76-R80 PolarHBondContact O-N 3.25Å; W77-R80 PolarHBondContact O-N 3.31Å; E78-R80 VanDerWaalsContact C-N 3.35Å; E78-R80 PolarHBondContact O-N 2.76Å; R80-N83 PolarHBondContact O-N 3.36Å; R80-N84 PolarHBondContact NH1-OD1 3.05Å; R80-N84 PolarHBondContact O-N 3.12Å |
| 81 | R | 98.4 | Very high | 96.8 | Very high | 141 Ų | 141 | 101.4 Ų | 101.4 | 53% | 0.532 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.7 | -51.3 | 175.4 | -159.3 | -165.7 | -44.1 | 128.5 | 10.5 | 110.9 | W77 E78 N83 N84 E85 | W77-R81 WeakPolarHBondContact O-CB 3.32Å; W77-R81 PolarHBondContact O-N 3.41Å; E78-R81 PolarHBondContact O-N 3.45Å; E78-R81 IonicContact OE1-CZ 3.16Å; E78-R81 IonicContact OE1-NH1 2.8Å; E78-R81 PolarHBondContact OE1-NH1 3.03Å; E78-R81 IonicContact OE2-CZ 3.73Å; E78-R81 IonicContact OE2-NH1 2.73Å; E78-R81 PolarHBondContact OE2-NH1 3.35Å; E78-R81 IonicContact OE2-NH2 3.93Å; E78-R81 PolarHBondContact OE2-NH2 3.49Å; R81-N83 PolarHBondContact O-N 2.84Å; R81-N84 PolarHBondContact O-N 3Å; R81-E85 PolarHBondContact O-N 3.41Å |
| 82 | K | 98.4 | Very high | 97.3 | Very high | 127 Ų | 127 | 98.9 Ų | 98.9 | 55% | 0.552 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -59.6 | -41.3 | 177.5 | -72.8 | 177.6 | 179.8 | 173.7 | 0 | 112.8 | E78 K79 E85 A86 | E78-K82 WeakPolarHBondContact O-CG 3.37Å; E78-K82 PolarHBondContact O-N 3.15Å; E78-K82 VanDerWaalsContact OE1-CE 3.25Å; E78-K82 WeakPolarHBondContact OE1-CE 3.47Å; E78-K82 IonicContact OE1-NZ 3.06Å; K79-K82 PolarHBondContact O-N 3.38Å; K82-E85 PolarHBondContact O-N 2.94Å; K82-A86 WeakPolarHBondContact O-CB 3.43Å; K82-A86 PolarHBondContact O-N 3.31Å |
| 83 | N | 98.3 | Very high | 97.5 | Very high | 94 Ų | 94 | 104.9 Ų | 104.9 | 50% | 0.503 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.1 | -40.1 | 176.7 | -179.3 | -105.1 | 0 | 0 | 0 | 112.5 | K79 R80 R81 A86 A87 | K79-N83 WeakPolarHBondContact O-CB 3.46Å; K79-N83 PolarHBondContact O-N 3.42Å; R80-N83 PolarHBondContact O-N 3.36Å; R81-N83 PolarHBondContact O-N 2.84Å; N83-A86 PolarHBondContact O-N 3.23Å; N83-A87 VanDerWaalsContact O-CB 3.28Å; N83-A87 WeakPolarHBondContact O-CB 3.48Å; N83-A87 PolarHBondContact O-N 2.94Å |
| 84 | N | 98.4 | Very high | 97.7 | Very high | 80 Ų | 80 | 108.5 Ų | 108.5 | 43% | 0.428 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.1 | -42.6 | 174.9 | -79.2 | -21.7 | 0 | 0 | 0 | 111.7 | R80 R81 A87 K88 | R80-N84 PolarHBondContact NH1-OD1 3.05Å; R80-N84 PolarHBondContact O-N 3.12Å; R81-N84 PolarHBondContact O-N 3Å; N84-A87 PolarHBondContact O-N 3.37Å; N84-K88 WeakPolarHBondContact O-CB 3.45Å; N84-K88 PolarHBondContact O-N 3.32Å |
| 85 | E | 98.6 | Very high | 97.8 | Very high | 109 Ų | 109 | 112 Ų | 112 | 51% | 0.509 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.6 | -46.8 | 176.2 | -166.1 | -166 | 149.9 | 0 | 0 | 111.4 | R81 K82 A87 K88 R89 | R81-E85 PolarHBondContact O-N 3.41Å; K82-E85 PolarHBondContact O-N 2.94Å; E85-A87 VanDerWaalsContact C-N 3.3Å; E85-A87 PolarHBondContact O-N 3.27Å; E85-K88 PolarHBondContact O-N 3.02Å; E85-R89 WeakPolarHBondContact O-CB 3.43Å; E85-R89 PolarHBondContact O-N 3.15Å; E85-R89 IonicContact OE1-NH1 2.87Å; E85-R89 PolarHBondContact OE1-NH1 3.23Å |
| 86 | A | 98.3 | Very high | 98 | Very high | 58 Ų | 58 | 111.8 Ų | 111.8 | 48% | 0.479 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.1 | -40.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | K82 N83 S90 | K82-A86 WeakPolarHBondContact O-CB 3.43Å; K82-A86 PolarHBondContact O-N 3.31Å; N83-A86 PolarHBondContact O-N 3.23Å; A86-S90 VanDerWaalsContact O-CB 3.23Å; A86-S90 WeakPolarHBondContact O-CB 3.34Å; A86-S90 PolarHBondContact O-N 2.88Å |
| 87 | A | 98.5 | Very high | 98.1 | Very high | 36 Ų | 36 | 114.1 Ų | 114.1 | 30% | 0.298 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.9 | -41.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | N83 N84 E85 S90 R91 | N83-A87 VanDerWaalsContact O-CB 3.28Å; N83-A87 WeakPolarHBondContact O-CB 3.48Å; N83-A87 PolarHBondContact O-N 2.94Å; N84-A87 PolarHBondContact O-N 3.37Å; E85-A87 VanDerWaalsContact C-N 3.3Å; E85-A87 PolarHBondContact O-N 3.27Å; A87-S90 PolarHBondContact O-N 2.97Å; A87-R91 WeakPolarHBondContact O-CB 3.3Å; A87-R91 VanDerWaalsContact O-CG 3.3Å; A87-R91 WeakPolarHBondContact O-CG 2.97Å; A87-R91 PolarHBondContact O-N 2.97Å |
| 88 | K | 98.5 | Very high | 98.2 | Very high | 164 Ų | 164 | 111.6 Ų | 111.6 | 71% | 0.713 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.1 | -52.1 | 174.5 | -174.7 | 179.1 | 179.8 | -179.3 | 0 | 110.3 | N84 E85 S90 R91 E92 | N84-K88 WeakPolarHBondContact O-CB 3.45Å; N84-K88 PolarHBondContact O-N 3.32Å; E85-K88 PolarHBondContact O-N 3.02Å; K88-S90 VanDerWaalsContact C-N 3.32Å; K88-S90 PolarHBondContact O-N 3.1Å; K88-R91 PolarHBondContact O-N 3.11Å; K88-E92 PolarHBondContact O-N 3.3Å |
| 89 | R | 98.4 | Very high | 98.1 | Very high | 167 Ų | 167 | 111.7 Ų | 111.7 | 63% | 0.63 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.8 | -39.7 | 178.8 | -159.9 | -175.7 | -123.4 | 101.9 | -3.8 | 112 | E85 E92 K93 | E85-R89 WeakPolarHBondContact O-CB 3.43Å; E85-R89 PolarHBondContact O-N 3.15Å; E85-R89 IonicContact OE1-NH1 2.87Å; E85-R89 PolarHBondContact OE1-NH1 3.23Å; R89-E92 PolarHBondContact O-N 3.39Å; R89-K93 WeakPolarHBondContact O-CB 3.36Å; R89-K93 PolarHBondContact O-N 3.44Å |
| 90 | S | 98.7 | Very high | 98.2 | Very high | 67 Ų | 67 | 109.4 Ų | 109.4 | 47% | 0.469 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.1 | -39.5 | 176.7 | 178.5 | 0 | 0 | 0 | 0 | 112.7 | A86 A87 K88 R94 | A86-S90 VanDerWaalsContact O-CB 3.23Å; A86-S90 WeakPolarHBondContact O-CB 3.34Å; A86-S90 PolarHBondContact O-N 2.88Å; A87-S90 PolarHBondContact O-N 2.97Å; K88-S90 VanDerWaalsContact C-N 3.32Å; K88-S90 PolarHBondContact O-N 3.1Å; S90-R94 PolarHBondContact O-N 3.06Å |
| 91 | R | 98.8 | Very high | 98.1 | Very high | 162 Ų | 162 | 109.5 Ų | 109.5 | 61% | 0.611 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.8 | -43.5 | 176.3 | -74.6 | 173.7 | 179.2 | -171.7 | -1.4 | 110.7 | A87 K88 R94 R95 | A87-R91 WeakPolarHBondContact O-CB 3.3Å; A87-R91 VanDerWaalsContact O-CG 3.3Å; A87-R91 WeakPolarHBondContact O-CG 2.97Å; A87-R91 PolarHBondContact O-N 2.97Å; K88-R91 PolarHBondContact O-N 3.11Å; R91-R94 WeakPolarHBondContact O-CB 3.31Å; R91-R94 PolarHBondContact O-N 3.48Å; R91-R94 VanDerWaalsContact O-N 3.16Å; R91-R95 WeakPolarHBondContact O-CG 3.43Å; R91-R95 PolarHBondContact O-N 3.02Å |
| 92 | E | 98.4 | Very high | 98 | Very high | 98 Ų | 98 | 105 Ų | 105 | 46% | 0.458 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.4 | -41.7 | -179.7 | -161.4 | 52.4 | -137.2 | 0 | 0 | 112 | K88 R89 R94 R95 L96 | K88-E92 PolarHBondContact O-N 3.3Å; R89-E92 PolarHBondContact O-N 3.39Å; E92-R94 VanDerWaalsContact C-N 3.25Å; E92-R94 PolarHBondContact O-N 3.21Å; E92-R95 PolarHBondContact O-N 3.48Å; E92-R95 IonicContact OE2-NH1 3.16Å; E92-R95 PolarHBondContact OE2-NH1 2.88Å; E92-R95 VanDerWaalsContact OE2-NH1 3.16Å; E92-L96 PolarHBondContact O-N 2.85Å |
| 93 | K | 98.3 | Very high | 97.8 | Very high | 166 Ų | 166 | 102.2 Ų | 102.2 | 72% | 0.722 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -56.6 | -40.3 | 172 | -177.7 | 175.5 | 179.8 | 176.8 | 0 | 112.3 | R89 N97 | R89-K93 WeakPolarHBondContact O-CB 3.36Å; R89-K93 PolarHBondContact O-N 3.44Å; K93-N97 WeakPolarHBondContact O-CB 3.28Å; K93-N97 PolarHBondContact O-N 3.49Å; K93-N97 VanDerWaalsContact O-N 3.09Å |
| 94 | R | 98.4 | Very high | 97.8 | Very high | 154 Ų | 154 | 103.8 Ų | 103.8 | 58% | 0.581 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.6 | -48.6 | 176.8 | -173.7 | -174.5 | -61.3 | 144.9 | 2 | 111 | S90 R91 E92 L96 N97 D98 | S90-R94 PolarHBondContact O-N 3.06Å; R91-R94 WeakPolarHBondContact O-CB 3.31Å; R91-R94 PolarHBondContact O-N 3.48Å; R91-R94 VanDerWaalsContact O-N 3.16Å; E92-R94 VanDerWaalsContact C-N 3.25Å; E92-R94 PolarHBondContact O-N 3.21Å; R94-L96 VanDerWaalsContact C-N 3.32Å; R94-L96 PolarHBondContact O-N 3.36Å; R94-N97 CarbonylContact O-C 3.6Å; R94-N97 WeakPolarHBondContact O-CA 3.45Å; R94-N97 WeakPolarHBondContact O-CB 3.37Å; R94-N97 PolarHBondContact O-N 2.81Å; R94-D98 VanDerWaalsContact O-CG 3.25Å; R94-D98 PolarHBondContact O-N 2.94Å |
| 95 | R | 98.4 | Very high | 97.6 | Very high | 155 Ų | 155 | 104 Ų | 104 | 59% | 0.585 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -56.2 | -45.5 | 178.4 | -71.6 | 172.5 | 176.7 | 169.1 | -10.3 | 112.3 | R91 E92 N97 D98 L99 | R91-R95 WeakPolarHBondContact O-CG 3.43Å; R91-R95 PolarHBondContact O-N 3.02Å; E92-R95 PolarHBondContact O-N 3.48Å; E92-R95 IonicContact OE2-NH1 3.16Å; E92-R95 PolarHBondContact OE2-NH1 2.88Å; E92-R95 VanDerWaalsContact OE2-NH1 3.16Å; R95-N97 VanDerWaalsContact C-N 3.32Å; R95-N97 PolarHBondContact O-N 3.27Å; R95-D98 PolarHBondContact O-N 2.96Å; R95-L99 WeakPolarHBondContact O-CB 3.35Å; R95-L99 PolarHBondContact O-N 3.07Å |
| 96 | L | 97.8 | Very high | 97.4 | Very high | 104 Ų | 104 | 99.7 Ų | 99.7 | 55% | 0.545 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.2 | -39.8 | 175.8 | -178.2 | 62.5 | 0 | 0 | 0 | 111.7 | E92 R94 L99 V100 | E92-L96 PolarHBondContact O-N 2.85Å; R94-L96 VanDerWaalsContact C-N 3.32Å; R94-L96 PolarHBondContact O-N 3.36Å; L96-L99 PolarHBondContact O-N 2.74Å; L96-V100 HydrophobicContact CD1-CG2 4.47Å; L96-V100 VanDerWaalsContact O-CG2 3.26Å; L96-V100 WeakPolarHBondContact O-CG2 3.3Å; L96-V100 PolarHBondContact O-N 3.5Å |
| 97 | N | 98.1 | Very high | 97.3 | Very high | 87 Ų | 87 | 98.8 Ų | 98.8 | 47% | 0.465 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.4 | -43.5 | 176.6 | -176.6 | -123.5 | 0 | 0 | 0 | 112.1 | K93 R94 R95 L99 V100 L101 | K93-N97 WeakPolarHBondContact O-CB 3.28Å; K93-N97 PolarHBondContact O-N 3.49Å; K93-N97 VanDerWaalsContact O-N 3.09Å; R94-N97 CarbonylContact O-C 3.6Å; R94-N97 WeakPolarHBondContact O-CA 3.45Å; R94-N97 WeakPolarHBondContact O-CB 3.37Å; R94-N97 PolarHBondContact O-N 2.81Å; R95-N97 VanDerWaalsContact C-N 3.32Å; R95-N97 PolarHBondContact O-N 3.27Å; N97-L99 VanDerWaalsContact C-N 3.34Å; N97-L99 PolarHBondContact O-N 3.3Å; N97-V100 PolarHBondContact O-N 3.45Å; N97-L101 WeakPolarHBondContact O-CG 3.4Å; N97-L101 PolarHBondContact O-N 3.46Å |
| 98 | D | 97.1 | Very high | 97.2 | Very high | 83 Ų | 83 | 101.3 Ų | 101.3 | 44% | 0.444 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.7 | -45 | 176.8 | -62 | -23.6 | 0 | 0 | 0 | 110.3 | R94 R95 V100 L101 E102 | R94-D98 VanDerWaalsContact O-CG 3.25Å; R94-D98 PolarHBondContact O-N 2.94Å; R95-D98 PolarHBondContact O-N 2.96Å; D98-V100 PolarHBondContact O-N 3.4Å; D98-L101 PolarHBondContact O-N 3.12Å; D98-E102 WeakPolarHBondContact O-CB 3.43Å; D98-E102 PolarHBondContact O-N 2.79Å |
| 99 | L | 96.9 | Very high | 97 | Very high | 71 Ų | 71 | 94.3 Ų | 94.3 | 37% | 0.372 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.6 | -41.4 | 175.2 | 178.4 | 63.1 | 0 | 0 | 0 | 112.7 | R95 L96 N97 L101 E102 N103 | R95-L99 WeakPolarHBondContact O-CB 3.35Å; R95-L99 PolarHBondContact O-N 3.07Å; L96-L99 PolarHBondContact O-N 2.74Å; N97-L99 VanDerWaalsContact C-N 3.34Å; N97-L99 PolarHBondContact O-N 3.3Å; L99-L101 VanDerWaalsContact C-N 3.32Å; L99-E102 PolarHBondContact O-N 2.95Å; L99-N103 WeakPolarHBondContact O-CB 3.3Å; L99-N103 VanDerWaalsContact O-CG 3.27Å; L99-N103 PolarHBondContact O-N 3.18Å; L99-N103 PolarHBondContact O-ND2 2.86Å |
| 100 | V | 97.1 | Very high | 96.8 | Very high | 79 Ų | 79 | 91.5 Ų | 91.5 | 48% | 0.479 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.6 | -39.7 | 176.7 | 167.6 | 0 | 0 | 0 | 0 | 111 | L96 N97 D98 K104 | L96-V100 HydrophobicContact CD1-CG2 4.47Å; L96-V100 VanDerWaalsContact O-CG2 3.26Å; L96-V100 WeakPolarHBondContact O-CG2 3.3Å; L96-V100 PolarHBondContact O-N 3.5Å; N97-V100 PolarHBondContact O-N 3.45Å; D98-V100 PolarHBondContact O-N 3.4Å; V100-K104 WeakPolarHBondContact O-CB 3.42Å; V100-K104 PolarHBondContact O-N 2.92Å |
| 101 | L | 97.3 | Very high | 96.7 | Very high | 97 Ų | 97 | 93.7 Ų | 93.7 | 51% | 0.508 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -66.7 | -41.5 | 176.1 | -70.5 | 173.3 | 0 | 0 | 0 | 111.6 | N97 D98 L99 K104 L105 | N97-L101 WeakPolarHBondContact O-CG 3.4Å; N97-L101 PolarHBondContact O-N 3.46Å; D98-L101 PolarHBondContact O-N 3.12Å; L99-L101 VanDerWaalsContact C-N 3.32Å; L101-K104 PolarHBondContact O-N 2.95Å; L101-L105 WeakPolarHBondContact O-CB 3.37Å; L101-L105 PolarHBondContact O-N 3.3Å |
| 102 | E | 94.8 | Very high | 96.6 | Very high | 48 Ų | 48 | 89.6 Ų | 89.6 | 22% | 0.224 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -60.3 | -49.3 | 174 | -175.8 | 179 | -166 | 0 | 0 | 111.4 | D98 L99 K104 L105 I106 Y152 S155 | D98-E102 WeakPolarHBondContact O-CB 3.43Å; D98-E102 PolarHBondContact O-N 2.79Å; L99-E102 PolarHBondContact O-N 2.95Å; E102-K104 VanDerWaalsContact C-N 3.3Å; E102-K104 PolarHBondContact O-N 3.47Å; E102-L105 WeakPolarHBondContact O-CB 3.1Å; E102-L105 PolarHBondContact O-N 2.91Å; E102-L105 VanDerWaalsContact O-N 3.13Å; E102-I106 HydrophobicContact CG-CD1 4.36Å; E102-I106 WeakPolarHBondContact O-CG1 3.33Å; E102-I106 PolarHBondContact O-N 3.16Å; E102-Y152 HydrophobicContact CG-CD1 3.97Å; E102-S155 PolarHBondContact OE1-OG 3.45Å |
| 103 | N | 95.2 | Very high | 96.4 | Very high | 67 Ų | 67 | 85.8 Ų | 85.8 | 36% | 0.358 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -59 | -41.4 | 176.1 | -73.2 | -21.8 | 0 | 0 | 0 | 112.2 | L99 L105 I106 A107 K156 | L99-N103 WeakPolarHBondContact O-CB 3.3Å; L99-N103 VanDerWaalsContact O-CG 3.27Å; L99-N103 PolarHBondContact O-N 3.18Å; L99-N103 PolarHBondContact O-ND2 2.86Å; N103-L105 VanDerWaalsContact C-N 3.34Å; N103-I106 PolarHBondContact O-N 3.42Å; N103-A107 PolarHBondContact O-N 3.48Å; N103-K156 PolarHBondContact OD1-NZ 3.32Å |
| 104 | K | 97.1 | Very high | 96.3 | Very high | 128 Ų | 128 | 81.4 Ų | 81.4 | 56% | 0.557 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -64.9 | -39.2 | 177.2 | -177.7 | 174.3 | 179 | 178.1 | 0 | 111.7 | V100 L101 E102 I106 L108 | V100-K104 WeakPolarHBondContact O-CB 3.42Å; V100-K104 PolarHBondContact O-N 2.92Å; L101-K104 PolarHBondContact O-N 2.95Å; E102-K104 VanDerWaalsContact C-N 3.3Å; E102-K104 PolarHBondContact O-N 3.47Å; K104-I106 VanDerWaalsContact C-N 3.35Å; K104-L108 HydrophobicContact CG-CD1 3.96Å; K104-L108 HydrophobicContact CG-CG 4.29Å; K104-L108 WeakPolarHBondContact O-CB 3.48Å; K104-L108 VanDerWaalsContact O-CG 3.29Å; K104-L108 WeakPolarHBondContact O-CG 3.24Å; K104-L108 PolarHBondContact O-N 3.34Å |
| 105 | L | 96 | Very high | 96.3 | Very high | 85 Ų | 85 | 79.1 Ų | 79.1 | 45% | 0.445 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.3 | -44.1 | 176.7 | 179.3 | 64.8 | 0 | 0 | 0 | 111.2 | L101 E102 N103 G109 Y152 | L101-L105 WeakPolarHBondContact O-CB 3.37Å; L101-L105 PolarHBondContact O-N 3.3Å; E102-L105 WeakPolarHBondContact O-CB 3.1Å; E102-L105 PolarHBondContact O-N 2.91Å; E102-L105 VanDerWaalsContact O-N 3.13Å; N103-L105 VanDerWaalsContact C-N 3.34Å; L105-G109 PolarHBondContact O-N 2.76Å; L105-Y152 HydrophobicContact CD2-CE1 3.84Å; L105-Y152 HydrophobicContact CD2-CE2 4.11Å; L105-Y152 VanDerWaalsContact CD2-CZ 3.5Å; L105-Y152 WeakPolarHBondContact CD2-OH 3.46Å |
| 106 | I | 94.4 | Very high | 96.3 | Very high | 17 Ų | 17 | 76.9 Ų | 76.9 | 9% | 0.087 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -60.4 | -53.8 | 176.6 | -64.2 | 166.3 | 0 | 0 | 0 | 110.2 | E102 N103 K104 L108 G109 E110 F149 Y152 | E102-I106 HydrophobicContact CG-CD1 4.36Å; E102-I106 WeakPolarHBondContact O-CG1 3.33Å; E102-I106 PolarHBondContact O-N 3.16Å; N103-I106 PolarHBondContact O-N 3.42Å; K104-I106 VanDerWaalsContact C-N 3.35Å; I106-L108 PolarHBondContact O-N 2.92Å; I106-G109 CarbonylContact O-C 3.59Å; I106-G109 WeakPolarHBondContact O-CA 3.28Å; I106-G109 PolarHBondContact O-N 3.37Å; I106-E110 HydrophobicContact CG2-CG 4.47Å; I106-E110 PolarHBondContact O-N 3.47Å; I106-F149 HydrophobicContact CB-CD1 4.47Å; I106-F149 HydrophobicContact CG1-CD1 4.42Å; I106-F149 HydrophobicContact CG2-CD1 4.15Å; I106-Y152 HydrophobicContact CG1-CG 4.47Å |
