| 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 | 33 | Very low | 38.3 | Very low | 237 Ų | 237 | 156.1 Ų | 156.1 | 100% | 1.167 | 80% | 0.797 | S | S | * | * | 0 | 117.7 | 0 | -59.3 | 157.5 | 73.8 | 0 | 0 | 106.1 | |||||
| 2 | S | 35.6 | Very low | 37.9 | Very low | 100 Ų | 100 | 155.5 Ų | 155.5 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | cis | -152.9 | 146.3 | -10.6 | -70.2 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 3 | R | 40.7 | Very low | 37.8 | Very low | 204 Ų | 204 | 156.2 Ų | 156.2 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | 42.1 | 137.3 | 98.3 | -41.2 | -166.3 | 72 | 180 | -3.5 | 114.2 | |||||
| 4 | E | 43.2 | Very low | 37.8 | Very low | 135 Ų | 135 | 151.5 Ų | 151.5 | 63% | 0.631 | 78% | 0.782 | S | S | * | * | cis | -172.8 | 175.3 | -13.2 | -108.1 | 141.7 | -125.4 | 0 | 0 | 105.1 | ||||
| 5 | E | 44.8 | Very low | 38.6 | Very low | 135 Ų | 135 | 150.1 Ų | 150.1 | 63% | 0.631 | 79% | 0.787 | S | S | * | * | cis | -161.9 | 173.5 | 12.6 | -130.7 | -69.3 | 65.1 | 0 | 0 | 108.2 | ||||
| 6 | Q | 39.8 | Very low | 38.2 | Very low | 156 Ų | 156 | 144.6 Ų | 144.6 | 73% | 0.729 | 78% | 0.777 | S | S | * | * | trans | 67.8 | 158.3 | 152.1 | -82.4 | 147.7 | 50.2 | 0 | 0 | 120 | ||||
| 7 | S | 35.8 | Very low | 37.9 | Very low | 108 Ų | 108 | 146.9 Ų | 146.9 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | cis | -150.3 | 161.1 | -12.3 | -179.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 8 | F | 36.8 | Very low | 37.7 | Very low | 209 Ų | 209 | 144.6 Ų | 144.6 | 92% | 0.917 | 78% | 0.782 | S | S | * | * | trans | -73.3 | 158.9 | 165 | -72.5 | -105.2 | 0 | 0 | 0 | 111.8 | ||||
| 9 | S | 36.4 | Very low | 37.7 | Very low | 115 Ų | 115 | 144.5 Ų | 144.5 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -142.9 | 120.1 | 157.9 | 62.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 10 | E | 32.7 | Very low | 37.4 | Very low | 193 Ų | 193 | 144 Ų | 144 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | trans | -75.8 | 148 | 177.3 | -165.6 | 167.4 | 104.3 | 0 | 0 | 110.8 | ||||
| 11 | V | 42.7 | Very low | 37.5 | Very low | 125 Ų | 125 | 140.6 Ų | 140.6 | 76% | 0.758 | 77% | 0.765 | S | S | * | * | trans | -127.1 | 114.1 | 169.8 | 167.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 12 | E | 32.9 | Very low | 37.6 | Very low | 149 Ų | 149 | 140.1 Ų | 140.1 | 70% | 0.696 | 75% | 0.75 | S | S | * | * | trans | -70.5 | 143.2 | 175.2 | -169.7 | -163.6 | 131.5 | 0 | 0 | 111.3 | S14 | E12-S14 WeakPolarHBondContact OE1-CB 3.16Å; E12-S14 PolarHBondContact OE1-OG 3.43Å | ||
| 13 | L | 36.7 | Very low | 37.6 | Very low | 164 Ų | 164 | 140.3 Ų | 140.3 | 86% | 0.859 | 75% | 0.752 | S | S | * | * | trans | -126.2 | 82 | 171 | -76.2 | 175.5 | 0 | 0 | 0 | 110.9 | ||||