| 107 | A | 94.8 | Very high | 96.2 | Very high | 40 Ų | 40 | 73.6 Ų | 73.6 | 33% | 0.331 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.2 | -47.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | N103 G109 E110 E111 | N103-A107 PolarHBondContact O-N 3.48Å; A107-G109 PolarHBondContact O-N 2.81Å; A107-E110 PolarHBondContact O-N 3.24Å; A107-E111 WeakPolarHBondContact O-CG 3.46Å; A107-E111 PolarHBondContact O-N 2.9Å |
| 108 | L | 96.7 | Very high | 96.2 | Very high | 88 Ų | 88 | 74.7 Ų | 74.7 | 46% | 0.461 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.9 | -33 | 175.9 | -74 | 176.3 | 0 | 0 | 0 | 112.2 | K104 I106 N112 | K104-L108 HydrophobicContact CG-CD1 3.96Å; K104-L108 HydrophobicContact CG-CG 4.29Å; K104-L108 WeakPolarHBondContact O-CB 3.48Å; K104-L108 VanDerWaalsContact O-CG 3.29Å; K104-L108 WeakPolarHBondContact O-CG 3.24Å; K104-L108 PolarHBondContact O-N 3.34Å; I106-L108 PolarHBondContact O-N 2.92Å; L108-N112 VanDerWaalsContact O-CB 3.24Å; L108-N112 WeakPolarHBondContact O-CB 3.5Å; L108-N112 PolarHBondContact O-N 2.81Å |
| 109 | G | 94.7 | Very high | 96.3 | Very high | 18 Ų | 18 | 75 Ų | 75 | 19% | 0.186 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -68.3 | -44.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L105 I106 A107 N112 A113 | L105-G109 PolarHBondContact O-N 2.76Å; I106-G109 CarbonylContact O-C 3.59Å; I106-G109 WeakPolarHBondContact O-CA 3.28Å; I106-G109 PolarHBondContact O-N 3.37Å; A107-G109 PolarHBondContact O-N 2.81Å; G109-N112 PolarHBondContact O-N 3.37Å; G109-A113 PolarHBondContact O-N 2.97Å |
| 110 | E | 93.7 | Very high | 96.3 | Very high | 108 Ų | 108 | 72.4 Ų | 72.4 | 51% | 0.505 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.8 | -45.1 | 173.3 | -68.9 | 175.7 | 167.1 | 0 | 0 | 111.7 | I106 A107 N112 A113 T114 | I106-E110 HydrophobicContact CG2-CG 4.47Å; I106-E110 PolarHBondContact O-N 3.47Å; A107-E110 PolarHBondContact O-N 3.24Å; E110-N112 VanDerWaalsContact C-N 3.34Å; E110-N112 PolarHBondContact O-N 3.26Å; E110-A113 PolarHBondContact O-N 2.99Å; E110-T114 WeakPolarHBondContact O-CB 3.46Å; E110-T114 PolarHBondContact O-N 3.19Å; E110-T114 PolarHBondContact O-OG1 3.07Å |
| 111 | E | 96.8 | Very high | 96.3 | Very high | 112 Ų | 112 | 70.3 Ų | 70.3 | 52% | 0.523 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -58.9 | -45.2 | 174 | -73.3 | 175.2 | -168 | 0 | 0 | 111.1 | A107 A113 T114 L115 | A107-E111 WeakPolarHBondContact O-CG 3.46Å; A107-E111 PolarHBondContact O-N 2.9Å; E111-A113 PolarHBondContact O-N 3.03Å; E111-T114 PolarHBondContact O-N 3.35Å; E111-L115 WeakPolarHBondContact O-CB 3.36Å; E111-L115 VanDerWaalsContact O-CG 3.28Å; E111-L115 WeakPolarHBondContact O-CG 3.13Å; E111-L115 PolarHBondContact O-N 3.5Å |
| 112 | N | 96.4 | Very high | 96.3 | Very high | 77 Ų | 77 | 69.7 Ų | 69.7 | 41% | 0.412 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.7 | -41.5 | 179.2 | -166.6 | -77.9 | 0 | 0 | 0 | 112.4 | L108 G109 E110 T114 L115 K116 | L108-N112 VanDerWaalsContact O-CB 3.24Å; L108-N112 WeakPolarHBondContact O-CB 3.5Å; L108-N112 PolarHBondContact O-N 2.81Å; G109-N112 PolarHBondContact O-N 3.37Å; E110-N112 VanDerWaalsContact C-N 3.34Å; E110-N112 PolarHBondContact O-N 3.26Å; N112-T114 VanDerWaalsContact C-N 3.33Å; N112-L115 PolarHBondContact O-N 3.48Å; N112-K116 WeakPolarHBondContact O-CB 3.32Å; N112-K116 WeakPolarHBondContact O-CG 2.92Å; N112-K116 PolarHBondContact O-N 3.34Å; N112-K116 WeakPolarHBondContact OD1-CD 2.95Å; N112-K116 WeakPolarHBondContact OD1-CE 3.41Å; N112-K116 PolarHBondContact OD1-NZ 3.47Å |
| 113 | A | 95.6 | Very high | 96.4 | Very high | 17 Ų | 17 | 71.2 Ų | 71.2 | 14% | 0.14 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.7 | -44.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | G109 E110 E111 K116 A117 T145 | G109-A113 PolarHBondContact O-N 2.97Å; E110-A113 PolarHBondContact O-N 2.99Å; E111-A113 PolarHBondContact O-N 3.03Å; A113-K116 PolarHBondContact O-N 2.87Å; A113-A117 PolarHBondContact O-N 3.46Å; A113-T145 HydrophobicContact CB-CG2 4.28Å |
| 114 | T | 96.3 | Very high | 96.6 | Very high | 75 Ų | 75 | 70.7 Ų | 70.7 | 46% | 0.46 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.3 | -50.5 | 177.4 | -54.7 | 0 | 0 | 0 | 0 | 111.3 | E110 E111 N112 K116 A117 E118 | E110-T114 WeakPolarHBondContact O-CB 3.46Å; E110-T114 PolarHBondContact O-N 3.19Å; E110-T114 PolarHBondContact O-OG1 3.07Å; E111-T114 PolarHBondContact O-N 3.35Å; N112-T114 VanDerWaalsContact C-N 3.33Å; T114-K116 VanDerWaalsContact C-N 3.3Å; T114-K116 PolarHBondContact O-N 3.36Å; T114-A117 WeakPolarHBondContact O-CB 3.48Å; T114-A117 PolarHBondContact O-N 3.37Å; T114-A117 VanDerWaalsContact O-N 3.09Å; T114-E118 WeakPolarHBondContact O-CG 3.49Å; T114-E118 PolarHBondContact O-N 3.48Å |
| 115 | L | 98.2 | Very high | 96.5 | Very high | 106 Ų | 106 | 72 Ų | 72 | 56% | 0.555 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -59.9 | -38.5 | 178.2 | -70.9 | 172.4 | 0 | 0 | 0 | 112.5 | E111 N112 L119 | E111-L115 WeakPolarHBondContact O-CB 3.36Å; E111-L115 VanDerWaalsContact O-CG 3.28Å; E111-L115 WeakPolarHBondContact O-CG 3.13Å; E111-L115 PolarHBondContact O-N 3.5Å; N112-L115 PolarHBondContact O-N 3.48Å; L115-L119 VanDerWaalsContact O-CB 3.28Å; L115-L119 WeakPolarHBondContact O-CB 3.49Å; L115-L119 PolarHBondContact O-N 3.46Å |
| 116 | K | 96.8 | Very high | 96.6 | Very high | 107 Ų | 107 | 75.3 Ų | 75.3 | 47% | 0.465 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66.1 | -40.4 | 175.1 | -78.7 | 173.8 | 175.6 | 157.1 | 0 | 112 | N112 A113 T114 L119 L120 L141 | N112-K116 WeakPolarHBondContact O-CB 3.32Å; N112-K116 WeakPolarHBondContact O-CG 2.92Å; N112-K116 PolarHBondContact O-N 3.34Å; N112-K116 WeakPolarHBondContact OD1-CD 2.95Å; N112-K116 WeakPolarHBondContact OD1-CE 3.41Å; N112-K116 PolarHBondContact OD1-NZ 3.47Å; A113-K116 PolarHBondContact O-N 2.87Å; T114-K116 VanDerWaalsContact C-N 3.3Å; T114-K116 PolarHBondContact O-N 3.36Å; K116-L119 PolarHBondContact O-N 3.49Å; K116-L120 WeakPolarHBondContact O-CB 3.08Å; K116-L120 VanDerWaalsContact O-CG 3.3Å; K116-L120 WeakPolarHBondContact O-CG 3.29Å; K116-L120 PolarHBondContact O-N 2.96Å; K116-L141 HydrophobicContact CB-CD1 3.61Å; K116-L141 HydrophobicContact CB-CD2 4.04Å; K116-L141 HydrophobicContact CD-CD1 3.46Å; K116-L141 VanDerWaalsContact CD-CD1 3.46Å; K116-L141 HydrophobicContact CG-CD1 4.19Å |
| 117 | A | 96.8 | Very high | 96.6 | Very high | 35 Ų | 35 | 77.4 Ų | 77.4 | 29% | 0.289 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.8 | -44.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | A113 T114 L120 S121 L141 | A113-A117 PolarHBondContact O-N 3.46Å; T114-A117 WeakPolarHBondContact O-CB 3.48Å; T114-A117 PolarHBondContact O-N 3.37Å; T114-A117 VanDerWaalsContact O-N 3.09Å; A117-L120 PolarHBondContact O-N 2.95Å; A117-S121 PolarHBondContact O-N 3.2Å; A117-L141 HydrophobicContact CB-CD2 3.96Å |
| 118 | E | 97.9 | Very high | 96.7 | Very high | 110 Ų | 110 | 81.7 Ų | 81.7 | 51% | 0.514 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.5 | -46.1 | 174.8 | -71.8 | 179.7 | -172 | 0 | 0 | 111.7 | T114 L120 S121 L122 | T114-E118 WeakPolarHBondContact O-CG 3.49Å; T114-E118 PolarHBondContact O-N 3.48Å; E118-L120 VanDerWaalsContact C-N 3.33Å; E118-L120 PolarHBondContact O-N 3.05Å; E118-S121 WeakPolarHBondContact O-CB 3.36Å; E118-S121 PolarHBondContact O-N 2.98Å; E118-L122 WeakPolarHBondContact O-CG 3.38Å; E118-L122 PolarHBondContact O-N 2.94Å |
| 119 | L | 98 | Very high | 96.7 | Very high | 89 Ų | 89 | 79.4 Ų | 79.4 | 47% | 0.466 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.2 | -42.8 | 176.7 | 179.6 | 63.6 | 0 | 0 | 0 | 111.9 | L115 K116 S121 L122 K123 | L115-L119 VanDerWaalsContact O-CB 3.28Å; L115-L119 WeakPolarHBondContact O-CB 3.49Å; L115-L119 PolarHBondContact O-N 3.46Å; K116-L119 PolarHBondContact O-N 3.49Å; L119-S121 VanDerWaalsContact C-N 3.35Å; L119-L122 PolarHBondContact O-N 2.59Å; L119-K123 HydrophobicContact CG-CD 4.36Å; L119-K123 WeakPolarHBondContact O-CB 3.39Å; L119-K123 WeakPolarHBondContact O-CG 3.49Å; L119-K123 PolarHBondContact O-N 3.38Å |
| 120 | L | 97.4 | Very high | 96.8 | Very high | 17 Ų | 17 | 82 Ų | 82 | 9% | 0.089 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -63.9 | -41.4 | 175.9 | -76 | 171.4 | 0 | 0 | 0 | 111.5 | K116 A117 E118 L122 K123 L124 I129 Y134 E137 I138 | K116-L120 WeakPolarHBondContact O-CB 3.08Å; K116-L120 VanDerWaalsContact O-CG 3.3Å; K116-L120 WeakPolarHBondContact O-CG 3.29Å; K116-L120 PolarHBondContact O-N 2.96Å; A117-L120 PolarHBondContact O-N 2.95Å; E118-L120 VanDerWaalsContact C-N 3.33Å; E118-L120 PolarHBondContact O-N 3.05Å; L120-L122 VanDerWaalsContact C-N 3.34Å; L120-L122 PolarHBondContact O-N 3.41Å; L120-K123 PolarHBondContact O-N 3.15Å; L120-L124 WeakPolarHBondContact O-CB 3.42Å; L120-L124 PolarHBondContact O-N 2.97Å; L120-I129 HydrophobicContact CD2-CD1 3.99Å; L120-Y134 HydrophobicContact CB-CD2 3.9Å; L120-Y134 HydrophobicContact CB-CE2 3.82Å; L120-E137 HydrophobicContact CD1-CB 3.91Å; L120-E137 HydrophobicContact CD1-CG 3.94Å; L120-E137 HydrophobicContact CD2-CB 3.89Å; L120-E137 HydrophobicContact CD2-CG 3.83Å; L120-I138 HydrophobicContact CB-CD1 4.3Å; L120-I138 HydrophobicContact CD1-CD1 3.76Å; L120-I138 HydrophobicContact CD1-CG1 4.23Å |
| 121 | S | 97.1 | Very high | 97 | Very high | 36 Ų | 36 | 81 Ų | 81 | 25% | 0.252 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.8 | -45.1 | 174.9 | -172.2 | 0 | 0 | 0 | 0 | 111.4 | A117 E118 L119 L124 K125 | A117-S121 PolarHBondContact O-N 3.2Å; E118-S121 WeakPolarHBondContact O-CB 3.36Å; E118-S121 PolarHBondContact O-N 2.98Å; L119-S121 VanDerWaalsContact C-N 3.35Å; S121-L124 PolarHBondContact O-N 3.25Å; S121-K125 VanDerWaalsContact O-CG 3.3Å; S121-K125 WeakPolarHBondContact O-CG 3.34Å; S121-K125 PolarHBondContact O-N 3.01Å |
| 122 | L | 98.1 | Very high | 96.9 | Very high | 84 Ų | 84 | 79.2 Ų | 79.2 | 44% | 0.44 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.7 | -47.7 | 176.3 | -70 | 168.9 | 0 | 0 | 0 | 111.3 | E118 L119 L120 L124 K125 F126 | E118-L122 WeakPolarHBondContact O-CG 3.38Å; E118-L122 PolarHBondContact O-N 2.94Å; L119-L122 PolarHBondContact O-N 2.59Å; L120-L122 VanDerWaalsContact C-N 3.34Å; L120-L122 PolarHBondContact O-N 3.41Å; L122-L124 PolarHBondContact O-N 3.33Å; L122-K125 PolarHBondContact O-N 3.09Å; L122-K125 VanDerWaalsContact O-N 3.1Å; L122-F126 HydrophobicContact CB-CD2 4.42Å; L122-F126 HydrophobicContact CB-CE2 4.43Å; L122-F126 HydrophobicContact CD2-CE2 4.07Å; L122-F126 WeakPolarHBondContact O-CD2 3.37Å; L122-F126 PolarHBondContact O-N 3.35Å |
| 123 | K | 97.5 | Very high | 96.9 | Very high | 79 Ų | 79 | 77.4 Ų | 77.4 | 34% | 0.343 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -56.3 | -40 | 176.9 | -76.6 | 178.6 | 175.3 | -175.7 | 0 | 112.1 | L119 L120 G127 L128 I129 | L119-K123 HydrophobicContact CG-CD 4.36Å; L119-K123 WeakPolarHBondContact O-CB 3.39Å; L119-K123 WeakPolarHBondContact O-CG 3.49Å; L119-K123 PolarHBondContact O-N 3.38Å; L120-K123 PolarHBondContact O-N 3.15Å; K123-G127 PolarHBondContact O-N 3.46Å; K123-L128 HydrophobicContact CB-CB 4.27Å; K123-L128 HydrophobicContact CG-CB 4.47Å; K123-L128 HydrophobicContact CG-CD1 4.33Å; K123-L128 WeakPolarHBondContact O-CB 3.36Å; K123-L128 PolarHBondContact O-N 2.98Å; K123-I129 HydrophobicContact CB-CD1 3.77Å; K123-I129 HydrophobicContact CB-CG1 3.86Å; K123-I129 HydrophobicContact CB-CG2 4.25Å; K123-I129 HydrophobicContact CD-CG2 4.43Å; K123-I129 PolarHBondContact O-N 2.94Å |
| 124 | L | 97.5 | Very high | 97 | Very high | 56 Ų | 56 | 79.6 Ų | 79.6 | 29% | 0.293 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.2 | -47.3 | 175.6 | -179.2 | 65.5 | 0 | 0 | 0 | 111.3 | L120 S121 L122 F126 G127 I129 Y134 | L120-L124 WeakPolarHBondContact O-CB 3.42Å; L120-L124 PolarHBondContact O-N 2.97Å; S121-L124 PolarHBondContact O-N 3.25Å; L122-L124 PolarHBondContact O-N 3.33Å; L124-F126 VanDerWaalsContact C-N 3.28Å; L124-F126 PolarHBondContact O-N 3.46Å; L124-G127 PolarHBondContact O-N 2.98Å; L124-I129 HydrophobicContact CB-CD1 4.37Å; L124-I129 HydrophobicContact CB-CG1 4.19Å; L124-Y134 HydrophobicContact CB-CD2 4.06Å; L124-Y134 HydrophobicContact CB-CG 4.38Å; L124-Y134 HydrophobicContact CD2-CD1 3.89Å; L124-Y134 HydrophobicContact CD2-CD2 4.05Å; L124-Y134 HydrophobicContact CD2-CE1 4.24Å; L124-Y134 HydrophobicContact CD2-CE2 4.38Å; L124-Y134 HydrophobicContact CD2-CG 3.79Å; L124-Y134 HydrophobicContact CG-CG 4.48Å |
| 125 | K | 96.8 | Very high | 96.9 | Very high | 156 Ų | 156 | 78.2 Ų | 78.2 | 68% | 0.678 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -59.9 | -35.9 | 179.8 | -74.5 | 172.2 | -177.8 | 173.4 | 0 | 113.1 | S121 L122 G127 | S121-K125 VanDerWaalsContact O-CG 3.3Å; S121-K125 WeakPolarHBondContact O-CG 3.34Å; S121-K125 PolarHBondContact O-N 3.01Å; L122-K125 PolarHBondContact O-N 3.09Å; L122-K125 VanDerWaalsContact O-N 3.1Å; K125-G127 VanDerWaalsContact C-N 3.3Å |
| 126 | F | 97.5 | Very high | 96.8 | Very high | 154 Ų | 154 | 79.8 Ų | 79.8 | 68% | 0.675 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | 5.2 | 177.3 | -67.9 | -67.8 | 0 | 0 | 0 | 113.7 | L122 L124 L128 | L122-F126 HydrophobicContact CB-CD2 4.42Å; L122-F126 HydrophobicContact CB-CE2 4.43Å; L122-F126 HydrophobicContact CD2-CE2 4.07Å; L122-F126 WeakPolarHBondContact O-CD2 3.37Å; L122-F126 PolarHBondContact O-N 3.35Å; L124-F126 VanDerWaalsContact C-N 3.28Å; L124-F126 PolarHBondContact O-N 3.46Å; F126-L128 HydrophobicContact CB-CD1 4.37Å; F126-L128 HydrophobicContact CB-CG 4.04Å; F126-L128 PolarHBondContact O-N 3.5Å |
| 127 | G | 95.3 | Very high | 96.8 | Very high | 62 Ų | 62 | 78.2 Ų | 78.2 | 64% | 0.639 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.2 | 17.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | K123 L124 K125 I129 | K123-G127 PolarHBondContact O-N 3.46Å; L124-G127 PolarHBondContact O-N 2.98Å; K125-G127 VanDerWaalsContact C-N 3.3Å; G127-I129 PolarHBondContact O-N 2.87Å |
| 128 | L | 96.4 | Very high | 96.7 | Very high | 129 Ų | 129 | 78.9 Ų | 78.9 | 68% | 0.675 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -74.4 | -19 | 177.5 | -58.4 | 179.9 | 0 | 0 | 0 | 112.2 | K123 F126 | K123-L128 HydrophobicContact CB-CB 4.27Å; K123-L128 HydrophobicContact CG-CB 4.47Å; K123-L128 HydrophobicContact CG-CD1 4.33Å; K123-L128 WeakPolarHBondContact O-CB 3.36Å; K123-L128 PolarHBondContact O-N 2.98Å; F126-L128 HydrophobicContact CB-CD1 4.37Å; F126-L128 HydrophobicContact CB-CG 4.04Å; F126-L128 PolarHBondContact O-N 3.5Å |
| 129 | I | 96.7 | Very high | 96.5 | Very high | 41 Ų | 41 | 80.2 Ų | 80.2 | 21% | 0.21 | 44% | 0.444 | C | S | . | . | S | Bend | trans | -136.4 | 151.3 | 174 | 62.3 | 178.6 | 0 | 0 | 0 | 110.2 | L120 K123 L124 G127 A133 Y134 | L120-I129 HydrophobicContact CD2-CD1 3.99Å; K123-I129 HydrophobicContact CB-CD1 3.77Å; K123-I129 HydrophobicContact CB-CG1 3.86Å; K123-I129 HydrophobicContact CB-CG2 4.25Å; K123-I129 HydrophobicContact CD-CG2 4.43Å; K123-I129 PolarHBondContact O-N 2.94Å; L124-I129 HydrophobicContact CB-CD1 4.37Å; L124-I129 HydrophobicContact CB-CG1 4.19Å; G127-I129 PolarHBondContact O-N 2.87Å; I129-A133 HydrophobicContact CB-CB 4.49Å; I129-Y134 HydrophobicContact CD1-CD2 4.14Å |
| 130 | S | 97 | Very high | 96.3 | Very high | 72 Ų | 72 | 81.4 Ų | 81.4 | 50% | 0.503 | 45% | 0.446 | S | S | . | . | trans | -75.4 | 157.9 | 173.7 | 72.1 | 0 | 0 | 0 | 0 | 111.4 | A132 A133 Y134 | S130-A132 PolarHBondContact O-N 2.92Å; S130-A133 PolarHBondContact O-N 3.26Å; S130-A133 VanDerWaalsContact O-N 3.17Å; S130-A133 WeakPolarHBondContact OG-CB 3.26Å; S130-A133 PolarHBondContact OG-N 3.33Å; S130-Y134 PolarHBondContact O-N 3.47Å | ||