| 14 | S | 38.4 | Very low | 37.4 | Very low | 91 Ų | 91 | 138.5 Ų | 138.5 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | trans | -80.4 | 124.2 | 167.8 | -79.3 | 0 | 0 | 0 | 0 | 111 | E12 | E12-S14 WeakPolarHBondContact OE1-CB 3.16Å; E12-S14 PolarHBondContact OE1-OG 3.43Å | ||
| 15 | P | 49.2 | Very low | 37.1 | Very low | 131 Ų | 131 | 137.2 Ų | 137.2 | 85% | 0.851 | 76% | 0.763 | S | S | * | * | trans | -89.7 | 142.9 | 173.7 | 34.4 | -32.5 | 0 | 0 | 0 | 112 | ||||
| 16 | G | 32.3 | Very low | 37.3 | Very low | 61 Ų | 61 | 136 Ų | 136 | 63% | 0.629 | 77% | 0.767 | S | S | * | * | trans | -167.2 | 153.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 17 | M | 33.2 | Very low | 36.9 | Very low | 184 Ų | 184 | 131.7 Ų | 131.7 | 91% | 0.906 | 76% | 0.763 | S | S | * | * | trans | 64 | 141.9 | 175.1 | 95.1 | -166.1 | 76 | 0 | 0 | 117.1 | ||||
| 18 | S | 34.6 | Very low | 36.7 | Very low | 106 Ų | 106 | 134.5 Ų | 134.5 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | cis | -161.4 | 151.9 | -14 | 47 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 19 | D | 36.8 | Very low | 36.5 | Very low | 142 Ų | 142 | 129.4 Ų | 129.4 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | trans | 11 | 136.5 | 142.1 | -137.9 | -98.7 | 0 | 0 | 0 | 121.7 | ||||
| 20 | D | 33.2 | Very low | 36.4 | Very low | 135 Ų | 135 | 129 Ų | 129 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | -163.6 | 128 | 113.3 | -152.7 | -52.6 | 0 | 0 | 0 | 113.5 | |||||
| 21 | S | 38.8 | Very low | 36.3 | Very low | 73 Ų | 73 | 125.1 Ų | 125.1 | 51% | 0.51 | 75% | 0.746 | S | S | . | * | trans | 7.5 | 137.1 | 158.1 | -38.1 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 22 | R | 35.6 | Very low | 35.9 | Very low | 226 Ų | 226 | 123.6 Ų | 123.6 | 85% | 0.853 | 75% | 0.747 | S | S | * | * | -173.1 | 108.9 | 98.2 | 59.5 | -153 | 72.8 | 170.9 | 6.3 | 115.5 | |||||
| 23 | S | 35 | Very low | 36 | Very low | 105 Ų | 105 | 121.6 Ų | 121.6 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | trans | 25.3 | 126.2 | 134.9 | -44.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 24 | L | 37.2 | Very low | 35.7 | Very low | 166 Ų | 166 | 117.8 Ų | 117.8 | 87% | 0.869 | 76% | 0.755 | S | S | * | * | 177.5 | 149.2 | 97.1 | -91.5 | 174.9 | 0 | 0 | 0 | 113.2 | |||||
| 25 | S | 36 | Very low | 35.3 | Very low | 108 Ų | 108 | 116.5 Ų | 116.5 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | trans | -149.7 | 147.8 | 164.8 | -55.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 26 | P | 48.7 | Very low | 34.8 | Very low | 110 Ų | 110 | 117.9 Ų | 117.9 | 71% | 0.714 | 76% | 0.755 | S | S | * | * | -111.4 | 170.3 | 118.7 | -10.7 | 30 | 0 | 0 | 0 | 110.6 | |||||
| 27 | G | 32.3 | Very low | 34.9 | Very low | 64 Ų | 64 | 121.9 Ų | 121.9 | 66% | 0.66 | 76% | 0.762 | S | S | * | * | cis | 99.9 | 141.2 | 43.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 28 | H | 31.2 | Very low | 35.3 | Very low | 168 Ų | 168 | 118.1 Ų | 118.1 | 78% | 0.778 | 75% | 0.754 | S | S | * | * | cis | -156.6 | 151.1 | 11.2 | -37.3 | -99.2 | 0 | 0 | 0 | 112.3 | ||||