| 131 | S | 96.2 | Very high | 96.1 | Very high | 87 Ų | 87 | 81.9 Ų | 81.9 | 61% | 0.608 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -56.9 | -38.5 | 174.8 | -174.7 | 0 | 0 | 0 | 0 | 112.4 | Y134 A135 | S131-Y134 PolarHBondContact O-N 3.43Å; S131-A135 PolarHBondContact O-N 3.11Å |
| 132 | A | 96.3 | Very high | 95.8 | Very high | 74 Ų | 74 | 83.7 Ų | 83.7 | 61% | 0.612 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -64.7 | -44.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S130 A135 Q136 | S130-A132 PolarHBondContact O-N 2.92Å; A132-A135 PolarHBondContact O-N 3.31Å; A132-Q136 PolarHBondContact O-N 3.44Å; A132-Q136 VanDerWaalsContact O-N 3.15Å |
| 133 | A | 96 | Very high | 95.4 | Very high | 39 Ų | 39 | 83.2 Ų | 83.2 | 32% | 0.322 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.5 | -38.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I129 S130 Q136 E137 | I129-A133 HydrophobicContact CB-CB 4.49Å; S130-A133 PolarHBondContact O-N 3.26Å; S130-A133 VanDerWaalsContact O-N 3.17Å; S130-A133 WeakPolarHBondContact OG-CB 3.26Å; S130-A133 PolarHBondContact OG-N 3.33Å; A133-Q136 PolarHBondContact O-N 2.98Å; A133-E137 WeakPolarHBondContact O-CB 3.4Å; A133-E137 PolarHBondContact O-N 3.02Å |
| 134 | Y | 96.9 | Very high | 95 | Very high | 63 Ų | 63 | 81.9 Ų | 81.9 | 25% | 0.247 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -58.7 | -49.2 | 173.5 | 172 | -95.6 | 0 | 0 | 0 | 111.9 | L120 L124 I129 S130 S131 Q136 E137 I138 | L120-Y134 HydrophobicContact CB-CD2 3.9Å; L120-Y134 HydrophobicContact CB-CE2 3.82Å; L124-Y134 HydrophobicContact CB-CD2 4.06Å; L124-Y134 HydrophobicContact CB-CG 4.38Å; L124-Y134 HydrophobicContact CD2-CD1 3.89Å; L124-Y134 HydrophobicContact CD2-CD2 4.05Å; L124-Y134 HydrophobicContact CD2-CE1 4.24Å; L124-Y134 HydrophobicContact CD2-CE2 4.38Å; L124-Y134 HydrophobicContact CD2-CG 3.79Å; L124-Y134 HydrophobicContact CG-CG 4.48Å; I129-Y134 HydrophobicContact CD1-CD2 4.14Å; S130-Y134 PolarHBondContact O-N 3.47Å; S131-Y134 PolarHBondContact O-N 3.43Å; Y134-Q136 VanDerWaalsContact C-N 3.31Å; Y134-Q136 PolarHBondContact O-N 3.42Å; Y134-E137 PolarHBondContact O-N 3.37Å; Y134-I138 HydrophobicContact CD1-CG1 4.25Å; Y134-I138 HydrophobicContact CD2-CG1 4.15Å; Y134-I138 HydrophobicContact CE1-CG1 3.86Å; Y134-I138 HydrophobicContact CE2-CD1 3.91Å; Y134-I138 HydrophobicContact CE2-CG1 3.74Å; Y134-I138 HydrophobicContact CG-CG1 4.39Å; Y134-I138 VanDerWaalsContact O-CG1 3.31Å; Y134-I138 WeakPolarHBondContact O-CG1 3.44Å; Y134-I138 PolarHBondContact O-N 2.98Å |
| 135 | A | 95.4 | Very high | 94.6 | Very high | 47 Ų | 47 | 81.2 Ų | 81.2 | 39% | 0.388 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -59.9 | -42.1 | 180 | 0 | 0 | 0 | 0 | 0 | 112.1 | S131 A132 Q139 | S131-A135 PolarHBondContact O-N 3.11Å; A132-A135 PolarHBondContact O-N 3.31Å; A135-Q139 WeakPolarHBondContact O-CG 3.35Å; A135-Q139 PolarHBondContact O-N 3.28Å; A135-Q139 VanDerWaalsContact O-N 3.12Å |
| 136 | Q | 96.3 | Very high | 94.1 | Very high | 138 Ų | 138 | 77 Ų | 77 | 65% | 0.645 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -63.3 | -45 | 176.5 | -172.4 | 178.7 | 7.5 | 0 | 0 | 111.9 | A132 A133 Y134 I138 Q139 K140 | A132-Q136 PolarHBondContact O-N 3.44Å; A132-Q136 VanDerWaalsContact O-N 3.15Å; A133-Q136 PolarHBondContact O-N 2.98Å; Y134-Q136 VanDerWaalsContact C-N 3.31Å; Y134-Q136 PolarHBondContact O-N 3.42Å; Q136-I138 PolarHBondContact O-N 3.41Å; Q136-Q139 PolarHBondContact O-N 3.03Å; Q136-K140 WeakPolarHBondContact O-CB 3.2Å; Q136-K140 PolarHBondContact O-N 3.1Å |
| 137 | E | 95.2 | Very high | 93.5 | Very high | 75 Ų | 75 | 74.2 Ų | 74.2 | 35% | 0.35 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -71.5 | -32.3 | -176.6 | -148.9 | 64.2 | -160.4 | 0 | 0 | 111.9 | L120 A133 Y134 K140 L141 | L120-E137 HydrophobicContact CD1-CB 3.91Å; L120-E137 HydrophobicContact CD1-CG 3.94Å; L120-E137 HydrophobicContact CD2-CB 3.89Å; L120-E137 HydrophobicContact CD2-CG 3.83Å; A133-E137 WeakPolarHBondContact O-CB 3.4Å; A133-E137 PolarHBondContact O-N 3.02Å; Y134-E137 PolarHBondContact O-N 3.37Å; E137-K140 PolarHBondContact O-N 3.42Å; E137-K140 IonicContact OE1-NZ 2.84Å; E137-K140 PolarHBondContact OE1-NZ 2.84Å; E137-K140 IonicContact OE2-NZ 3.92Å; E137-L141 VanDerWaalsContact O-CB 3.3Å; E137-L141 WeakPolarHBondContact O-CB 3.42Å; E137-L141 PolarHBondContact O-N 3.02Å |
| 138 | I | 94.7 | Very high | 92.7 | Very high | 49 Ų | 49 | 78.9 Ų | 78.9 | 25% | 0.251 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -66.5 | -43 | 172.6 | -69.2 | -67.9 | 0 | 0 | 0 | 111.5 | L120 Y134 Q136 K140 L141 S142 | L120-I138 HydrophobicContact CB-CD1 4.3Å; L120-I138 HydrophobicContact CD1-CD1 3.76Å; L120-I138 HydrophobicContact CD1-CG1 4.23Å; Y134-I138 HydrophobicContact CD1-CG1 4.25Å; Y134-I138 HydrophobicContact CD2-CG1 4.15Å; Y134-I138 HydrophobicContact CE1-CG1 3.86Å; Y134-I138 HydrophobicContact CE2-CD1 3.91Å; Y134-I138 HydrophobicContact CE2-CG1 3.74Å; Y134-I138 HydrophobicContact CG-CG1 4.39Å; Y134-I138 VanDerWaalsContact O-CG1 3.31Å; Y134-I138 WeakPolarHBondContact O-CG1 3.44Å; Y134-I138 PolarHBondContact O-N 2.98Å; Q136-I138 PolarHBondContact O-N 3.41Å; I138-K140 VanDerWaalsContact C-N 3.32Å; I138-K140 PolarHBondContact O-N 3.46Å; I138-L141 PolarHBondContact O-N 2.91Å; I138-S142 PolarHBondContact O-N 2.91Å |
| 139 | Q | 94.3 | Very high | 92 | Very high | 138 Ų | 138 | 74.2 Ų | 74.2 | 65% | 0.645 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -62.1 | -41.8 | 175.5 | -74.6 | -176.1 | 4.5 | 0 | 0 | 111.9 | A135 Q136 S142 S143 | A135-Q139 WeakPolarHBondContact O-CG 3.35Å; A135-Q139 PolarHBondContact O-N 3.28Å; A135-Q139 VanDerWaalsContact O-N 3.12Å; Q136-Q139 PolarHBondContact O-N 3.03Å; Q139-S142 PolarHBondContact O-N 3.35Å; Q139-S143 WeakPolarHBondContact O-CB 3.4Å; Q139-S143 PolarHBondContact O-N 3.02Å; Q139-S143 PolarHBondContact O-OG 3.49Å |
| 140 | K | 93.4 | Very high | 91.1 | Very high | 114 Ų | 114 | 78.3 Ų | 78.3 | 50% | 0.496 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.5 | -42.1 | 175.9 | 178.8 | 179.1 | 164.2 | -155.5 | 0 | 112 | Q136 E137 I138 S143 S144 | Q136-K140 WeakPolarHBondContact O-CB 3.2Å; Q136-K140 PolarHBondContact O-N 3.1Å; E137-K140 PolarHBondContact O-N 3.42Å; E137-K140 IonicContact OE1-NZ 2.84Å; E137-K140 PolarHBondContact OE1-NZ 2.84Å; E137-K140 IonicContact OE2-NZ 3.92Å; I138-K140 VanDerWaalsContact C-N 3.32Å; I138-K140 PolarHBondContact O-N 3.46Å; K140-S143 PolarHBondContact O-N 2.96Å; K140-S144 WeakPolarHBondContact O-CB 3.3Å; K140-S144 PolarHBondContact O-N 3.23Å; K140-S144 PolarHBondContact O-OG 3.2Å |
| 141 | L | 93.2 | Very high | 89.9 | Confident | 26 Ų | 26 | 80.7 Ų | 80.7 | 14% | 0.136 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -59.4 | -49.1 | 175 | -175.4 | 71.5 | 0 | 0 | 0 | 110.5 | K116 A117 E137 I138 S143 S144 T145 | K116-L141 HydrophobicContact CB-CD1 3.61Å; K116-L141 HydrophobicContact CB-CD2 4.04Å; K116-L141 HydrophobicContact CD-CD1 3.46Å; K116-L141 VanDerWaalsContact CD-CD1 3.46Å; K116-L141 HydrophobicContact CG-CD1 4.19Å; A117-L141 HydrophobicContact CB-CD2 3.96Å; E137-L141 VanDerWaalsContact O-CB 3.3Å; E137-L141 WeakPolarHBondContact O-CB 3.42Å; E137-L141 PolarHBondContact O-N 3.02Å; I138-L141 PolarHBondContact O-N 2.91Å; L141-S143 PolarHBondContact O-N 3.07Å; L141-S144 PolarHBondContact O-N 3.36Å; L141-T145 WeakPolarHBondContact O-CB 3.44Å; L141-T145 PolarHBondContact O-N 2.89Å; L141-T145 PolarHBondContact O-OG1 3.03Å |
| 142 | S | 90.9 | Very high | 88.7 | Confident | 74 Ų | 74 | 80.3 Ų | 80.3 | 52% | 0.517 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.5 | -45.9 | 179.4 | -165.3 | 0 | 0 | 0 | 0 | 111.8 | I138 Q139 S144 T145 T146 | I138-S142 PolarHBondContact O-N 2.91Å; Q139-S142 PolarHBondContact O-N 3.35Å; S142-S144 PolarHBondContact O-N 3.44Å; S142-T145 PolarHBondContact O-N 2.97Å; S142-T146 PolarHBondContact O-N 3.26Å; S142-T146 PolarHBondContact O-OG1 3.28Å; S142-T146 VanDerWaalsContact O-OG1 3.05Å |
| 143 | S | 90.8 | Very high | 87.1 | Confident | 74 Ų | 74 | 83 Ų | 83 | 52% | 0.517 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.4 | -42.8 | -179.7 | -54.6 | 0 | 0 | 0 | 0 | 111.5 | Q139 K140 L141 T146 V147 | Q139-S143 WeakPolarHBondContact O-CB 3.4Å; Q139-S143 PolarHBondContact O-N 3.02Å; Q139-S143 PolarHBondContact O-OG 3.49Å; K140-S143 PolarHBondContact O-N 2.96Å; L141-S143 PolarHBondContact O-N 3.07Å; S143-T146 PolarHBondContact O-N 3.45Å; S143-V147 WeakPolarHBondContact O-CG2 3.46Å; S143-V147 PolarHBondContact O-N 3.39Å |
| 144 | S | 88.4 | Confident | 85.2 | Confident | 52 Ų | 52 | 84.7 Ų | 84.7 | 36% | 0.364 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.7 | -47.7 | 178.8 | -55.6 | 0 | 0 | 0 | 0 | 111 | K140 L141 S142 T146 V147 Y148 | K140-S144 WeakPolarHBondContact O-CB 3.3Å; K140-S144 PolarHBondContact O-N 3.23Å; K140-S144 PolarHBondContact O-OG 3.2Å; L141-S144 PolarHBondContact O-N 3.36Å; S142-S144 PolarHBondContact O-N 3.44Å; S144-T146 PolarHBondContact O-N 3.25Å; S144-V147 PolarHBondContact O-N 3.45Å; S144-Y148 WeakPolarHBondContact O-CD2 3.48Å; S144-Y148 PolarHBondContact O-N 2.89Å; S144-Y148 VanDerWaalsContact O-N 3.15Å |
| 145 | T | 89.6 | Confident | 83.4 | Confident | 42 Ų | 42 | 83.8 Ų | 83.8 | 26% | 0.258 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -55.9 | -50.5 | 176.5 | -67.1 | 0 | 0 | 0 | 0 | 110.7 | A113 L141 S142 V147 Y148 F149 | A113-T145 HydrophobicContact CB-CG2 4.28Å; L141-T145 WeakPolarHBondContact O-CB 3.44Å; L141-T145 PolarHBondContact O-N 2.89Å; L141-T145 PolarHBondContact O-OG1 3.03Å; S142-T145 PolarHBondContact O-N 2.97Å; T145-V147 PolarHBondContact O-N 3.22Å; T145-Y148 PolarHBondContact O-N 3.34Å; T145-F149 HydrophobicContact CG2-CD2 3.54Å; T145-F149 HydrophobicContact CG2-CE2 3.57Å; T145-F149 WeakPolarHBondContact O-CD2 3.44Å; T145-F149 PolarHBondContact O-N 3.13Å |
| 146 | T | 86.6 | Confident | 81.5 | Confident | 68 Ų | 68 | 85.4 Ų | 85.4 | 42% | 0.417 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -57 | -46.7 | -180 | -60.6 | 0 | 0 | 0 | 0 | 112.6 | S142 S143 S144 Y148 F149 Q150 | S142-T146 PolarHBondContact O-N 3.26Å; S142-T146 PolarHBondContact O-OG1 3.28Å; S142-T146 VanDerWaalsContact O-OG1 3.05Å; S143-T146 PolarHBondContact O-N 3.45Å; S144-T146 PolarHBondContact O-N 3.25Å; T146-Y148 VanDerWaalsContact C-N 3.33Å; T146-Y148 PolarHBondContact O-N 3.11Å; T146-F149 PolarHBondContact O-N 2.89Å; T146-Q150 WeakPolarHBondContact O-CB 3.23Å; T146-Q150 PolarHBondContact O-N 2.85Å |
| 147 | V | 82.9 | Confident | 79.4 | Confident | 94 Ų | 94 | 82.7 Ų | 82.7 | 57% | 0.57 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -61.3 | -42.4 | 179.6 | 174.5 | 0 | 0 | 0 | 0 | 111.4 | S143 S144 T145 | S143-V147 WeakPolarHBondContact O-CG2 3.46Å; S143-V147 PolarHBondContact O-N 3.39Å; S144-V147 PolarHBondContact O-N 3.45Å; T145-V147 PolarHBondContact O-N 3.22Å |
| 148 | Y | 80.2 | Confident | 77 | Confident | 160 Ų | 160 | 84.9 Ų | 84.9 | 63% | 0.627 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -68.8 | -43.2 | -179.8 | -77.1 | -67.5 | 0 | 0 | 0 | 112.7 | S144 T145 T146 Y152 | S144-Y148 WeakPolarHBondContact O-CD2 3.48Å; S144-Y148 PolarHBondContact O-N 2.89Å; S144-Y148 VanDerWaalsContact O-N 3.15Å; T145-Y148 PolarHBondContact O-N 3.34Å; T146-Y148 VanDerWaalsContact C-N 3.33Å; T146-Y148 PolarHBondContact O-N 3.11Å; Y148-Y152 WeakPolarHBondContact O-CD2 3.4Å; Y148-Y152 WeakPolarHBondContact O-CE2 3.41Å |
| 149 | F | 82 | Confident | 75.2 | Confident | 32 Ų | 32 | 88.5 Ų | 88.5 | 14% | 0.14 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -87.5 | -20.7 | -173.5 | -58.3 | -68.5 | 0 | 0 | 0 | 114.5 | I106 T145 T146 D151 Y152 Q153 | I106-F149 HydrophobicContact CB-CD1 4.47Å; I106-F149 HydrophobicContact CG1-CD1 4.42Å; I106-F149 HydrophobicContact CG2-CD1 4.15Å; T145-F149 HydrophobicContact CG2-CD2 3.54Å; T145-F149 HydrophobicContact CG2-CE2 3.57Å; T145-F149 WeakPolarHBondContact O-CD2 3.44Å; T145-F149 PolarHBondContact O-N 3.13Å; T146-F149 PolarHBondContact O-N 2.89Å; F149-D151 VanDerWaalsContact C-N 3.34Å; F149-D151 PolarHBondContact O-N 3.32Å; F149-Y152 PolarHBondContact O-N 2.96Å; F149-Q153 PolarHBondContact O-N 3.01Å |
| 150 | Q | 77.2 | Confident | 73 | Confident | 127 Ų | 127 | 88.6 Ų | 88.6 | 59% | 0.593 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -65.9 | -36.9 | -178.6 | -173.6 | 150.1 | 5 | 0 | 0 | 112.8 | T146 Y152 Q153 S154 | T146-Q150 WeakPolarHBondContact O-CB 3.23Å; T146-Q150 PolarHBondContact O-N 2.85Å; Q150-Y152 VanDerWaalsContact C-N 3.31Å; Q150-Y152 PolarHBondContact O-N 3.25Å; Q150-Q153 PolarHBondContact O-N 2.95Å; Q150-S154 PolarHBondContact O-N 3.22Å |
| 151 | D | 71.6 | Confident | 70.5 | Confident | 121 Ų | 121 | 87.8 Ų | 87.8 | 65% | 0.647 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -67.6 | -30.9 | 177.4 | -68.9 | -18.2 | 0 | 0 | 0 | 112.4 | F149 | F149-D151 VanDerWaalsContact C-N 3.34Å; F149-D151 PolarHBondContact O-N 3.32Å |
| 152 | Y | 70.2 | Confident | 67.9 | Low | 79 Ų | 79 | 95.4 Ų | 95.4 | 31% | 0.31 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -83.6 | -25.3 | 176.4 | -60.2 | -77 | 0 | 0 | 0 | 113.4 | E102 L105 I106 Y148 F149 Q150 S155 | E102-Y152 HydrophobicContact CG-CD1 3.97Å; L105-Y152 HydrophobicContact CD2-CE1 3.84Å; L105-Y152 HydrophobicContact CD2-CE2 4.11Å; L105-Y152 VanDerWaalsContact CD2-CZ 3.5Å; L105-Y152 WeakPolarHBondContact CD2-OH 3.46Å; I106-Y152 HydrophobicContact CG1-CG 4.47Å; Y148-Y152 WeakPolarHBondContact O-CD2 3.4Å; Y148-Y152 WeakPolarHBondContact O-CE2 3.41Å; F149-Y152 PolarHBondContact O-N 2.96Å; Q150-Y152 VanDerWaalsContact C-N 3.31Å; Q150-Y152 PolarHBondContact O-N 3.25Å; Y152-S155 PolarHBondContact O-OG 3.48Å |
| 153 | Q | 63.4 | Low | 65.7 | Low | 130 Ų | 130 | 97.9 Ų | 97.9 | 61% | 0.607 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -75.4 | -36.3 | 177.4 | -149 | 96.7 | -5.9 | 0 | 0 | 111.5 | F149 Q150 S155 K156 | F149-Q153 PolarHBondContact O-N 3.01Å; Q150-Q153 PolarHBondContact O-N 2.95Å; Q153-S155 VanDerWaalsContact C-N 3.33Å; Q153-S155 PolarHBondContact O-N 3.23Å; Q153-K156 PolarHBondContact O-N 2.93Å |
| 154 | S | 56.9 | Low | 63.1 | Low | 76 Ų | 76 | 101.4 Ų | 101.4 | 53% | 0.531 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -70.9 | -27.1 | -178.5 | -160.9 | 0 | 0 | 0 | 0 | 113 | Q150 K156 S157 | Q150-S154 PolarHBondContact O-N 3.22Å; S154-K156 VanDerWaalsContact C-N 3.32Å; S154-K156 PolarHBondContact O-N 3.08Å; S154-S157 PolarHBondContact O-OG 3.43Å |
| 155 | S | 58.8 | Low | 61 | Low | 43 Ų | 43 | 107.1 Ų | 107.1 | 30% | 0.301 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.7 | -32.9 | 175.6 | 69.6 | 0 | 0 | 0 | 0 | 112.3 | E102 Y152 Q153 I159 | E102-S155 PolarHBondContact OE1-OG 3.45Å; Y152-S155 PolarHBondContact O-OG 3.48Å; Q153-S155 VanDerWaalsContact C-N 3.33Å; Q153-S155 PolarHBondContact O-N 3.23Å; S155-I159 WeakPolarHBondContact O-CD1 3.26Å; S155-I159 WeakPolarHBondContact O-CG1 3.5Å |
| 156 | K | 56 | Low | 58.8 | Low | 81 Ų | 81 | 114.1 Ų | 114.1 | 35% | 0.352 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -78.7 | -31.8 | -178.3 | -69.9 | -166.7 | 177.7 | 177.4 | 0 | 114.2 | N103 Q153 S154 N158 | N103-K156 PolarHBondContact OD1-NZ 3.32Å; Q153-K156 PolarHBondContact O-N 2.93Å; S154-K156 VanDerWaalsContact C-N 3.32Å; S154-K156 PolarHBondContact O-N 3.08Å; K156-N158 VanDerWaalsContact C-N 3.29Å; K156-N158 PolarHBondContact O-N 3.06Å |
| 157 | S | 50.2 | Low | 56.3 | Low | 82 Ų | 82 | 119.2 Ų | 119.2 | 57% | 0.573 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -72.2 | -24.7 | 177.9 | 59.5 | 0 | 0 | 0 | 0 | 112.8 | S154 | S154-S157 PolarHBondContact O-OG 3.43Å |
| 158 | N | 45.6 | Very low | 54.3 | Low | 121 Ų | 121 | 120.1 Ų | 120.1 | 65% | 0.647 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -82.4 | -28.4 | -178.2 | -149.9 | -34.1 | 0 | 0 | 0 | 113.1 | K156 N160 S161 | K156-N158 VanDerWaalsContact C-N 3.29Å; K156-N158 PolarHBondContact O-N 3.06Å; N158-N160 VanDerWaalsContact C-N 3.3Å; N158-N160 PolarHBondContact O-N 3.45Å; N158-S161 PolarHBondContact O-N 3.43Å |
| 159 | I | 57.1 | Low | 52.1 | Low | 125 Ų | 125 | 117.2 Ų | 117.2 | 64% | 0.641 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -73.2 | -23.8 | -178.5 | -64.8 | 164.6 | 0 | 0 | 0 | 112.1 | S155 S161 | S155-I159 WeakPolarHBondContact O-CD1 3.26Å; S155-I159 WeakPolarHBondContact O-CG1 3.5Å; I159-S161 PolarHBondContact O-N 3.47Å |
| 160 | N | 48 | Very low | 50.2 | Low | 140 Ų | 140 | 123.7 Ų | 123.7 | 75% | 0.749 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -3.2 | 176.8 | -68.6 | -17.8 | 0 | 0 | 0 | 113.9 | N158 | N158-N160 VanDerWaalsContact C-N 3.3Å; N158-N160 PolarHBondContact O-N 3.45Å |
| 161 | S | 42 | Very low | 48.7 | Very low | 96 Ų | 96 | 123.8 Ų | 123.8 | 67% | 0.671 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -6.3 | -176.8 | 178.9 | 0 | 0 | 0 | 0 | 114.3 | N158 I159 | N158-S161 PolarHBondContact O-N 3.43Å; I159-S161 PolarHBondContact O-N 3.47Å |
| 162 | F | 38.6 | Very low | 47 | Very low | 186 Ų | 186 | 121.3 Ų | 121.3 | 82% | 0.816 | 67% | 0.668 | S | S | * | * | trans | -130 | 60.3 | -177.7 | -159.5 | -92.8 | 0 | 0 | 0 | 110.7 | ||||
| 163 | V | 43.3 | Very low | 45.3 | Very low | 126 Ų | 126 | 122.8 Ų | 122.8 | 76% | 0.764 | 69% | 0.69 | S | S | * | * | trans | -110.5 | 102 | 157.3 | 177.9 | 0 | 0 | 0 | 0 | 106 | E165 | V163-E165 PolarHBondContact O-N 3.37Š| ||
| 164 | D | 36.9 | Very low | 44.4 | Very low | 148 Ų | 148 | 122.1 Ų | 122.1 | 79% | 0.791 | 70% | 0.7 | S | S | * | * | trans | -54.1 | 128.7 | 170.2 | -167.4 | 37.7 | 0 | 0 | 0 | 109.4 | H166 | D164-H166 PolarHBondContact O-N 3.05Š| ||
| 165 | E | 44.4 | Very low | 43.8 | Very low | 172 Ų | 172 | 123.7 Ų | 123.7 | 80% | 0.804 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -77.5 | 104.8 | -169.2 | -145.4 | -167.3 | 156.8 | 0 | 0 | 109.6 | V163 | V163-E165 PolarHBondContact O-N 3.37Š|
| 166 | H | 42.5 | Very low | 43.1 | Very low | 189 Ų | 189 | 129.2 Ų | 129.2 | 88% | 0.875 | 73% | 0.734 | S | S | * | * | trans | -174.1 | 81.9 | 152.6 | -89.4 | -56.4 | 0 | 0 | 0 | 109.3 | D164 | D164-H166 PolarHBondContact O-N 3.05Š| ||
| 167 | E | 33.9 | Very low | 42.9 | Very low | 175 Ų | 175 | 130.8 Ų | 130.8 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -173 | 124.1 | 148.7 | -107.7 | -68.9 | 130.4 | 0 | 0 | 108.8 | S169 | E167-S169 PolarHBondContact O-N 3.01Š|
| 168 | P | 41.1 | Very low | 42.5 | Very low | 113 Ų | 113 | 132 Ų | 132 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | trans | -71.1 | 114.2 | -172.4 | 26.8 | -31.5 | 0 | 0 | 0 | 112.2 | I170 | P168-I170 PolarHBondContact O-N 3.22Š| ||
| 169 | S | 34.3 | Very low | 42.3 | Very low | 99 Ų | 99 | 133.1 Ų | 133.1 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | trans | -69 | 110.9 | 170.4 | 163.5 | 0 | 0 | 0 | 0 | 111.5 | E167 | E167-S169 PolarHBondContact O-N 3.01Š| ||
| 170 | I | 42.9 | Very low | 41.3 | Very low | 168 Ų | 168 | 135.1 Ų | 135.1 | 86% | 0.862 | 77% | 0.767 | S | S | * | * | trans | -87.3 | 103.6 | 154.9 | -62.7 | 175.1 | 0 | 0 | 0 | 107.4 | P168 | P168-I170 PolarHBondContact O-N 3.22Š| ||
| 171 | V | 44.3 | Very low | 41 | Very low | 129 Ų | 129 | 135.9 Ų | 135.9 | 78% | 0.782 | 77% | 0.766 | S | S | * | * | trans | -70.7 | 132.4 | 166.4 | 170.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 172 | G | 36.2 | Very low | 40.5 | Very low | 69 Ų | 69 | 136 Ų | 136 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | trans | -179.1 | 74.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 173 | S | 35 | Very low | 40.9 | Very low | 110 Ų | 110 | 133.1 Ų | 133.1 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | trans | -40.6 | 132.3 | 164.8 | 41.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 174 | S | 43.6 | Very low | 40.4 | Very low | 116 Ų | 116 | 135.8 Ų | 135.8 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | trans | 44.5 | 99.6 | 134.7 | -176 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 175 | C | 44.5 | Very low | 40.1 | Very low | 109 Ų | 109 | 133.8 Ų | 133.8 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | trans | -168.1 | 122.3 | 130.8 | 44.2 | 0 | 0 | 0 | 0 | 111.9 | S177 | C175-S177 PolarHBondContact O-N 3.2Š| ||
| 176 | I | 44.1 | Very low | 39.7 | Very low | 160 Ų | 160 | 130.3 Ų | 130.3 | 82% | 0.821 | 76% | 0.763 | S | S | * | * | trans | -57.2 | 121.8 | 156.9 | -77.2 | 164.5 | 0 | 0 | 0 | 107.5 | V178 | I176-V178 HydrophobicContact CG2-CG2 3.68Š| ||
| 177 | S | 51.7 | Low | 39.3 | Very low | 113 Ų | 113 | 129.5 Ų | 129.5 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | trans | -125.5 | 109.7 | 164.5 | -74.3 | 0 | 0 | 0 | 0 | 108.6 | C175 | C175-S177 PolarHBondContact O-N 3.2Š| ||
| 178 | V | 41.7 | Very low | 39.4 | Very low | 109 Ų | 109 | 126.5 Ų | 126.5 | 66% | 0.661 | 76% | 0.761 | S | S | * | * | trans | -90.4 | 123.7 | 177 | -179.4 | 0 | 0 | 0 | 0 | 106.5 | I176 | I176-V178 HydrophobicContact CG2-CG2 3.68Š| ||
| 179 | I | 42.9 | Very low | 39.1 | Very low | 143 Ų | 143 | 127.9 Ų | 127.9 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | trans | 63.2 | 110.1 | 156.2 | -56.8 | 164.4 | 0 | 0 | 0 | 116.4 | ||||
| 180 | K | 35.2 | Very low | 39.6 | Very low | 167 Ų | 167 | 129.6 Ų | 129.6 | 73% | 0.726 | 77% | 0.768 | S | S | * | * | 171.7 | 136.1 | 110.4 | -89.8 | -136.3 | -174.3 | -177.5 | 0 | 114 | |||||
| 181 | H | 42.5 | Very low | 39.4 | Very low | 156 Ų | 156 | 126.4 Ų | 126.4 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | trans | 84.4 | 87.1 | 158.8 | -54.1 | -54 | 0 | 0 | 0 | 119.7 | ||||
| 182 | S | 31.5 | Very low | 38.9 | Very low | 99 Ų | 99 | 128.3 Ų | 128.3 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | trans | -53.7 | 138.1 | 139.3 | 171.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 183 | P | 47.2 | Very low | 38.7 | Very low | 126 Ų | 126 | 132.1 Ų | 132.1 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -108 | 109.4 | 151.1 | 22.1 | -4.9 | 0 | 0 | 0 | 110 | ||||
| 184 | Q | 31.9 | Very low | 38.6 | Very low | 181 Ų | 181 | 131.6 Ų | 131.6 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | trans | -71.4 | 130.3 | 155.9 | -76.7 | 165.9 | -47.6 | 0 | 0 | 109.5 | ||||
| 185 | S | 31 | Very low | 38.2 | Very low | 107 Ų | 107 | 131.5 Ų | 131.5 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | trans | -163.5 | 88.3 | 143 | -176.5 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 186 | S | 35.1 | Very low | 37.6 | Very low | 98 Ų | 98 | 130.5 Ų | 130.5 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | 47.9 | 112.3 | 97.1 | -78.9 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 187 | M | 35 | Very low | 36.9 | Very low | 172 Ų | 172 | 131.8 Ų | 131.8 | 85% | 0.847 | 76% | 0.761 | S | S | * | * | -153.6 | 121.5 | 129.5 | -84 | -54.6 | 100.7 | 0 | 0 | 109.8 | |||||
| 188 | S | 35.1 | Very low | 36 | Very low | 113 Ų | 113 | 134.7 Ų | 134.7 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | trans | 72.8 | 100 | 149.2 | -151.3 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 189 | D | 34.8 | Very low | 35.4 | Very low | 141 Ų | 141 | 133.9 Ų | 133.9 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | 0.8 | 126.6 | 122.2 | -102.4 | -32.7 | 0 | 0 | 0 | 117.6 | |||||
| 190 | V | 46.1 | Very low | 35 | Very low | 135 Ų | 135 | 135.2 Ų | 135.2 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | -168.4 | 129.3 | 88 | -80.5 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 191 | S | 37.2 | Very low | 35.4 | Very low | 101 Ų | 101 | 132.1 Ų | 132.1 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | trans | -64.8 | 167.9 | 160.9 | -54.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 192 | E | 34.6 | Very low | 34.9 | Very low | 169 Ų | 169 | 129.9 Ų | 129.9 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | cis | -177.5 | 168.2 | 28.5 | -148 | 164.6 | -145.6 | 0 | 0 | 108.2 | ||||
| 193 | I | 32.3 | Very low | 34.8 | Very low | 149 Ų | 149 | 135.5 Ų | 135.5 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | trans | 96.4 | 108.5 | 157 | 81.7 | 138.7 | 0 | 0 | 0 | 123.2 | ||||
| 194 | S | 32.9 | Very low | 34.3 | Very low | 99 Ų | 99 | 135 Ų | 135 | 69% | 0.692 | 76% | 0.755 | S | S | * | * | trans | 65.4 | 113.6 | 130.1 | 80.4 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 195 | S | 34.2 | Very low | 34.6 | Very low | 115 Ų | 115 | 133.7 Ų | 133.7 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | 17.6 | 140.6 | 116.7 | -52.8 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 196 | A | 32.1 | Very low | 34.6 | Very low | 88 Ų | 88 | 134.4 Ų | 134.4 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | trans | 87.7 | 103.1 | 141 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 197 | E | 30.6 | Very low | 34.4 | Very low | 186 Ų | 186 | 136.6 Ų | 136.6 | 87% | 0.869 | 75% | 0.748 | S | S | * | * | 61.9 | 98.5 | 110.4 | -157.7 | 168.1 | -150.8 | 0 | 0 | 119.2 | |||||
| 198 | H | 31.7 | Very low | 34.3 | Very low | 174 Ų | 174 | 134.6 Ų | 134.6 | 81% | 0.806 | 75% | 0.75 | S | S | * | * | trans | -172.3 | 115.3 | 136.2 | -146.8 | 59.8 | 0 | 0 | 0 | 114.5 | ||||
| 199 | T | 30.5 | Very low | 34.1 | Very low | 93 Ų | 93 | 140.5 Ų | 140.5 | 57% | 0.571 | 76% | 0.755 | S | S | * | * | trans | 45.3 | 105 | 131.3 | -33.8 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 200 | Q | 34.3 | Very low | 34.1 | Very low | 170 Ų | 170 | 139 Ų | 139 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | 54.3 | 169 | 128.7 | -60.2 | -70.3 | -10.5 | 0 | 0 | 120.7 | |||||
| 201 | P | 43.8 | Very low | 34.3 | Very low | 102 Ų | 102 | 137 Ų | 137 | 66% | 0.662 | 75% | 0.745 | S | S | * | * | cis | -135.4 | 177.1 | -8 | 21.3 | 3.9 | 0 | 0 | 0 | 115.8 | ||||
| 202 | S | 31.8 | Very low | 34 | Very low | 109 Ų | 109 | 139.8 Ų | 139.8 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | trans | 79.8 | 133.8 | 153.5 | 78.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 203 | R | 29.7 | Very low | 34 | Very low | 217 Ų | 217 | 138.7 Ų | 138.7 | 82% | 0.819 | 75% | 0.746 | S | S | * | * | -169.2 | 120.1 | 52.3 | -179.9 | 165.6 | -168 | 165 | 5.1 | 111.3 | |||||
| 204 | I | 36 | Very low | 34.1 | Very low | 116 Ų | 116 | 140.1 Ų | 140.1 | 60% | 0.595 | 75% | 0.747 | S | S | * | * | trans | 65.7 | 113.4 | 130.4 | -61.3 | 179.9 | 0 | 0 | 0 | 119.2 | ||||
| 205 | Q | 36.9 | Very low | 34.2 | Very low | 153 Ų | 153 | 143.9 Ų | 143.9 | 72% | 0.715 | 75% | 0.751 | S | S | * | * | trans | 89.4 | 110.6 | 133.5 | -70.6 | 173.9 | 6 | 0 | 0 | 121.9 | ||||
| 206 | N | 31.8 | Very low | 34.1 | Very low | 123 Ų | 123 | 145.7 Ų | 145.7 | 66% | 0.658 | 75% | 0.747 | S | S | * | * | 78.8 | 116 | 113.6 | -60.9 | -6.2 | 0 | 0 | 0 | 120.4 | |||||
| 207 | N | 30.5 | Very low | 34.2 | Very low | 143 Ų | 143 | 148 Ų | 148 | 77% | 0.765 | 75% | 0.746 | S | S | * | * | 85.2 | 100.1 | 127.9 | -65 | -8.4 | 0 | 0 | 0 | 119.5 | |||||
| 208 | C | 33.6 | Very low | 34.2 | Very low | 130 Ų | 130 | 145.9 Ų | 145.9 | 88% | 0.878 | 74% | 0.739 | S | S | * | * | trans | -8.3 | 130.7 | 135.3 | -53.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 209 | R | 30.8 | Very low | 34.3 | Very low | 238 Ų | 238 | 147.3 Ų | 147.3 | 90% | 0.898 | 74% | 0.743 | S | S | * | * | trans | -162.5 | 111.9 | 139.3 | -167.1 | 166 | -96 | -122.5 | 0.8 | 111.4 | ||||
| 210 | S | 34.6 | Very low | 34.3 | Very low | 109 Ų | 109 | 151.9 Ų | 151.9 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | trans | -79.9 | 162.3 | 146.7 | -160 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 211 | P | 50.7 | Low | 34.3 | Very low | 92 Ų | 92 | 152.5 Ų | 152.5 | 60% | 0.597 | 76% | 0.76 | S | S | * | * | cis | -151.9 | -165.4 | 35.5 | 34.4 | -6.8 | 0 | 0 | 0 | 116.3 | ||||
| 212 | E | 31.2 | Very low | 34.2 | Very low | 161 Ų | 161 | 153.8 Ų | 153.8 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | trans | 118.5 | 104.2 | 147.4 | -72.8 | 151 | -172.1 | 0 | 0 | 119.8 | ||||
| 213 | N | 33.1 | Very low | 34.3 | Very low | 145 Ų | 145 | 155.9 Ų | 155.9 | 78% | 0.775 | 77% | 0.77 | S | S | * | * | 43.4 | 132 | 123.7 | -71.4 | -36.7 | 0 | 0 | 0 | 121.2 | |||||
| 214 | K | 35.9 | Very low | 34.4 | Very low | 180 Ų | 180 | 153.1 Ų | 153.1 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | 172.2 | 125.7 | 112.3 | -89.1 | 170.3 | -173.5 | 179.3 | 0 | 113.7 | |||||
| 215 | F | 34.5 | Very low | 34.2 | Very low | 177 Ų | 177 | 154 Ų | 154 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | 48 | 151.3 | 140.4 | -59 | -64.1 | 0 | 0 | 0 | 122.1 | ||||
| 216 | Q | 32.6 | Very low | 33.7 | Very low | 153 Ų | 153 | 154 Ų | 154 | 72% | 0.715 | 77% | 0.771 | S | S | * | * | cis | -178.5 | 173.1 | -16.4 | -171.2 | 149.4 | 7.9 | 0 | 0 | 107.6 | ||||
| 217 | I | 32.9 | Very low | 33.6 | Very low | 138 Ų | 138 | 159 Ų | 159 | 71% | 0.708 | 78% | 0.781 | S | S | * | * | trans | 100.4 | 96.6 | 154.1 | -59.2 | -177.5 | 0 | 0 | 0 | 116.6 | ||||
| 218 | I | 32.2 | Very low | 33.7 | Very low | 140 Ų | 140 | 159.3 Ų | 159.3 | 72% | 0.718 | 78% | 0.778 | S | S | * | * | 83.6 | 114.6 | 89.9 | -68.3 | 158.8 | 0 | 0 | 0 | 114.1 | |||||
| 219 | K | 32 | Very low | 34.2 | Very low | 205 Ų | 205 | 158.8 Ų | 158.8 | 89% | 0.891 | 77% | 0.773 | S | S | * | * | 179.9 | 135.2 | 110.6 | -124.1 | 162.9 | -177.1 | -175.2 | 0 | 112.8 | |||||
| 220 | Q | 32 | Very low | 34.4 | Very low | 189 Ų | 189 | 157.2 Ų | 157.2 | 88% | 0.883 | 77% | 0.767 | S | S | * | * | trans | -84.7 | 163.7 | 176.5 | -74.4 | 169.4 | -14 | 0 | 0 | 112.3 | ||||
| 221 | E | 34.3 | Very low | 34.4 | Very low | 183 Ų | 183 | 159.4 Ų | 159.4 | 86% | 0.855 | 77% | 0.77 | S | S | * | * | trans | -53.9 | 169.2 | 159.7 | -60.3 | -171.3 | 134 | 0 | 0 | 113 | ||||
| 222 | P | 40.3 | Very low | 33.5 | Very low | 128 Ų | 128 | 161.5 Ų | 161.5 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | -153 | -176.4 | 95.7 | 37.7 | -16.5 | 0 | 0 | 0 | 116.6 | |||||
| 223 | I | 33.7 | Very low | 33.6 | Very low | 153 Ų | 153 | 164.5 Ų | 164.5 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | trans | -80.9 | 172.8 | -166.9 | -153 | 156.7 | 0 | 0 | 0 | 116.7 | ||||
| 224 | E | 32.3 | Very low | 33.5 | Very low | 160 Ų | 160 | 161 Ų | 161 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | 106.5 | 124.6 | 146.5 | -94.5 | -177.5 | -164 | 0 | 0 | 124.1 | ||||
| 225 | L | 31.9 | Very low | 33.5 | Very low | 134 Ų | 134 | 157.9 Ų | 157.9 | 70% | 0.702 | 78% | 0.779 | S | S | * | * | trans | 64.4 | 120.2 | 132.3 | -90.6 | 157.8 | 0 | 0 | 0 | 124.3 | ||||
| 226 | E | 27.8 | Very low | 33.5 | Very low | 153 Ų | 153 | 159.9 Ų | 159.9 | 72% | 0.715 | 78% | 0.783 | S | S | * | * | trans | 66.6 | 119.2 | 132.7 | -114.2 | -152.8 | -155.1 | 0 | 0 | 122.6 | ||||
| 227 | R | 29.1 | Very low | 33.7 | Very low | 227 Ų | 227 | 162 Ų | 162 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | 169.7 | 146 | 108.5 | -95.7 | -179.6 | -84.5 | 173.8 | -8.5 | 113.9 | |||||
| 228 | E | 31.4 | Very low | 33.6 | Very low | 151 Ų | 151 | 159.2 Ų | 159.2 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | -62.8 | 158.6 | 171.1 | -128 | -98.2 | 157.7 | 0 | 0 | 113.2 | R230 | E228-R230 PolarHBondContact OE2-N 3.48Š| ||
| 229 | P | 45.5 | Very low | 34.4 | Very low | 119 Ų | 119 | 158.2 Ų | 158.2 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | -147.4 | 145.9 | 110.8 | 35.8 | -18.6 | 0 | 0 | 0 | 117.3 | |||||
| 230 | R | 35.2 | Very low | 34.7 | Very low | 205 Ų | 205 | 156.6 Ų | 156.6 | 77% | 0.774 | 79% | 0.792 | S | S | * | * | trans | -37.2 | 149.1 | 158.3 | -73.7 | -161.7 | -70 | -141.3 | -4.4 | 117.3 | E228 | E228-R230 PolarHBondContact OE2-N 3.48Š| ||
| 231 | D | 33.7 | Very low | 34.8 | Very low | 154 Ų | 154 | 158.2 Ų | 158.2 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | -175.9 | 109.5 | 118.1 | -87.1 | -23.7 | 0 | 0 | 0 | 108.5 | |||||
| 232 | D | 32.3 | Very low | 35.8 | Very low | 136 Ų | 136 | 153.7 Ų | 153.7 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | 73.7 | 122.5 | 88.5 | -151 | 28 | 0 | 0 | 0 | 116.4 | |||||
| 233 | R | 32.9 | Very low | 35.4 | Very low | 225 Ų | 225 | 154.4 Ų | 154.4 | 85% | 0.849 | 78% | 0.775 | S | S | * | * | trans | 91.5 | 114.9 | 146.4 | -159.9 | 170.7 | -81 | -104.7 | 0.5 | 122 | ||||
| 234 | G | 30.5 | Very low | 35.3 | Very low | 70 Ų | 70 | 158.2 Ų | 158.2 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | trans | 136.9 | 86 | 143.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 235 | S | 35.7 | Very low | 35.6 | Very low | 115 Ų | 115 | 159 Ų | 159 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | 92.3 | 91.8 | 73.3 | -178.7 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 236 | Y | 36.4 | Very low | 35.6 | Very low | 220 Ų | 220 | 156.2 Ų | 156.2 | 86% | 0.863 | 79% | 0.79 | S | S | * | * | trans | -176.9 | 109.3 | 134.5 | 56.2 | -94.8 | 0 | 0 | 0 | 109.7 | ||||
| 237 | K | 35.4 | Very low | 35.7 | Very low | 197 Ų | 197 | 155.4 Ų | 155.4 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | 81.5 | 104.2 | 89 | -159 | -178 | -175.4 | -175.6 | 0 | 115.2 | |||||
| 238 | A | 32.1 | Very low | 36.3 | Very low | 79 Ų | 79 | 150.8 Ų | 150.8 | 65% | 0.653 | 79% | 0.794 | S | S | * | * | trans | 41.8 | 118.6 | 142.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 239 | S | 47.2 | Very low | 36.5 | Very low | 119 Ų | 119 | 152.9 Ų | 152.9 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | 53.7 | 91.4 | 63.8 | -49.2 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 240 | I | 39.1 | Very low | 36.1 | Very low | 172 Ų | 172 | 154 Ų | 154 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | trans | -143.2 | 144.9 | 149.4 | -63.5 | -169.1 | 0 | 0 | 0 | 109.6 | ||||
| 241 | Y | 34.7 | Very low | 36.1 | Very low | 222 Ų | 222 | 150.3 Ų | 150.3 | 87% | 0.871 | 80% | 0.8 | S | S | * | * | trans | -59.8 | 174.5 | -163.9 | -108 | -115.8 | 0 | 0 | 0 | 119.2 | ||||
| 242 | P | 54.3 | Low | 36.2 | Very low | 89 Ų | 89 | 151.9 Ų | 151.9 | 58% | 0.578 | 80% | 0.796 | S | S | * | * | trans | -97.6 | -179.9 | -165.9 | 41.1 | -31.6 | 0 | 0 | 0 | 114.6 | ||||
| 243 | N | 33 | Very low | 36.3 | Very low | 143 Ų | 143 | 151 Ų | 151 | 77% | 0.765 | 80% | 0.8 | S | S | * | * | trans | 109.3 | 120.9 | 166.9 | -61.7 | -44.8 | 0 | 0 | 0 | 114.7 | ||||
| 244 | Y | 31.2 | Very low | 36.3 | Very low | 232 Ų | 232 | 148.4 Ų | 148.4 | 91% | 0.91 | 80% | 0.797 | S | S | * | * | -167 | 146 | 109.3 | -120.4 | -94.8 | 0 | 0 | 0 | 112.1 | |||||
| 245 | M | 38.7 | Very low | 36.5 | Very low | 178 Ų | 178 | 150.6 Ų | 150.6 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | trans | -72.5 | 155.5 | 180 | -64.9 | -171.3 | 69.1 | 0 | 0 | 113.6 | ||||
| 246 | G | 30.7 | Very low | 37 | Very low | 74 Ų | 74 | 150.9 Ų | 150.9 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | trans | 99.5 | 95.6 | 138 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 247 | T | 30.4 | Very low | 37.6 | Very low | 136 Ų | 136 | 146.4 Ų | 146.4 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | trans | -137.4 | 117.7 | 153.8 | 37.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 248 | T | 41 | Very low | 37.6 | Very low | 131 Ų | 131 | 145.2 Ų | 145.2 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -67.6 | 127 | 168 | 45.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 249 | F | 36.6 | Very low | 37.9 | Very low | 194 Ų | 194 | 149.6 Ų | 149.6 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | trans | -147.2 | 122.4 | 150.9 | -90.7 | -75.3 | 0 | 0 | 0 | 111 | ||||
| 250 | N | 37.8 | Very low | 37.4 | Very low | 143 Ų | 143 | 152.7 Ų | 152.7 | 77% | 0.765 | 81% | 0.813 | S | S | * | * | trans | -87.2 | 115.4 | 169.9 | -175.7 | 20.3 | 0 | 0 | 0 | 107.9 | ||||
| 251 | V | 35 | Very low | 37.1 | Very low | 128 Ų | 128 | 151.1 Ų | 151.1 | 78% | 0.776 | 81% | 0.811 | S | S | * | * | trans | -143.3 | 119.8 | 163.9 | 179.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 252 | Y | 36.3 | Very low | 37.2 | Very low | 187 Ų | 187 | 147.8 Ų | 147.8 | 73% | 0.733 | 81% | 0.809 | S | S | * | * | trans | -56 | 138.2 | 171 | -90.7 | -110.3 | 0 | 0 | 0 | 112.2 | ||||
| 253 | S | 32.7 | Very low | 36.3 | Very low | 116 Ų | 116 | 154.9 Ų | 154.9 | 81% | 0.811 | 82% | 0.824 | S | S | * | * | trans | -161.1 | 130.6 | 141.4 | -84.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 254 | H | 34.7 | Very low | 36.2 | Very low | 172 Ų | 172 | 154.2 Ų | 154.2 | 80% | 0.796 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 139.4 | -170.8 | -59.1 | -89.3 | 0 | 0 | 0 | 117 | ||
| 255 | S | 34.6 | Very low | 36.3 | Very low | 115 Ų | 115 | 148.2 Ų | 148.2 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 145 | 161.4 | -62.4 | 0 | 0 | 0 | 0 | 110.7 | ||
| 256 | P | 46.1 | Very low | 36.1 | Very low | 122 Ų | 122 | 144.6 Ų | 144.6 | 79% | 0.792 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 150.1 | -177.7 | 32.7 | -32.7 | 0 | 0 | 0 | 112.5 | ||
| 257 | P | 48.8 | Very low | 36.3 | Very low | 126 Ų | 126 | 149.2 Ų | 149.2 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 149.3 | -178.2 | 31.9 | -31.8 | 0 | 0 | 0 | 113.9 | ||
| 258 | L | 35.6 | Very low | 36.3 | Very low | 172 Ų | 172 | 148.6 Ų | 148.6 | 90% | 0.901 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 131.3 | 177.5 | -65.7 | 161.4 | 0 | 0 | 0 | 113.5 | ||
| 259 | L | 38.1 | Very low | 36.6 | Very low | 171 Ų | 171 | 148.4 Ų | 148.4 | 90% | 0.895 | 82% | 0.824 | S | S | * | * | trans | -84 | 114.1 | 165.1 | -73.5 | 175.4 | 0 | 0 | 0 | 110.3 | V261 | L259-V261 PolarHBondContact O-N 3.16Š| ||
| 260 | Q | 37 | Very low | 36.7 | Very low | 183 Ų | 183 | 151 Ų | 151 | 86% | 0.855 | 83% | 0.828 | S | S | * | * | trans | -69.9 | 118.3 | 163.1 | -79.9 | 177.8 | -40.1 | 0 | 0 | 109.9 | N262 | Q260-N262 PolarHBondContact O-N 3.46Š| ||
| 261 | V | 31.9 | Very low | 37 | Very low | 139 Ų | 139 | 150.1 Ų | 150.1 | 84% | 0.842 | 83% | 0.828 | S | S | * | * | trans | -79.5 | 104.4 | 167.5 | 171.6 | 0 | 0 | 0 | 0 | 108.3 | L259 | L259-V261 PolarHBondContact O-N 3.16Š| ||
| 262 | N | 36.3 | Very low | 37.4 | Very low | 152 Ų | 152 | 149.6 Ų | 149.6 | 81% | 0.813 | 83% | 0.83 | S | S | * | * | trans | -99.6 | 130.5 | 156.9 | -90.2 | -32.1 | 0 | 0 | 0 | 109.4 | Q260 | Q260-N262 PolarHBondContact O-N 3.46Š| ||
| 263 | R | 35.3 | Very low | 38 | Very low | 239 Ų | 239 | 149.2 Ų | 149.2 | 90% | 0.902 | 84% | 0.835 | S | S | * | * | trans | -48.5 | 138 | 172.4 | -76.1 | 173.7 | 162.9 | -158.7 | -2.7 | 111.9 | ||||
| 264 | S | 31.4 | Very low | 38.6 | Very low | 129 Ų | 129 | 150.7 Ų | 150.7 | 90% | 0.902 | 84% | 0.84 | S | S | * | * | trans | -153 | 141.7 | 138.4 | -84.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 265 | S | 34.1 | Very low | 38.7 | Very low | 105 Ų | 105 | 149.3 Ų | 149.3 | 73% | 0.734 | 84% | 0.838 | S | S | * | * | trans | -95 | 146.5 | -169.4 | 51.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 266 | S | 34.7 | Very low | 39.2 | Very low | 102 Ų | 102 | 151 Ų | 151 | 71% | 0.713 | 84% | 0.838 | S | S | * | * | trans | 53.2 | 108.4 | 142.9 | 67.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 267 | N | 33.3 | Very low | 38.7 | Very low | 172 Ų | 172 | 148.5 Ų | 148.5 | 92% | 0.92 | 83% | 0.834 | S | S | * | * | trans | -123.5 | 129 | 138.8 | -91.2 | 7.3 | 0 | 0 | 0 | 108.6 | ||||
| 268 | S | 31.8 | Very low | 38.2 | Very low | 122 Ų | 122 | 149 Ų | 149 | 85% | 0.853 | 83% | 0.834 | S | S | * | * | trans | -111.9 | 136.2 | 162.9 | -85 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 269 | P | 46 | Very low | 38.3 | Very low | 128 Ų | 128 | 147.2 Ų | 147.2 | 83% | 0.831 | 83% | 0.83 | S | S | * | * | trans | -85.6 | 143.2 | 179.4 | 34.4 | -30.5 | 0 | 0 | 0 | 110.3 | ||||
| 270 | R | 40.2 | Very low | 38.5 | Very low | 248 Ų | 248 | 142.2 Ų | 142.2 | 94% | 0.936 | 82% | 0.82 | S | S | * | * | trans | -106 | 130.2 | 170.2 | -154.1 | 179 | 177.6 | 105.3 | -1.2 | 107.6 | ||||
| 271 | T | 43.6 | Very low | 38.6 | Very low | 125 Ų | 125 | 143.5 Ų | 143.5 | 77% | 0.767 | 82% | 0.823 | S | S | * | * | trans | -79.7 | 163.6 | 175.2 | 50.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 272 | S | 42.5 | Very low | 39.4 | Very low | 116 Ų | 116 | 142 Ų | 142 | 81% | 0.811 | 82% | 0.819 | S | S | * | * | trans | 95.3 | 109.2 | 157.2 | 75.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 273 | E | 50.4 | Low | 39.7 | Very low | 180 Ų | 180 | 140 Ų | 140 | 84% | 0.841 | 82% | 0.817 | S | S | * | * | trans | -87.6 | 175.3 | 166.9 | -20.1 | -179.1 | 113.4 | 0 | 0 | 108.8 | ||||
| 274 | T | 43.6 | Very low | 39.7 | Very low | 147 Ų | 147 | 136.4 Ų | 136.4 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | trans | 91.9 | 135.1 | -175.3 | 68 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 275 | D | 38.5 | Very low | 40.1 | Very low | 142 Ų | 142 | 133.5 Ų | 133.5 | 76% | 0.759 | 81% | 0.806 | S | S | * | * | cis | -168 | 168.2 | -6.3 | -179.8 | 29.9 | 0 | 0 | 0 | 106.9 | ||||
| 276 | D | 44.8 | Very low | 40.6 | Very low | 152 Ų | 152 | 137.3 Ų | 137.3 | 81% | 0.813 | 81% | 0.812 | S | S | * | * | trans | -29.5 | 152 | -175.1 | -77.8 | -48.1 | 0 | 0 | 0 | 121.9 | ||||
| 277 | G | 35.6 | Very low | 41.2 | Very low | 68 Ų | 68 | 138.8 Ų | 138.8 | 70% | 0.701 | 81% | 0.812 | S | S | * | * | trans | 129.5 | 111.9 | 133.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 278 | V | 37.1 | Very low | 41.9 | Very low | 136 Ų | 136 | 138.1 Ų | 138.1 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | trans | 71.2 | 116.4 | 130.5 | 160.1 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 279 | V | 38.2 | Very low | 42.6 | Very low | 136 Ų | 136 | 140.6 Ų | 140.6 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | trans | 53.9 | 123.9 | 133.7 | -172.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 280 | G | 42 | Very low | 42.5 | Very low | 66 Ų | 66 | 142.5 Ų | 142.5 | 68% | 0.68 | 80% | 0.799 | S | S | * | * | trans | -74.1 | 177.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 281 | K | 38.5 | Very low | 42.6 | Very low | 209 Ų | 209 | 136.8 Ų | 136.8 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | trans | -177.6 | 144.4 | 144.2 | -101.5 | 163.3 | -177.2 | -179.2 | 0 | 109.5 | ||||
| 282 | S | 48.9 | Very low | 42.7 | Very low | 108 Ų | 108 | 136.8 Ų | 136.8 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | trans | -36.2 | 148.3 | 169.6 | 51.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 283 | S | 42.8 | Very low | 42.9 | Very low | 111 Ų | 111 | 140.9 Ų | 140.9 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | 172.5 | 116.8 | 131 | -121.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 284 | D | 36 | Very low | 42.7 | Very low | 162 Ų | 162 | 135 Ų | 135 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | 89.3 | 127.1 | 86.6 | -173 | 29.9 | 0 | 0 | 0 | 112.2 | |||||
| 285 | G | 39.8 | Very low | 43 | Very low | 68 Ų | 68 | 134.3 Ų | 134.3 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | trans | 135 | 61.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 286 | E | 45.3 | Very low | 43.1 | Very low | 186 Ų | 186 | 134.8 Ų | 134.8 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | trans | -67 | 127.8 | 156.2 | -65.1 | -107.1 | 136.7 | 0 | 0 | 109.3 | ||||
| 287 | D | 45.9 | Very low | 42.6 | Very low | 132 Ų | 132 | 136.4 Ų | 136.4 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | trans | -151.9 | 82.9 | 154.1 | -168.3 | 23.9 | 0 | 0 | 0 | 109.3 | Q289 | D287-Q289 PolarHBondContact O-N 3.38Š| ||
| 288 | E | 49.1 | Very low | 42.7 | Very low | 158 Ų | 158 | 137.9 Ų | 137.9 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | trans | -74.2 | 95.6 | 166.6 | -70.6 | -156.3 | 145.7 | 0 | 0 | 109.7 | Q290 | E288-Q290 PolarHBondContact O-N 3.48Š| ||
| 289 | Q | 46.8 | Very low | 43 | Very low | 174 Ų | 174 | 137.3 Ų | 137.3 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | -75.7 | 98.2 | 170.9 | -134.9 | 170.3 | 50.5 | 0 | 0 | 110.6 | D287 | D287-Q289 PolarHBondContact O-N 3.38Š| ||
| 290 | Q | 43.7 | Very low | 42.9 | Very low | 169 Ų | 169 | 137 Ų | 137 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | -58.5 | 129.6 | 177.6 | -70.7 | 163.2 | 16.2 | 0 | 0 | 112.7 | E288 | E288-Q290 PolarHBondContact O-N 3.48Š| ||
| 291 | V | 41.1 | Very low | 42.9 | Very low | 128 Ų | 128 | 142 Ų | 142 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | -74.4 | 127.4 | 168.1 | -174 | 0 | 0 | 0 | 0 | 108.9 | K293 | V291-K293 PolarHBondContact O-N 3.2Å; V291-K293 VanDerWaalsContact O-N 3.11Å | ||
| 292 | P | 47.2 | Very low | 42.8 | Very low | 124 Ų | 124 | 139.4 Ų | 139.4 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | trans | -63 | 115.1 | 177.9 | -23.4 | 33.8 | 0 | 0 | 0 | 111.9 | G294 | P292-G294 PolarHBondContact O-N 2.95Š| ||
| 293 | K | 45.6 | Very low | 42 | Very low | 203 Ų | 203 | 143 Ų | 143 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 120.5 | 170 | -67.8 | -172.6 | 178.5 | 179.7 | 0 | 109.1 | V291 | V291-K293 PolarHBondContact O-N 3.2Å; V291-K293 VanDerWaalsContact O-N 3.11Å |
| 294 | G | 46.3 | Very low | 41.8 | Very low | 57 Ų | 57 | 145.6 Ų | 145.6 | 59% | 0.588 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 159.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | P292 I296 | P292-G294 PolarHBondContact O-N 2.95Å; G294-I296 PolarHBondContact O-N 3.16Å |
| 295 | P | 50.7 | Low | 41.8 | Very low | 131 Ų | 131 | 144.4 Ų | 144.4 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 133.3 | -171.9 | -19.4 | 32.5 | 0 | 0 | 0 | 113.1 | ||
| 296 | I | 39.1 | Very low | 41.8 | Very low | 153 Ų | 153 | 150.2 Ų | 150.2 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 132.7 | 173.4 | -55.8 | 166.9 | 0 | 0 | 0 | 108.2 | G294 | G294-I296 PolarHBondContact O-N 3.16Š|
| 297 | H | 36 | Very low | 41.3 | Very low | 185 Ų | 185 | 145.8 Ų | 145.8 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | trans | -132.6 | 124.9 | 156.5 | -89.6 | -76.2 | 0 | 0 | 0 | 110.5 | ||||
| 298 | S | 36.6 | Very low | 40.8 | Very low | 99 Ų | 99 | 146 Ų | 146 | 69% | 0.692 | 79% | 0.794 | S | S | * | * | trans | -79.7 | 170.1 | 173.3 | 58 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 299 | P | 42.9 | Very low | 40.1 | Very low | 125 Ų | 125 | 144.4 Ų | 144.4 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | trans | -89.1 | 135 | -159.2 | 34.7 | -30.4 | 0 | 0 | 0 | 112.3 | ||||
| 300 | V | 36.8 | Very low | 40.1 | Very low | 129 Ų | 129 | 145.2 Ų | 145.2 | 78% | 0.782 | 80% | 0.796 | S | S | * | * | trans | -133.6 | 116 | 164.9 | 172.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 301 | E | 40.9 | Very low | 39.8 | Very low | 172 Ų | 172 | 143.1 Ų | 143.1 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -56.6 | 138.4 | 164.6 | -74.8 | 177.7 | 128.2 | 0 | 0 | 109.9 | ||||
| 302 | H | 37.5 | Very low | 39.9 | Very low | 153 Ų | 153 | 142 Ų | 142 | 71% | 0.708 | 79% | 0.79 | S | S | * | * | trans | -173.3 | 120.9 | 134 | -81.6 | -41.6 | 0 | 0 | 0 | 112 | ||||
| 303 | K | 31.8 | Very low | 40.1 | Very low | 185 Ų | 185 | 144 Ų | 144 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | 64.9 | 118.6 | 132.4 | -61.3 | 176.1 | 180 | 175.9 | 0 | 120.4 | V305 | K303-V305 PolarHBondContact O-N 3.46Š| ||
| 304 | N | 39.6 | Very low | 40.6 | Very low | 164 Ų | 164 | 140.8 Ų | 140.8 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | trans | -41 | 123.1 | 163.2 | -80.7 | -21.2 | 0 | 0 | 0 | 114.3 | ||||
| 305 | V | 35.1 | Very low | 41.2 | Very low | 137 Ų | 137 | 143 Ų | 143 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | trans | -145.1 | 131.6 | 147.2 | -177.7 | 0 | 0 | 0 | 0 | 108.5 | K303 | K303-V305 PolarHBondContact O-N 3.46Š| ||
| 306 | H | 38.9 | Very low | 41.8 | Very low | 191 Ų | 191 | 138.2 Ų | 138.2 | 88% | 0.884 | 75% | 0.753 | S | S | * | * | trans | -60 | 131.2 | 178 | -67.8 | -20.9 | 0 | 0 | 0 | 112.8 | ||||
| 307 | A | 35.3 | Very low | 43.3 | Very low | 92 Ų | 92 | 134.9 Ų | 134.9 | 76% | 0.76 | 74% | 0.744 | S | S | * | * | trans | -138.2 | 123.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | V309 | A307-V309 PolarHBondContact O-N 2.96Š| ||
| 308 | T | 35.5 | Very low | 45.3 | Very low | 136 Ų | 136 | 130.5 Ų | 130.5 | 83% | 0.834 | 74% | 0.739 | S | S | * | * | trans | -53.2 | 123.9 | 179.8 | 45.8 | 0 | 0 | 0 | 0 | 112.1 | K310 | T308-K310 PolarHBondContact O-N 3.33Å; T308-K310 VanDerWaalsContact O-N 3.1Å | ||
| 309 | V | 34.1 | Very low | 47.5 | Very low | 126 Ų | 126 | 129.2 Ų | 129.2 | 76% | 0.764 | 72% | 0.724 | S | S | * | * | trans | -64.2 | 104 | 175.2 | 175.5 | 0 | 0 | 0 | 0 | 109.6 | A307 V311 | A307-V309 PolarHBondContact O-N 2.96Å; V309-V311 HydrophobicContact CG1-CG2 4.43Å; V309-V311 PolarHBondContact O-N 3.4Å | ||
| 310 | K | 47.6 | Very low | 49.6 | Very low | 191 Ų | 191 | 127.3 Ų | 127.3 | 83% | 0.83 | 71% | 0.712 | S | S | * | * | trans | -79.2 | 110.8 | 155.5 | -71.5 | -171.5 | 178.9 | -175.6 | 0 | 107 | T308 P312 | T308-K310 PolarHBondContact O-N 3.33Å; T308-K310 VanDerWaalsContact O-N 3.1Å; K310-P312 VanDerWaalsContact O-CD 3.31Å; K310-P312 WeakPolarHBondContact O-CD 3.33Å | ||
| 311 | V | 36.4 | Very low | 51.7 | Low | 124 Ų | 124 | 127.2 Ų | 127.2 | 75% | 0.752 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 120.5 | 173.8 | 178 | 0 | 0 | 0 | 0 | 108.5 | V309 E313 | V309-V311 HydrophobicContact CG1-CG2 4.43Å; V309-V311 PolarHBondContact O-N 3.4Å; V311-E313 PolarHBondContact O-N 3.45Å |
| 312 | P | 43.9 | Very low | 54 | Low | 106 Ų | 106 | 127.7 Ų | 127.7 | 69% | 0.688 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 126.3 | 172.9 | -20.7 | 33.4 | 0 | 0 | 0 | 109.7 | K310 | K310-P312 VanDerWaalsContact O-CD 3.31Å; K310-P312 WeakPolarHBondContact O-CD 3.33Å |
| 313 | E | 52.2 | Low | 56.2 | Low | 165 Ų | 165 | 124.7 Ų | 124.7 | 77% | 0.771 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -50 | 138.5 | 171.3 | -163.1 | 174.6 | 175.7 | 0 | 0 | 110.2 | V311 N315 | V311-E313 PolarHBondContact O-N 3.45Å; E313-N315 PolarHBondContact O-N 3.28Å; E313-N315 PolarHBondContact O-ND2 3.5Å; E313-N315 PolarHBondContact O-OD1 2.71Å; E313-N315 VanDerWaalsContact O-OD1 3.12Å |
| 314 | V | 55.1 | Low | 58.7 | Low | 136 Ų | 136 | 119.7 Ų | 119.7 | 82% | 0.824 | 67% | 0.667 | S | S | * | * | trans | -72.7 | 80.7 | -170.8 | -174.7 | 0 | 0 | 0 | 0 | 109.8 | S316 | V314-S316 PolarHBondContact O-N 3.2Å; V314-S316 VanDerWaalsContact O-N 3.12Å | ||
| 315 | N | 58.3 | Low | 60.7 | Low | 104 Ų | 104 | 116.4 Ų | 116.4 | 56% | 0.556 | 65% | 0.648 | S | S | * | * | trans | -70.9 | 107.8 | -177.3 | -57.7 | -32.8 | 0 | 0 | 0 | 109.6 | E313 S317 A318 | E313-N315 PolarHBondContact O-N 3.28Å; E313-N315 PolarHBondContact O-ND2 3.5Å; E313-N315 PolarHBondContact O-OD1 2.71Å; E313-N315 VanDerWaalsContact O-OD1 3.12Å; N315-S317 PolarHBondContact O-N 3.02Å; N315-A318 PolarHBondContact O-N 3.09Å | ||
| 316 | S | 64 | Low | 63 | Low | 29 Ų | 29 | 116.4 Ų | 116.4 | 20% | 0.203 | 64% | 0.637 | C | S | . | * | G | 310 helix | trans | -62.2 | 3.3 | 175.5 | -66.3 | 0 | 0 | 0 | 0 | 114.2 | V314 R324 | V314-S316 PolarHBondContact O-N 3.2Å; V314-S316 VanDerWaalsContact O-N 3.12Å; S316-R324 WeakPolarHBondContact O-CG 3.42Å |
| 317 | S | 70.2 | Confident | 64.9 | Low | 84 Ų | 84 | 108.5 Ų | 108.5 | 59% | 0.587 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -71 | -30.1 | 178.5 | 57.5 | 0 | 0 | 0 | 0 | 112.9 | N315 L319 R324 | N315-S317 PolarHBondContact O-N 3.02Å; S317-L319 VanDerWaalsContact C-N 3.28Å; S317-L319 PolarHBondContact O-N 2.94Å; S317-R324 PolarHBondContact O-NH2 3.43Å |
| 318 | A | 78.6 | Confident | 66.7 | Low | 92 Ų | 92 | 109.9 Ų | 109.9 | 76% | 0.76 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -76.7 | -9.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | N315 | N315-A318 PolarHBondContact O-N 3.09Š|
| 319 | L | 83.1 | Confident | 68.3 | Low | 72 Ų | 72 | 106.2 Ų | 106.2 | 38% | 0.377 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -80.7 | 143 | 179.5 | -66.6 | 175 | 0 | 0 | 0 | 111.9 | S317 L323 R324 A327 | S317-L319 VanDerWaalsContact C-N 3.28Å; S317-L319 PolarHBondContact O-N 2.94Å; L319-L323 HydrophobicContact CB-CB 4.14Å; L319-R324 PolarHBondContact O-NH2 3.36Å; L319-A327 HydrophobicContact CD1-CB 4.43Å |
| 320 | P | 87.3 | Confident | 69.7 | Low | 86 Ų | 86 | 106 Ų | 106 | 56% | 0.558 | 57% | 0.569 | S | S | * | * | trans | -49.3 | 143.9 | 169.8 | -26.7 | 32.5 | 0 | 0 | 0 | 112.1 | K322 L323 R324 | P320-K322 VanDerWaalsContact C-N 3.26Å; P320-K322 PolarHBondContact O-N 2.93Å; P320-L323 HydrophobicContact CG-CD1 4.33Å; P320-L323 WeakPolarHBondContact O-CA 3.4Å; P320-L323 WeakPolarHBondContact O-CB 3.39Å; P320-L323 PolarHBondContact O-N 3.36Å; P320-R324 PolarHBondContact O-N 2.94Å | ||
| 321 | H | 81.1 | Confident | 70.2 | Confident | 127 Ų | 127 | 101.9 Ų | 101.9 | 59% | 0.588 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -48.7 | -42.3 | -169.2 | -176.2 | 71.1 | 0 | 0 | 0 | 114.2 | L323 R324 I325 | H321-L323 PolarHBondContact O-N 3.46Å; H321-R324 PolarHBondContact O-N 3.22Å; H321-I325 WeakPolarHBondContact NE2-CD1 3.29Å; H321-I325 WeakPolarHBondContact O-CG1 3.5Å; H321-I325 PolarHBondContact O-N 3.12Å |
| 322 | K | 88.6 | Confident | 71.2 | Confident | 181 Ų | 181 | 100.7 Ų | 100.7 | 79% | 0.787 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63 | -39.7 | 176.7 | -69.3 | -169 | 177.2 | -172.8 | 0 | 113.1 | P320 K326 | P320-K322 VanDerWaalsContact C-N 3.26Å; P320-K322 PolarHBondContact O-N 2.93Å; K322-K326 PolarHBondContact O-N 2.88Å |
| 323 | L | 82.6 | Confident | 71.5 | Confident | 90 Ų | 90 | 103.7 Ų | 103.7 | 47% | 0.471 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -74.5 | -33.8 | 177.8 | -67.7 | 179.7 | 0 | 0 | 0 | 111.7 | L319 P320 H321 I325 K326 A327 | L319-L323 HydrophobicContact CB-CB 4.14Å; P320-L323 HydrophobicContact CG-CD1 4.33Å; P320-L323 WeakPolarHBondContact O-CA 3.4Å; P320-L323 WeakPolarHBondContact O-CB 3.39Å; P320-L323 PolarHBondContact O-N 3.36Å; H321-L323 PolarHBondContact O-N 3.46Å; L323-I325 PolarHBondContact O-N 2.82Å; L323-K326 PolarHBondContact O-N 3.47Å; L323-A327 WeakPolarHBondContact O-CB 3.43Å; L323-A327 PolarHBondContact O-N 3.4Å |
| 324 | R | 85.9 | Confident | 71.4 | Confident | 80 Ų | 80 | 101 Ų | 101 | 30% | 0.302 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.4 | -42.8 | 172.6 | -169.1 | -176.3 | -53.7 | 138.9 | 2.4 | 112.2 | S316 S317 L319 P320 H321 K326 K328 | S316-R324 WeakPolarHBondContact O-CG 3.42Å; S317-R324 PolarHBondContact O-NH2 3.43Å; L319-R324 PolarHBondContact O-NH2 3.36Å; P320-R324 PolarHBondContact O-N 2.94Å; H321-R324 PolarHBondContact O-N 3.22Å; R324-K326 VanDerWaalsContact C-N 3.33Å; R324-K328 WeakPolarHBondContact O-CB 3.28Å; R324-K328 WeakPolarHBondContact O-CG 3.47Å; R324-K328 PolarHBondContact O-N 2.95Å |
| 325 | I | 81.5 | Confident | 71.2 | Confident | 95 Ų | 95 | 101.7 Ų | 101.7 | 49% | 0.487 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.7 | -43.9 | 175.3 | -67.6 | 165.6 | 0 | 0 | 0 | 110.4 | H321 L323 K328 A329 | H321-I325 WeakPolarHBondContact NE2-CD1 3.29Å; H321-I325 WeakPolarHBondContact O-CG1 3.5Å; H321-I325 PolarHBondContact O-N 3.12Å; L323-I325 PolarHBondContact O-N 2.82Å; I325-K328 PolarHBondContact O-N 3.24Å; I325-A329 WeakPolarHBondContact O-CB 3.35Å; I325-A329 PolarHBondContact O-N 3.46Å |
| 326 | K | 83.5 | Confident | 70.7 | Confident | 138 Ų | 138 | 100 Ų | 100 | 60% | 0.6 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.1 | -44.5 | 179.8 | -168.1 | -176.2 | 178 | -172.5 | 0 | 112.3 | K322 L323 R324 A329 M330 | K322-K326 PolarHBondContact O-N 2.88Å; L323-K326 PolarHBondContact O-N 3.47Å; R324-K326 VanDerWaalsContact C-N 3.33Å; K326-A329 PolarHBondContact O-N 2.86Å; K326-M330 WeakPolarHBondContact O-CG 3.49Å; K326-M330 PolarHBondContact O-N 3.02Å |
| 327 | A | 79.1 | Confident | 70 | Confident | 24 Ų | 24 | 106.4 Ų | 106.4 | 20% | 0.198 | 57% | 0.566 | C | S | . | * | H | α-helix | trans | -62 | -43.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L319 L323 A329 M330 Q331 | L319-A327 HydrophobicContact CD1-CB 4.43Å; L323-A327 WeakPolarHBondContact O-CB 3.43Å; L323-A327 PolarHBondContact O-N 3.4Å; A327-A329 PolarHBondContact O-N 3.49Å; A327-M330 PolarHBondContact O-N 3.36Å; A327-Q331 PolarHBondContact O-N 3.32Å |
| 328 | K | 72.7 | Confident | 68.8 | Low | 122 Ų | 122 | 108.8 Ų | 108.8 | 53% | 0.53 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.1 | -39.9 | 174.6 | -74.4 | -175 | 169 | -167.7 | 0 | 112.7 | R324 I325 M330 Q331 V332 | R324-K328 WeakPolarHBondContact O-CB 3.28Å; R324-K328 WeakPolarHBondContact O-CG 3.47Å; R324-K328 PolarHBondContact O-N 2.95Å; I325-K328 PolarHBondContact O-N 3.24Å; K328-M330 VanDerWaalsContact C-N 3.28Å; K328-M330 PolarHBondContact O-N 3.02Å; K328-Q331 PolarHBondContact O-N 3.41Å; K328-V332 VanDerWaalsContact O-CG2 3.32Å; K328-V332 WeakPolarHBondContact O-CG2 3.27Å; K328-V332 PolarHBondContact O-N 3.41Å; K328-V332 VanDerWaalsContact O-N 3.11Å |
| 329 | A | 69.2 | Low | 67.2 | Low | 59 Ų | 59 | 111.4 Ų | 111.4 | 49% | 0.488 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.8 | -31.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I325 K326 A327 K333 | I325-A329 WeakPolarHBondContact O-CB 3.35Å; I325-A329 PolarHBondContact O-N 3.46Å; K326-A329 PolarHBondContact O-N 2.86Å; A327-A329 PolarHBondContact O-N 3.49Å; A329-K333 PolarHBondContact O-N 2.86Å |
| 330 | M | 63.6 | Low | 65 | Low | 120 Ų | 120 | 115.2 Ų | 115.2 | 59% | 0.591 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -71.9 | -42 | 174.5 | -72.3 | 179.7 | 62.3 | 0 | 0 | 112.1 | K326 A327 K328 V332 K333 V334 | K326-M330 WeakPolarHBondContact O-CG 3.49Å; K326-M330 PolarHBondContact O-N 3.02Å; A327-M330 PolarHBondContact O-N 3.36Å; K328-M330 VanDerWaalsContact C-N 3.28Å; K328-M330 PolarHBondContact O-N 3.02Å; M330-V332 PolarHBondContact O-N 3.16Å; M330-K333 PolarHBondContact O-N 3.35Å; M330-K333 VanDerWaalsContact O-N 3.15Å; M330-V334 WeakPolarHBondContact O-CG2 3.36Å; M330-V334 PolarHBondContact O-N 3.43Å; M330-V334 VanDerWaalsContact O-N 3.14Å |
| 331 | Q | 57.8 | Low | 62.8 | Low | 105 Ų | 105 | 122.2 Ų | 122.2 | 49% | 0.491 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -60 | -45 | 175.3 | -74 | 168.7 | -3.2 | 0 | 0 | 111.7 | A327 K328 K333 V334 E335 | A327-Q331 PolarHBondContact O-N 3.32Å; K328-Q331 PolarHBondContact O-N 3.41Å; Q331-K333 PolarHBondContact O-N 3.38Å; Q331-V334 PolarHBondContact O-N 3.19Å; Q331-V334 VanDerWaalsContact O-N 3.14Å; Q331-E335 PolarHBondContact O-N 2.95Å |
| 332 | V | 55.9 | Low | 60.5 | Low | 99 Ų | 99 | 123.9 Ų | 123.9 | 60% | 0.6 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -63.4 | -26.7 | 176.7 | 174.4 | 0 | 0 | 0 | 0 | 112.8 | K328 M330 | K328-V332 VanDerWaalsContact O-CG2 3.32Å; K328-V332 WeakPolarHBondContact O-CG2 3.27Å; K328-V332 PolarHBondContact O-N 3.41Å; K328-V332 VanDerWaalsContact O-N 3.11Å; M330-V332 PolarHBondContact O-N 3.16Å |
| 333 | K | 51.3 | Low | 58 | Low | 170 Ų | 170 | 119.2 Ų | 119.2 | 74% | 0.739 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -84.7 | -19.5 | 178.2 | -168.1 | 150.7 | -177 | 174.1 | 0 | 113.4 | A329 M330 Q331 | A329-K333 PolarHBondContact O-N 2.86Å; M330-K333 PolarHBondContact O-N 3.35Å; M330-K333 VanDerWaalsContact O-N 3.15Å; Q331-K333 PolarHBondContact O-N 3.38Å |
| 334 | V | 49 | Very low | 55.9 | Low | 109 Ų | 109 | 120.7 Ų | 120.7 | 66% | 0.661 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -84.2 | -41.4 | 173.8 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | M330 Q331 A336 M337 | M330-V334 WeakPolarHBondContact O-CG2 3.36Å; M330-V334 PolarHBondContact O-N 3.43Å; M330-V334 VanDerWaalsContact O-N 3.14Å; Q331-V334 PolarHBondContact O-N 3.19Å; Q331-V334 VanDerWaalsContact O-N 3.14Å; V334-A336 PolarHBondContact O-N 3.37Å; V334-M337 PolarHBondContact O-N 3.42Å |
| 335 | E | 51.1 | Low | 53.3 | Low | 149 Ų | 149 | 125.5 Ų | 125.5 | 70% | 0.696 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -68.4 | -18.1 | 177.8 | -70.6 | -177.3 | 174.5 | 0 | 0 | 113.9 | Q331 M337 | Q331-E335 PolarHBondContact O-N 2.95Å; E335-M337 VanDerWaalsContact C-N 3.28Å; E335-M337 PolarHBondContact O-N 2.85Å |
| 336 | A | 48.8 | Very low | 51.2 | Low | 69 Ų | 69 | 130.2 Ų | 130.2 | 57% | 0.57 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -6.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | V334 | V334-A336 PolarHBondContact O-N 3.37Š|
| 337 | M | 48.6 | Very low | 48.8 | Very low | 163 Ų | 163 | 131.1 Ų | 131.1 | 80% | 0.803 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.9 | 0.3 | -175.9 | -67.5 | -76.9 | 94.7 | 0 | 0 | 113.9 | V334 E335 | V334-M337 PolarHBondContact O-N 3.42Å; E335-M337 VanDerWaalsContact C-N 3.28Å; E335-M337 PolarHBondContact O-N 2.85Å |
| 338 | D | 44.6 | Very low | 46.4 | Very low | 134 Ų | 134 | 135.4 Ų | 135.4 | 72% | 0.717 | 71% | 0.714 | S | S | * | * | trans | -148.1 | 86 | -174.5 | -148.1 | 13 | 0 | 0 | 0 | 110.5 | ||||
| 339 | N | 45.5 | Very low | 44.4 | Very low | 148 Ų | 148 | 134.8 Ų | 134.8 | 79% | 0.791 | 73% | 0.725 | S | S | * | * | trans | -155.9 | 29 | 169.5 | -132.9 | -3.1 | 0 | 0 | 0 | 114.9 | ||||
| 340 | D | 38.3 | Very low | 43.6 | Very low | 151 Ų | 151 | 136.9 Ų | 136.9 | 81% | 0.807 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -141.9 | 62.6 | 174 | -73 | -45.6 | 0 | 0 | 0 | 109.8 | ||
| 341 | Y | 41 | Very low | 42 | Very low | 234 Ų | 234 | 138.8 Ų | 138.8 | 92% | 0.918 | 75% | 0.745 | S | S | * | * | trans | -176.9 | 87.2 | 155.9 | -103.9 | -74 | 0 | 0 | 0 | 109.9 | ||||
| 342 | D | 31.3 | Very low | 41 | Very low | 162 Ų | 162 | 140.2 Ų | 140.2 | 87% | 0.866 | 76% | 0.756 | S | S | * | * | trans | -155.9 | 91.8 | 142.9 | -145.6 | -10.1 | 0 | 0 | 0 | 111.3 | ||||
| 343 | A | 36.9 | Very low | 39.9 | Very low | 83 Ų | 83 | 143.5 Ų | 143.5 | 69% | 0.686 | 77% | 0.767 | S | S | * | * | trans | -125.8 | 111 | 157.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 344 | T | 37.9 | Very low | 39.1 | Very low | 120 Ų | 120 | 140.3 Ų | 140.3 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | trans | 71 | 105 | 154.5 | 63.9 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 345 | Q | 32.2 | Very low | 38.4 | Very low | 182 Ų | 182 | 140.3 Ų | 140.3 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | 160.3 | 114.5 | 104.3 | -84 | -174.4 | 6.4 | 0 | 0 | 112.9 | |||||
| 346 | K | 36.7 | Very low | 37.9 | Very low | 193 Ų | 193 | 142.3 Ų | 142.3 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | trans | -3 | 121.2 | 140.6 | -86.1 | -171 | 178.7 | -175.7 | 0 | 119.2 | ||||
| 347 | L | 33.5 | Very low | 37.1 | Very low | 157 Ų | 157 | 150.4 Ų | 150.4 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | 133.2 | 135.7 | 116 | -80.5 | 162.9 | 0 | 0 | 0 | 117.8 | |||||
| 348 | S | 29.1 | Very low | 36 | Very low | 114 Ų | 114 | 149.6 Ų | 149.6 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | 70 | 113.3 | 153.2 | 79.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 349 | S | 30.8 | Very low | 35.4 | Very low | 109 Ų | 109 | 151.5 Ų | 151.5 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | -79.3 | -175.4 | 138.3 | 65.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 350 | P | 51.5 | Low | 34.6 | Very low | 104 Ų | 104 | 152.4 Ų | 152.4 | 68% | 0.675 | 79% | 0.789 | S | S | * | * | cis | -136.1 | 165.9 | -10.3 | 37.9 | -21.6 | 0 | 0 | 0 | 113 | ||||
| 351 | I | 31.1 | Very low | 34.4 | Very low | 159 Ų | 159 | 152.5 Ų | 152.5 | 82% | 0.815 | 79% | 0.788 | S | S | * | * | trans | -170.3 | 141.4 | 136.8 | -134.9 | 75.3 | 0 | 0 | 0 | 113.4 | M353 | I351-M353 HydrophobicContact CG2-CG 4.49Š| ||
| 352 | D | 35.5 | Very low | 33.7 | Very low | 136 Ų | 136 | 150.1 Ų | 150.1 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -76.8 | 140.8 | 170.2 | 176.7 | 25.1 | 0 | 0 | 0 | 111.3 | ||||
| 353 | M | 32.5 | Very low | 33.9 | Very low | 168 Ų | 168 | 151.1 Ų | 151.1 | 83% | 0.828 | 78% | 0.782 | S | S | * | * | trans | -153.3 | 103 | 161.9 | -75.5 | -53.1 | -83.4 | 0 | 0 | 112.4 | I351 | I351-M353 HydrophobicContact CG2-CG 4.49Š| ||
| 354 | S | 36.1 | Very low | 33.7 | Very low | 103 Ų | 103 | 156.2 Ų | 156.2 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | trans | -63 | 136.2 | 146.7 | 160.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 355 | S | 34.1 | Very low | 33.2 | Very low | 109 Ų | 109 | 154.2 Ų | 154.2 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | 178.7 | 144.6 | 132.3 | -169.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 356 | K | 39.8 | Very low | 33.2 | Very low | 191 Ų | 191 | 150.1 Ų | 150.1 | 83% | 0.83 | 79% | 0.792 | S | S | * | * | trans | -52.3 | 153.1 | 166.9 | -101.6 | 167.1 | 165.2 | 173.3 | 0 | 115.8 | ||||
| 357 | R | 31.5 | Very low | 33.2 | Very low | 238 Ų | 238 | 150.6 Ų | 150.6 | 90% | 0.898 | 80% | 0.797 | S | S | * | * | trans | 163.8 | 126.3 | 131.4 | -89.8 | -174.2 | -67.9 | 169.9 | 0.3 | 107.4 | ||||
| 358 | H | 26.3 | Very low | 33 | Very low | 147 Ų | 147 | 148.2 Ų | 148.2 | 68% | 0.681 | 79% | 0.793 | S | S | * | * | 78.6 | 126.3 | 54.8 | -154.8 | -66.8 | 0 | 0 | 0 | 115.4 | |||||
| 359 | F | 32 | Very low | 33.5 | Very low | 173 Ų | 173 | 150.6 Ų | 150.6 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | trans | 74 | 142.1 | 175.2 | -81.9 | -55.3 | 0 | 0 | 0 | 116.2 | ||||
| 360 | E | 29.2 | Very low | 33.6 | Very low | 167 Ų | 167 | 150.5 Ų | 150.5 | 78% | 0.78 | 79% | 0.791 | S | S | * | * | cis | -161.4 | 167.9 | 10 | -164.2 | 159 | -178.2 | 0 | 0 | 111.3 | ||||
| 361 | L | 32.7 | Very low | 32.7 | Very low | 153 Ų | 153 | 154.7 Ų | 154.7 | 80% | 0.801 | 80% | 0.801 | S | S | * | * | trans | -59.8 | 136.1 | 176.7 | -172.7 | 80.5 | 0 | 0 | 0 | 115.5 | ||||
| 362 | E | 27.3 | Very low | 32.6 | Very low | 185 Ų | 185 | 152.2 Ų | 152.2 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | trans | -160 | 139.3 | 138 | -135.7 | 176.1 | 167.1 | 0 | 0 | 113.8 | ||||
| 363 | K | 35.1 | Very low | 32.6 | Very low | 182 Ų | 182 | 149.8 Ų | 149.8 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | -90.2 | 140.5 | -177.2 | -87.2 | 172.5 | 166 | 175 | 0 | 110.8 | ||||
| 364 | H | 32.8 | Very low | 32.8 | Very low | 191 Ų | 191 | 149.5 Ų | 149.5 | 88% | 0.884 | 79% | 0.788 | S | S | * | * | trans | -165 | 139.8 | 132 | -65.5 | -61.1 | 0 | 0 | 0 | 104.9 | ||||
| 365 | G | 27.9 | Very low | 32.8 | Very low | 77 Ų | 77 | 150.6 Ų | 150.6 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | cis | 139.4 | 117.8 | 30.8 | 0 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 366 | A | 32.4 | Very low | 33.3 | Very low | 96 Ų | 96 | 150.3 Ų | 150.3 | 79% | 0.793 | 79% | 0.786 | S | S | * | * | trans | -60.5 | 153.4 | -160.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 367 | Q | 36 | Very low | 33 | Very low | 203 Ų | 203 | 149.9 Ų | 149.9 | 95% | 0.949 | 78% | 0.784 | S | S | * | * | -163.3 | 141.6 | 120.9 | -102.2 | 167.7 | 51.3 | 0 | 0 | 112.7 | |||||
| 368 | S | 30.2 | Very low | 33.6 | Very low | 107 Ų | 107 | 143.6 Ų | 143.6 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | -90.4 | 133.9 | -167.4 | 148.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 369 | L | 37.8 | Very low | 34.5 | Very low | 165 Ų | 165 | 141.9 Ų | 141.9 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | trans | -154 | 128.1 | 140.4 | -162.2 | 60.1 | 0 | 0 | 0 | 111.6 | ||||
| 370 | V | 33.6 | Very low | 35.1 | Very low | 106 Ų | 106 | 140.9 Ų | 140.9 | 64% | 0.642 | 77% | 0.774 | S | S | * | * | trans | -68.6 | 130.2 | -174.2 | 175 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 371 | H | 32.8 | Very low | 35.7 | Very low | 193 Ų | 193 | 139 Ų | 139 | 89% | 0.894 | 77% | 0.773 | S | S | * | * | trans | -151.8 | 111.9 | 134.9 | -85.8 | -63.4 | 0 | 0 | 0 | 110.2 | ||||
| 372 | S | 29.1 | Very low | 36.5 | Very low | 106 Ų | 106 | 137.6 Ų | 137.6 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | trans | -80.4 | 132.3 | 168.1 | 155.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 373 | S | 34.7 | Very low | 37.1 | Very low | 86 Ų | 86 | 133.2 Ų | 133.2 | 60% | 0.601 | 75% | 0.754 | S | S | * | * | 177.3 | 140.8 | 112.7 | 60.1 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 374 | H | 36.9 | Very low | 38 | Very low | 162 Ų | 162 | 131.5 Ų | 131.5 | 75% | 0.75 | 75% | 0.752 | S | S | * | * | trans | 108.2 | 93.3 | 154.5 | -54.9 | -63.3 | 0 | 0 | 0 | 121.3 | ||||
| 375 | T | 35.8 | Very low | 38.7 | Very low | 126 Ų | 126 | 129.8 Ų | 129.8 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | trans | 65.2 | 106.8 | 135.7 | 59.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 376 | P | 44.3 | Very low | 39.3 | Very low | 102 Ų | 102 | 132.5 Ų | 132.5 | 66% | 0.662 | 74% | 0.741 | S | S | * | * | trans | -94.4 | 164.7 | 153 | 31.9 | -18.9 | 0 | 0 | 0 | 111.4 | ||||
| 377 | F | 34.6 | Very low | 39.8 | Very low | 183 Ų | 183 | 139.1 Ų | 139.1 | 80% | 0.803 | 75% | 0.745 | S | S | * | * | trans | 97.5 | 74.9 | 171.1 | -49.8 | -65.8 | 0 | 0 | 0 | 117.6 | V379 | F377-V379 HydrophobicContact CD1-CG2 4.25Š| ||
| 378 | S | 43.2 | Very low | 40 | Very low | 106 Ų | 106 | 134.2 Ų | 134.2 | 74% | 0.741 | 73% | 0.733 | S | S | * | * | trans | -99 | 97.8 | 137.1 | -171.5 | 0 | 0 | 0 | 0 | 107.3 | Q380 | S378-Q380 PolarHBondContact O-N 2.87Š| ||
| 379 | V | 46.7 | Very low | 40.5 | Very low | 110 Ų | 110 | 137.3 Ų | 137.3 | 67% | 0.667 | 74% | 0.741 | S | S | * | * | trans | -88.7 | 96.3 | 166.5 | 179.3 | 0 | 0 | 0 | 0 | 106.3 | F377 V381 | F377-V379 HydrophobicContact CD1-CG2 4.25Å; V379-V381 HydrophobicContact CG1-CG2 4.18Å; V379-V381 PolarHBondContact O-N 3.18Å | ||
| 380 | Q | 44.6 | Very low | 40.5 | Very low | 153 Ų | 153 | 138.6 Ų | 138.6 | 72% | 0.715 | 74% | 0.74 | S | S | * | * | trans | -71.3 | 107.7 | 166.9 | -69 | -176.2 | -1.2 | 0 | 0 | 107.9 | S378 T382 | S378-Q380 PolarHBondContact O-N 2.87Å; Q380-T382 PolarHBondContact O-N 2.96Å; Q380-T382 VanDerWaalsContact O-N 3.16Å | ||
| 381 | V | 40.9 | Very low | 40.7 | Very low | 126 Ų | 126 | 139.3 Ų | 139.3 | 76% | 0.764 | 75% | 0.746 | S | S | * | * | trans | -82 | 88.8 | 168.6 | -177 | 0 | 0 | 0 | 0 | 107.4 | V379 | V379-V381 HydrophobicContact CG1-CG2 4.18Å; V379-V381 PolarHBondContact O-N 3.18Å | ||
| 382 | T | 49.3 | Very low | 40.6 | Very low | 125 Ų | 125 | 138.8 Ų | 138.8 | 77% | 0.767 | 74% | 0.744 | S | S | * | * | trans | -107.2 | 65.6 | 166.7 | 56.7 | 0 | 0 | 0 | 0 | 108.8 | Q380 | Q380-T382 PolarHBondContact O-N 2.96Å; Q380-T382 VanDerWaalsContact O-N 3.16Å | ||
| 383 | N | 41 | Very low | 40.7 | Very low | 92 Ų | 92 | 140.9 Ų | 140.9 | 49% | 0.492 | 75% | 0.746 | S | S | . | * | trans | -150.4 | 107.5 | 164.9 | -166.4 | -1.5 | 0 | 0 | 0 | 109.6 | Q385 | N383-Q385 WeakPolarHBondContact OD1-CB 3.47Å; N383-Q385 PolarHBondContact OD1-N 2.87Å; N383-Q385 VanDerWaalsContact OD1-N 3.13Å | ||
| 384 | I | 52.9 | Low | 40.5 | Very low | 146 Ų | 146 | 149 Ų | 149 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | trans | -108.5 | 16.2 | 178.7 | 19 | 168.7 | 0 | 0 | 0 | 111.3 | D386 | I384-D386 VanDerWaalsContact C-N 3.33Å; I384-D386 PolarHBondContact O-N 2.92Å | ||
| 385 | Q | 48.2 | Very low | 40.4 | Very low | 156 Ų | 156 | 149.9 Ų | 149.9 | 73% | 0.729 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -10.3 | 179.8 | -111.7 | 80.6 | 15.8 | 0 | 0 | 114.9 | N383 | N383-Q385 WeakPolarHBondContact OD1-CB 3.47Å; N383-Q385 PolarHBondContact OD1-N 2.87Å; N383-Q385 VanDerWaalsContact OD1-N 3.13Å |
| 386 | D | 41.1 | Very low | 40.1 | Very low | 133 Ų | 133 | 152.3 Ų | 152.3 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | 8.6 | -174 | -63.2 | -28.2 | 0 | 0 | 0 | 114.9 | I384 S388 | I384-D386 VanDerWaalsContact C-N 3.33Å; I384-D386 PolarHBondContact O-N 2.92Å; D386-S388 VanDerWaalsContact C-N 3.32Å; D386-S388 PolarHBondContact O-N 3.45Å |
| 387 | W | 41.7 | Very low | 39.5 | Very low | 235 Ų | 235 | 157 Ų | 157 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | trans | -91 | 28.9 | -179.7 | -79.7 | 69.5 | 0 | 0 | 0 | 114.6 | ||||
| 388 | S | 40.1 | Very low | 39.4 | Very low | 100 Ų | 100 | 156 Ų | 156 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | trans | -106.1 | 70.2 | 172.7 | 68.6 | 0 | 0 | 0 | 0 | 112 | D386 K390 | D386-S388 VanDerWaalsContact C-N 3.32Å; D386-S388 PolarHBondContact O-N 3.45Å; S388-K390 PolarHBondContact O-N 3.03Å | ||
| 389 | L | 41.7 | Very low | 38.9 | Very low | 172 Ų | 172 | 158.7 Ų | 158.7 | 90% | 0.901 | 78% | 0.784 | S | S | * | * | trans | -84.9 | 108.6 | 160.1 | -70.9 | 174.1 | 0 | 0 | 0 | 108.5 | ||||
| 390 | K | 36.7 | Very low | 38.2 | Very low | 193 Ų | 193 | 160.2 Ų | 160.2 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | trans | -59.9 | 141.1 | 167.7 | -72.5 | -84.4 | -177.6 | 172.6 | 0 | 109.2 | S388 E392 | S388-K390 PolarHBondContact O-N 3.03Å; K390-E392 PolarHBondContact O-N 3.32Å | ||
| 391 | P | 37.9 | Very low | 37.6 | Very low | 121 Ų | 121 | 158.5 Ų | 158.5 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | trans | -71.6 | 114.4 | 171.4 | -9.2 | 24.7 | 0 | 0 | 0 | 109.3 | ||||
| 392 | E | 31.4 | Very low | 37.1 | Very low | 182 Ų | 182 | 160.1 Ų | 160.1 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | trans | -76.4 | 129.1 | 170.6 | -163.7 | 153.3 | -169.4 | 0 | 0 | 109.1 | K390 W394 | K390-E392 PolarHBondContact O-N 3.32Å; E392-W394 PolarHBondContact O-N 3.23Å | ||
| 393 | L | 30.3 | Very low | 36.3 | Very low | 150 Ų | 150 | 162 Ų | 162 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | -60.2 | 119.5 | -177.3 | -82.2 | 89.1 | 0 | 0 | 0 | 110.6 | H395 | L393-H395 PolarHBondContact O-N 2.91Š| ||
| 394 | W | 31.4 | Very low | 35.8 | Very low | 255 Ų | 255 | 164.4 Ų | 164.4 | 97% | 0.966 | 80% | 0.797 | S | S | * | * | trans | -69.9 | 112.3 | 164.3 | -76 | 86.1 | 0 | 0 | 0 | 109.2 | E392 Q396 | E392-W394 PolarHBondContact O-N 3.23Å; W394-Q396 PolarHBondContact O-N 3.08Å | ||
| 395 | H | 33.8 | Very low | 34.7 | Very low | 181 Ų | 181 | 162.9 Ų | 162.9 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | trans | -63.8 | 119.5 | 175.2 | -79.8 | -78.4 | 0 | 0 | 0 | 111.6 | L393 K397 | L393-H395 PolarHBondContact O-N 2.91Å; H395-K397 PolarHBondContact O-N 3.31Å | ||
| 396 | Q | 30.3 | Very low | 33.7 | Very low | 178 Ų | 178 | 159.1 Ų | 159.1 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | -66.1 | 110.6 | 166.5 | -175.4 | 171.2 | 3.5 | 0 | 0 | 109.5 | W394 | W394-Q396 PolarHBondContact O-N 3.08Š| ||
| 397 | K | 32.2 | Very low | 33.1 | Very low | 201 Ų | 201 | 159 Ų | 159 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | -99.9 | 105.4 | 163 | -92.3 | -177.1 | 176.7 | 179 | 0 | 108.6 | H395 L399 | H395-K397 PolarHBondContact O-N 3.31Å; K397-L399 PolarHBondContact O-N 3.24Å | ||
| 398 | E | 32.3 | Very low | 32.6 | Very low | 160 Ų | 160 | 158 Ų | 158 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | trans | -54.7 | 124.3 | 163.9 | -73.1 | 176.1 | 127.9 | 0 | 0 | 110.1 | ||||
| 399 | L | 32 | Very low | 32.1 | Very low | 164 Ų | 164 | 159.9 Ų | 159.9 | 86% | 0.859 | 82% | 0.82 | S | S | * | * | trans | -114.4 | 93.6 | 154 | -92.3 | 168.8 | 0 | 0 | 0 | 107.5 | K397 V401 | K397-L399 PolarHBondContact O-N 3.24Å; L399-V401 PolarHBondContact O-N 3.47Å | ||
| 400 | N | 31.8 | Very low | 31.5 | Very low | 141 Ų | 141 | 155.4 Ų | 155.4 | 75% | 0.754 | 82% | 0.815 | S | S | * | * | trans | -80.5 | 100.2 | 170.9 | -153.9 | -40.8 | 0 | 0 | 0 | 107.2 | ||||
| 401 | V | 33.3 | Very low | 31.2 | Very low | 117 Ų | 117 | 152.1 Ų | 152.1 | 71% | 0.709 | 81% | 0.811 | S | S | * | * | trans | -122 | 98.5 | 167.7 | -178.5 | 0 | 0 | 0 | 0 | 108.9 | L399 I403 | L399-V401 PolarHBondContact O-N 3.47Å; V401-I403 PolarHBondContact O-N 3Å | ||
| 402 | K | 30.1 | Very low | 31.1 | Very low | 160 Ų | 160 | 153.2 Ų | 153.2 | 70% | 0.696 | 82% | 0.815 | S | S | * | * | trans | -58.2 | 116.2 | 168.1 | -176.6 | 178.7 | -177.7 | -177.3 | 0 | 110.1 | ||||
| 403 | I | 31.3 | Very low | 31.2 | Very low | 164 Ų | 164 | 152.2 Ų | 152.2 | 84% | 0.841 | 81% | 0.81 | S | S | * | * | trans | -90.3 | 109.3 | 167.1 | -62 | 177.8 | 0 | 0 | 0 | 107.9 | V401 | V401-I403 PolarHBondContact O-N 3Š| ||
| 404 | Q | 31.4 | Very low | 31.3 | Very low | 144 Ų | 144 | 152.2 Ų | 152.2 | 67% | 0.673 | 81% | 0.809 | S | S | * | * | trans | -128 | 115.1 | 163.9 | -98 | -177.6 | -4.6 | 0 | 0 | 109.5 | ||||
| 405 | S | 28.7 | Very low | 31.4 | Very low | 113 Ų | 113 | 148.3 Ų | 148.3 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | 43.3 | 131.7 | 140 | 63.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 406 | G | 27.8 | Very low | 31.3 | Very low | 78 Ų | 78 | 145.7 Ų | 145.7 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | 148.3 | 99.1 | 138 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 407 | C | 28.5 | Very low | 31.3 | Very low | 131 Ų | 131 | 145.3 Ų | 145.3 | 89% | 0.885 | 80% | 0.795 | S | S | * | * | trans | -57.4 | 141.8 | 160.7 | -61.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 408 | K | 31.1 | Very low | 31.2 | Very low | 212 Ų | 212 | 142.5 Ų | 142.5 | 92% | 0.922 | 79% | 0.788 | S | S | * | * | trans | -164.8 | 126.8 | 145.3 | -106.1 | 162 | -169.7 | -173.9 | 0 | 112.4 | ||||
| 409 | T | 29.2 | Very low | 31.1 | Very low | 141 Ų | 141 | 145.3 Ų | 145.3 | 87% | 0.865 | 79% | 0.793 | S | S | * | * | trans | -58.6 | 143.5 | 170 | -55.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 410 | G | 29.1 | Very low | 31.2 | Very low | 78 Ų | 78 | 144 Ų | 144 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -163.5 | 105.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 411 | V | 32.3 | Very low | 31.2 | Very low | 123 Ų | 123 | 143.7 Ų | 143.7 | 75% | 0.745 | 79% | 0.79 | S | S | * | * | trans | -82.2 | 129.6 | 176.7 | 168.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 412 | V | 33.8 | Very low | 31.5 | Very low | 144 Ų | 144 | 142.8 Ų | 142.8 | 87% | 0.873 | 79% | 0.789 | S | S | * | * | trans | -150.9 | 131.3 | 147.3 | 177 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 413 | E | 34.2 | Very low | 32 | Very low | 162 Ų | 162 | 143.5 Ų | 143.5 | 76% | 0.757 | 80% | 0.795 | S | S | * | * | trans | -78.9 | 163.3 | -176 | -65.5 | 172.6 | 132.6 | 0 | 0 | 114.7 | ||||
| 414 | I | 33.2 | Very low | 32.6 | Very low | 149 Ų | 149 | 139.2 Ų | 139.2 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | trans | 137.4 | 93.7 | 134.5 | -65.9 | 167.2 | 0 | 0 | 0 | 112.9 | ||||
| 415 | K | 32.6 | Very low | 33.1 | Very low | 174 Ų | 174 | 140.5 Ų | 140.5 | 76% | 0.757 | 79% | 0.785 | S | S | * | * | 78.5 | 107.4 | 118.3 | -145 | 171.3 | -173.5 | 179.3 | 0 | 121.2 | |||||
| 416 | D | 31.8 | Very low | 33.7 | Very low | 125 Ų | 125 | 140.6 Ų | 140.6 | 67% | 0.668 | 78% | 0.777 | S | S | * | * | trans | 53.3 | 100.1 | 137.9 | -51.1 | -22.7 | 0 | 0 | 0 | 119.8 | ||||
| 417 | N | 30.2 | Very low | 34.7 | Very low | 171 Ų | 171 | 143.1 Ų | 143.1 | 91% | 0.914 | 77% | 0.771 | S | S | * | * | trans | -148.9 | 119.8 | 131.7 | -103 | -45.5 | 0 | 0 | 0 | 110.8 | ||||
| 418 | I | 31.1 | Very low | 35.4 | Very low | 141 Ų | 141 | 146.4 Ų | 146.4 | 72% | 0.723 | 77% | 0.767 | S | S | * | * | trans | -81.1 | 115.1 | 179.7 | -69 | 166 | 0 | 0 | 0 | 108.3 | ||||
| 419 | Y | 30.7 | Very low | 36.2 | Very low | 219 Ų | 219 | 142.2 Ų | 142.2 | 86% | 0.859 | 75% | 0.754 | S | S | * | * | trans | -142.3 | 102.2 | 148.4 | -137.7 | -93.3 | 0 | 0 | 0 | 108 | V421 | Y419-V421 PolarHBondContact O-N 2.88Š| ||
| 420 | N | 33.3 | Very low | 37.2 | Very low | 138 Ų | 138 | 143.3 Ų | 143.3 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | trans | -74.9 | 117.3 | -180 | -69.1 | -57 | 0 | 0 | 0 | 109.9 | ||||
| 421 | V | 31.3 | Very low | 38.3 | Very low | 133 Ų | 133 | 145 Ų | 145 | 81% | 0.806 | 73% | 0.734 | S | S | * | * | trans | -114.6 | 109.3 | 153.5 | 171.5 | 0 | 0 | 0 | 0 | 105.8 | Y419 E423 | Y419-V421 PolarHBondContact O-N 2.88Å; V421-E423 PolarHBondContact O-N 3.37Å | ||
| 422 | S | 38.9 | Very low | 39.2 | Very low | 99 Ų | 99 | 140.7 Ų | 140.7 | 69% | 0.692 | 71% | 0.714 | S | S | * | * | trans | -62 | 119.3 | -168.7 | -59.1 | 0 | 0 | 0 | 0 | 113.3 | S424 | S422-S424 VanDerWaalsContact C-N 3.29Å; S422-S424 PolarHBondContact O-N 2.86Å; S422-S424 VanDerWaalsContact O-N 3.07Å | ||
| 423 | E | 41.6 | Very low | 40.3 | Very low | 175 Ų | 175 | 139.3 Ų | 139.3 | 82% | 0.818 | 70% | 0.7 | S | S | * | * | trans | -69 | 83.1 | 154.3 | -75.1 | -174.6 | 138.7 | 0 | 0 | 109.6 | V421 | V421-E423 PolarHBondContact O-N 3.37Š| ||
| 424 | S | 42.9 | Very low | 41.3 | Very low | 73 Ų | 73 | 134.2 Ų | 134.2 | 51% | 0.51 | 69% | 0.686 | S | S | . | * | trans | -114 | -15.1 | 171.6 | 52.4 | 0 | 0 | 0 | 0 | 113.7 | S422 | S422-S424 VanDerWaalsContact C-N 3.29Å; S422-S424 PolarHBondContact O-N 2.86Å; S422-S424 VanDerWaalsContact O-N 3.07Å | ||
| 425 | E | 42.3 | Very low | 42.4 | Very low | 171 Ų | 171 | 131.1 Ų | 131.1 | 80% | 0.799 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -84.4 | -20.1 | -176.9 | -76.1 | -174 | 151.1 | 0 | 0 | 114.7 | ||
| 426 | N | 43 | Very low | 43.8 | Very low | 116 Ų | 116 | 128 Ų | 128 | 62% | 0.62 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -86.6 | -12.7 | -176.9 | -81.9 | -57.2 | 0 | 0 | 0 | 115 | ||
| 427 | L | 47 | Very low | 45.5 | Very low | 130 Ų | 130 | 126 Ų | 126 | 68% | 0.681 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -79.9 | -30.5 | 177.1 | -74.5 | 168.3 | 0 | 0 | 0 | 112.5 | Q431 | L427-Q431 PolarHBondContact O-N 3.4Å |
| 428 | Y | 43.7 | Very low | 47.1 | Very low | 200 Ų | 200 | 120.7 Ų | 120.7 | 78% | 0.784 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -71.7 | -36.6 | 178.6 | -87.7 | -86.7 | 0 | 0 | 0 | 112.9 | G432 | Y428-G432 PolarHBondContact O-N 3.41Å |
| 429 | L | 47.8 | Very low | 48.9 | Very low | 125 Ų | 125 | 120.3 Ų | 120.3 | 65% | 0.654 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -70.3 | -35.7 | 179.3 | -139.5 | 77.5 | 0 | 0 | 0 | 111.9 | I433 | L429-I433 WeakPolarHBondContact O-CG1 3.35Å; L429-I433 PolarHBondContact O-N 2.87Å |
| 430 | K | 50.7 | Low | 50.9 | Low | 164 Ų | 164 | 113.7 Ų | 113.7 | 71% | 0.713 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -74.5 | -35.5 | -179.7 | -129.4 | -179.2 | -176.9 | -174.9 | 0 | 112.8 | A434 | K430-A434 PolarHBondContact O-N 2.67Å |
| 431 | Q | 52.4 | Low | 52.6 | Low | 113 Ų | 113 | 109.6 Ų | 109.6 | 53% | 0.528 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -68.8 | -36.2 | 175 | -167.8 | 64.5 | 42.4 | 0 | 0 | 112 | L427 I433 A434 N435 | L427-Q431 PolarHBondContact O-N 3.4Å; Q431-I433 PolarHBondContact O-N 2.96Å; Q431-A434 PolarHBondContact O-N 3.46Å; Q431-N435 PolarHBondContact NE2-OD1 3.45Å; Q431-N435 VanDerWaalsContact NE2-OD1 3.12Å; Q431-N435 WeakPolarHBondContact O-CB 3.33Å; Q431-N435 VanDerWaalsContact O-CG 3.28Å; Q431-N435 PolarHBondContact O-N 2.81Å |
| 432 | G | 51.7 | Low | 54.7 | Low | 32 Ų | 32 | 106 Ų | 106 | 33% | 0.33 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -61.2 | -42.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y428 N435 L436 | Y428-G432 PolarHBondContact O-N 3.41Å; G432-N435 PolarHBondContact O-N 2.59Å; G432-L436 VanDerWaalsContact O-CG 3.26Å; G432-L436 WeakPolarHBondContact O-CG 3.16Å; G432-L436 PolarHBondContact O-N 2.99Å; G432-L436 VanDerWaalsContact O-N 3.08Å |
| 433 | I | 55.9 | Low | 56.4 | Low | 115 Ų | 115 | 106 Ų | 106 | 59% | 0.59 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -69.8 | -38.4 | -178.5 | -60.5 | 164.9 | 0 | 0 | 0 | 111.5 | L429 Q431 S437 | L429-I433 WeakPolarHBondContact O-CG1 3.35Å; L429-I433 PolarHBondContact O-N 2.87Å; Q431-I433 PolarHBondContact O-N 2.96Å; I433-S437 PolarHBondContact O-N 3.18Å |
| 434 | A | 54.9 | Low | 57.9 | Low | 56 Ų | 56 | 104.5 Ų | 104.5 | 46% | 0.463 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -68 | -38.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | K430 Q431 S437 A438 | K430-A434 PolarHBondContact O-N 2.67Å; Q431-A434 PolarHBondContact O-N 3.46Å; A434-S437 PolarHBondContact O-N 3.3Å; A434-A438 PolarHBondContact O-N 3.25Å |
| 435 | N | 57.5 | Low | 59.2 | Low | 84 Ų | 84 | 109.3 Ų | 109.3 | 45% | 0.449 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -69.3 | -37.9 | 179 | -73.5 | -4.9 | 0 | 0 | 0 | 112.3 | Q431 G432 S437 A438 E439 | Q431-N435 PolarHBondContact NE2-OD1 3.45Å; Q431-N435 VanDerWaalsContact NE2-OD1 3.12Å; Q431-N435 WeakPolarHBondContact O-CB 3.33Å; Q431-N435 VanDerWaalsContact O-CG 3.28Å; Q431-N435 PolarHBondContact O-N 2.81Å; G432-N435 PolarHBondContact O-N 2.59Å; N435-S437 VanDerWaalsContact C-N 3.31Å; N435-S437 PolarHBondContact O-N 3.45Å; N435-A438 PolarHBondContact O-N 2.94Å; N435-E439 PolarHBondContact O-N 3.39Å |
| 436 | L | 61.3 | Low | 60.6 | Low | 107 Ų | 107 | 106.3 Ų | 106.3 | 56% | 0.56 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61.9 | -39.3 | 174.1 | -71.3 | 168.1 | 0 | 0 | 0 | 111.9 | G432 A438 E439 V440 | G432-L436 VanDerWaalsContact O-CG 3.26Å; G432-L436 WeakPolarHBondContact O-CG 3.16Å; G432-L436 PolarHBondContact O-N 2.99Å; G432-L436 VanDerWaalsContact O-N 3.08Å; L436-A438 VanDerWaalsContact C-N 3.34Å; L436-A438 PolarHBondContact O-N 2.87Å; L436-E439 PolarHBondContact O-N 3.34Å; L436-V440 WeakPolarHBondContact O-CB 3.29Å; L436-V440 WeakPolarHBondContact O-CG2 3.29Å; L436-V440 PolarHBondContact O-N 3.02Å |
| 437 | S | 67.3 | Low | 61.8 | Low | 83 Ų | 83 | 105.1 Ų | 105.1 | 58% | 0.58 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -65.6 | -36.7 | 176.8 | -172.6 | 0 | 0 | 0 | 0 | 112.4 | I433 A434 N435 A441 | I433-S437 PolarHBondContact O-N 3.18Å; A434-S437 PolarHBondContact O-N 3.3Å; N435-S437 VanDerWaalsContact C-N 3.31Å; N435-S437 PolarHBondContact O-N 3.45Å; S437-A441 WeakPolarHBondContact O-CB 3.25Å; S437-A441 PolarHBondContact O-N 3.45Å |
| 438 | A | 65 | Low | 62.7 | Low | 61 Ų | 61 | 102.9 Ų | 102.9 | 50% | 0.504 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -72.6 | -39.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | A434 N435 L436 A441 S442 | A434-A438 PolarHBondContact O-N 3.25Å; N435-A438 PolarHBondContact O-N 2.94Å; L436-A438 VanDerWaalsContact C-N 3.34Å; L436-A438 PolarHBondContact O-N 2.87Å; A438-A441 PolarHBondContact O-N 3.4Å; A438-S442 WeakPolarHBondContact O-CB 3.47Å; A438-S442 PolarHBondContact O-N 3.49Å |
| 439 | E | 67.6 | Low | 63.4 | Low | 133 Ų | 133 | 97.2 Ų | 97.2 | 62% | 0.621 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.1 | -43.8 | 173.7 | -102.3 | 179.1 | 154.7 | 0 | 0 | 112 | N435 L436 A441 S442 L443 | N435-E439 PolarHBondContact O-N 3.39Å; L436-E439 PolarHBondContact O-N 3.34Å; E439-A441 VanDerWaalsContact C-N 3.34Å; E439-A441 PolarHBondContact O-N 2.98Å; E439-S442 PolarHBondContact O-N 2.87Å; E439-L443 WeakPolarHBondContact O-CB 3.36Å; E439-L443 PolarHBondContact O-N 3.4Å |
| 440 | V | 72.6 | Confident | 63.9 | Low | 80 Ų | 80 | 98.3 Ų | 98.3 | 49% | 0.485 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.7 | -37.7 | 176.9 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | L436 K444 | L436-V440 WeakPolarHBondContact O-CB 3.29Å; L436-V440 WeakPolarHBondContact O-CG2 3.29Å; L436-V440 PolarHBondContact O-N 3.02Å; V440-K444 WeakPolarHBondContact O-CB 3.09Å; V440-K444 WeakPolarHBondContact O-CG 3.44Å; V440-K444 PolarHBondContact O-N 2.91Å |
| 441 | A | 70.3 | Confident | 64.1 | Low | 51 Ų | 51 | 97.9 Ų | 97.9 | 42% | 0.421 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.9 | -39.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | S437 A438 E439 K444 R445 | S437-A441 WeakPolarHBondContact O-CB 3.25Å; S437-A441 PolarHBondContact O-N 3.45Å; A438-A441 PolarHBondContact O-N 3.4Å; E439-A441 VanDerWaalsContact C-N 3.34Å; E439-A441 PolarHBondContact O-N 2.98Å; A441-K444 PolarHBondContact O-N 3.49Å; A441-R445 WeakPolarHBondContact O-CG 3.36Å; A441-R445 PolarHBondContact O-N 3.19Å |
| 442 | S | 73.9 | Confident | 64 | Low | 59 Ų | 59 | 98.3 Ų | 98.3 | 41% | 0.413 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.7 | -43.2 | 176.3 | -161.3 | 0 | 0 | 0 | 0 | 111.8 | A438 E439 R445 L446 | A438-S442 WeakPolarHBondContact O-CB 3.47Å; A438-S442 PolarHBondContact O-N 3.49Å; E439-S442 PolarHBondContact O-N 2.87Å; S442-R445 PolarHBondContact O-N 3.48Å; S442-L446 PolarHBondContact O-N 3.45Å |
| 443 | L | 74.6 | Confident | 63.9 | Low | 99 Ų | 99 | 101.9 Ų | 101.9 | 52% | 0.518 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.9 | -41.1 | 176.3 | -175.7 | 62 | 0 | 0 | 0 | 111.6 | E439 L446 I447 | E439-L443 WeakPolarHBondContact O-CB 3.36Å; E439-L443 PolarHBondContact O-N 3.4Å; L443-L446 PolarHBondContact O-N 3.31Å; L443-I447 HydrophobicContact CD1-CD1 4.22Å; L443-I447 HydrophobicContact CG-CD1 3.99Å; L443-I447 WeakPolarHBondContact O-CD1 3.37Å; L443-I447 VanDerWaalsContact O-CG1 3.27Å; L443-I447 WeakPolarHBondContact O-CG1 3.49Å; L443-I447 PolarHBondContact O-N 3.36Å |
| 444 | K | 73.1 | Confident | 63.6 | Low | 142 Ų | 142 | 100.4 Ų | 100.4 | 62% | 0.617 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -60.4 | -46.2 | 172.4 | -81.4 | -175.6 | 175.6 | -175.5 | 0 | 111.7 | V440 A441 L446 I447 T448 | V440-K444 WeakPolarHBondContact O-CB 3.09Å; V440-K444 WeakPolarHBondContact O-CG 3.44Å; V440-K444 PolarHBondContact O-N 2.91Å; A441-K444 PolarHBondContact O-N 3.49Å; K444-L446 VanDerWaalsContact C-N 3.34Å; K444-L446 PolarHBondContact O-N 3.35Å; K444-I447 PolarHBondContact O-N 3.22Å; K444-T448 PolarHBondContact O-N 3.23Å; K444-T448 PolarHBondContact O-OG1 3.33Å |
| 445 | R | 70.1 | Confident | 63.4 | Low | 175 Ų | 175 | 102.7 Ų | 102.7 | 66% | 0.66 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -60.2 | -43.9 | 175.8 | -73.5 | -168.4 | -47.3 | -145.5 | -0.5 | 112 | A441 S442 I447 T448 T449 | A441-R445 WeakPolarHBondContact O-CG 3.36Å; A441-R445 PolarHBondContact O-N 3.19Å; S442-R445 PolarHBondContact O-N 3.48Å; R445-I447 PolarHBondContact O-N 2.99Å; R445-T448 PolarHBondContact O-N 2.99Å; R445-T449 PolarHBondContact O-N 3.02Å; R445-T449 PolarHBondContact O-OG1 2.77Å |
| 446 | L | 71.6 | Confident | 62.9 | Low | 107 Ų | 107 | 105.8 Ų | 105.8 | 56% | 0.56 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -59.4 | -45.9 | -179.8 | -170.2 | 74.1 | 0 | 0 | 0 | 111.7 | S442 L443 K444 T449 Q450 | S442-L446 PolarHBondContact O-N 3.45Å; L443-L446 PolarHBondContact O-N 3.31Å; K444-L446 VanDerWaalsContact C-N 3.34Å; K444-L446 PolarHBondContact O-N 3.35Å; L446-T449 WeakPolarHBondContact CA-OG1 3.35Å; L446-T449 PolarHBondContact O-N 3.29Å; L446-T449 PolarHBondContact O-OG1 3.17Å; L446-Q450 WeakPolarHBondContact O-CB 3.5Å; L446-Q450 PolarHBondContact O-N 3.16Å |
| 447 | I | 69.3 | Low | 62.2 | Low | 91 Ų | 91 | 107 Ų | 107 | 47% | 0.467 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -65 | -41.6 | 178 | -65.8 | 165.6 | 0 | 0 | 0 | 110.6 | L443 K444 R445 Q450 Q451 | L443-I447 HydrophobicContact CD1-CD1 4.22Å; L443-I447 HydrophobicContact CG-CD1 3.99Å; L443-I447 WeakPolarHBondContact O-CD1 3.37Å; L443-I447 VanDerWaalsContact O-CG1 3.27Å; L443-I447 WeakPolarHBondContact O-CG1 3.49Å; L443-I447 PolarHBondContact O-N 3.36Å; K444-I447 PolarHBondContact O-N 3.22Å; R445-I447 PolarHBondContact O-N 2.99Å; I447-Q450 PolarHBondContact O-N 3.49Å; I447-Q451 WeakPolarHBondContact O-CG 3.48Å; I447-Q451 PolarHBondContact O-N 3.33Å; I447-Q451 VanDerWaalsContact O-N 3.08Å |
| 448 | T | 66.4 | Low | 60.9 | Low | 83 Ų | 83 | 110.2 Ų | 110.2 | 51% | 0.509 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -66.2 | -39.8 | 176.8 | -46.9 | 0 | 0 | 0 | 0 | 112.1 | K444 R445 Q450 Q451 I452 | K444-T448 PolarHBondContact O-N 3.23Å; K444-T448 PolarHBondContact O-OG1 3.33Å; R445-T448 PolarHBondContact O-N 2.99Å; T448-Q450 VanDerWaalsContact C-N 3.33Å; T448-Q450 PolarHBondContact O-N 2.8Å; T448-Q451 PolarHBondContact O-N 3.06Å; T448-I452 HydrophobicContact CG2-CD1 4.26Å; T448-I452 WeakPolarHBondContact O-CD1 3.44Å; T448-I452 VanDerWaalsContact O-CG1 3.29Å; T448-I452 WeakPolarHBondContact O-CG1 3.25Å; T448-I452 PolarHBondContact O-N 3.2Å |
| 449 | T | 58.4 | Low | 60.7 | Low | 82 Ų | 82 | 112.7 Ų | 112.7 | 50% | 0.503 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -65.7 | -34.9 | 174 | 32.1 | 0 | 0 | 0 | 0 | 112.7 | R445 L446 Q451 I452 S453 | R445-T449 PolarHBondContact O-N 3.02Å; R445-T449 PolarHBondContact O-OG1 2.77Å; L446-T449 WeakPolarHBondContact CA-OG1 3.35Å; L446-T449 PolarHBondContact O-N 3.29Å; L446-T449 PolarHBondContact O-OG1 3.17Å; T449-Q451 VanDerWaalsContact C-N 3.35Å; T449-I452 PolarHBondContact O-N 3.37Å; T449-S453 PolarHBondContact O-N 3.36Å; T449-S453 PolarHBondContact O-OG 2.73Å |
| 450 | Q | 57.1 | Low | 60.3 | Low | 148 Ų | 148 | 111.6 Ų | 111.6 | 69% | 0.692 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -73.6 | -27.2 | 179.2 | -158.9 | 163.7 | 38.3 | 0 | 0 | 112.7 | L446 I447 T448 I452 | L446-Q450 WeakPolarHBondContact O-CB 3.5Å; L446-Q450 PolarHBondContact O-N 3.16Å; I447-Q450 PolarHBondContact O-N 3.49Å; T448-Q450 VanDerWaalsContact C-N 3.33Å; T448-Q450 PolarHBondContact O-N 2.8Å; Q450-I452 VanDerWaalsContact C-N 3.33Å |
| 451 | Q | 54.3 | Low | 59.6 | Low | 154 Ų | 154 | 113.3 Ų | 113.3 | 72% | 0.72 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -73.1 | -22 | 172.8 | -73.4 | -98.5 | -54 | 0 | 0 | 113.2 | I447 T448 T449 | I447-Q451 WeakPolarHBondContact O-CG 3.48Å; I447-Q451 PolarHBondContact O-N 3.33Å; I447-Q451 VanDerWaalsContact O-N 3.08Å; T448-Q451 PolarHBondContact O-N 3.06Å; T449-Q451 VanDerWaalsContact C-N 3.35Å |
| 452 | I | 52.1 | Low | 59 | Low | 122 Ų | 122 | 117 Ų | 117 | 63% | 0.626 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -89.9 | -23.3 | -179 | -58.7 | 160.5 | 0 | 0 | 0 | 111.6 | T448 T449 Q450 A454 | T448-I452 HydrophobicContact CG2-CD1 4.26Å; T448-I452 WeakPolarHBondContact O-CD1 3.44Å; T448-I452 VanDerWaalsContact O-CG1 3.29Å; T448-I452 WeakPolarHBondContact O-CG1 3.25Å; T448-I452 PolarHBondContact O-N 3.2Å; T449-I452 PolarHBondContact O-N 3.37Å; Q450-I452 VanDerWaalsContact C-N 3.33Å; I452-A454 PolarHBondContact O-N 2.75Å |
| 453 | S | 49.6 | Very low | 58.1 | Low | 107 Ų | 107 | 120.6 Ų | 120.6 | 75% | 0.748 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -1.9 | -179.8 | -58.7 | 0 | 0 | 0 | 0 | 115.4 | T449 | T449-S453 PolarHBondContact O-N 3.36Å; T449-S453 PolarHBondContact O-OG 2.73Å |
| 454 | A | 48.6 | Very low | 57 | Low | 84 Ų | 84 | 122.1 Ų | 122.1 | 69% | 0.694 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | 16.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | I452 | I452-A454 PolarHBondContact O-N 2.75Š|
| 455 | S | 50.1 | Low | 55.8 | Low | 105 Ų | 105 | 120.6 Ų | 120.6 | 73% | 0.734 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -144 | 54.1 | -179.6 | -58.6 | 0 | 0 | 0 | 0 | 111.7 | ||
| 456 | D | 47.5 | Very low | 54.7 | Low | 148 Ų | 148 | 116.5 Ų | 116.5 | 79% | 0.791 | 73% | 0.732 | S | S | * | * | trans | -154.7 | 85.1 | 158.3 | -158.7 | 16.2 | 0 | 0 | 0 | 110.4 | ||||
| 457 | S | 46.3 | Very low | 53.3 | Low | 134 Ų | 134 | 117.3 Ų | 117.3 | 94% | 0.937 | 75% | 0.746 | S | S | * | * | trans | -167.6 | 74.3 | 162.7 | -73.3 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 458 | G | 39.8 | Very low | 51.8 | Low | 149 Ų | 149 | 119.6 Ų | 119.6 | 100% | 1.536 | 77% | 0.772 | S | S | * | * | trans | -118.2 | 0 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.2 |
Retrieved 458 of 458 residues in 412.9 ms
(Link to these results)