| 29 | S | 32.6 | Very low | 35.9 | Very low | 101 Ų | 101 | 118.9 Ų | 118.9 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | trans | 39.6 | 100.2 | 141.7 | 61.2 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 30 | S | 33.7 | Very low | 35.9 | Very low | 107 Ų | 107 | 120.5 Ų | 120.5 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | 48.2 | 131.6 | 115.4 | 66.9 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 31 | S | 30.6 | Very low | 35.8 | Very low | 112 Ų | 112 | 126.2 Ų | 126.2 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | 132.7 | 143 | 114 | 73.5 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 32 | A | 34.5 | Very low | 35.3 | Very low | 93 Ų | 93 | 125.9 Ų | 125.9 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | 68.2 | 122.8 | 140.7 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 33 | A | 34.9 | Very low | 35.2 | Very low | 107 Ų | 107 | 124.6 Ų | 124.6 | 88% | 0.884 | 79% | 0.788 | S | S | * | * | trans | 79.7 | 140.9 | 131 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 34 | G | 31.3 | Very low | 35.1 | Very low | 83 Ų | 83 | 128.2 Ų | 128.2 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | trans | 83.3 | 139.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 35 | G | 30.9 | Very low | 35.6 | Very low | 65 Ų | 65 | 124.9 Ų | 124.9 | 67% | 0.67 | 78% | 0.782 | S | S | * | * | cis | 140.1 | 132.3 | -6.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 36 | I | 37.7 | Very low | 35.5 | Very low | 159 Ų | 159 | 128.8 Ų | 128.8 | 82% | 0.815 | 79% | 0.788 | S | S | * | * | trans | 38.8 | 120.8 | 164.9 | 58.3 | 172.2 | 0 | 0 | 0 | 117.6 | ||||
| 37 | D | 33.7 | Very low | 34.9 | Very low | 145 Ų | 145 | 131.8 Ų | 131.8 | 78% | 0.775 | 80% | 0.797 | S | S | * | * | -173.2 | 176.8 | 67 | -115 | -44.7 | 0 | 0 | 0 | 113.3 | |||||
| 38 | S | 41.6 | Very low | 35.1 | Very low | 105 Ų | 105 | 133.5 Ų | 133.5 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | trans | -136.8 | 146.4 | 165.2 | -70.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 39 | P | 47.3 | Very low | 35.6 | Very low | 123 Ų | 123 | 129.9 Ų | 129.9 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | -150.8 | 121.9 | 118.1 | 33.1 | -14.2 | 0 | 0 | 0 | 116.8 | |||||
| 40 | L | 37.3 | Very low | 35.9 | Very low | 176 Ų | 176 | 133.3 Ų | 133.3 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | 32.1 | 102.3 | 121.2 | -158.4 | 81.8 | 0 | 0 | 0 | 120.4 | |||||
| 41 | R | 31.3 | Very low | 36 | Very low | 254 Ų | 254 | 135.5 Ų | 135.5 | 96% | 0.958 | 82% | 0.817 | S | S | * | * | trans | -166.7 | 141 | 150.5 | -146.4 | 170.5 | -178.1 | 168.1 | -0.3 | 109.2 | ||||
| 42 | G | 29.3 | Very low | 36.1 | Very low | 66 Ų | 66 | 138 Ų | 138 | 68% | 0.68 | 82% | 0.822 | S | S | * | * | cis | 162.9 | 143.7 | -10.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 43 | Q | 31.6 | Very low | 36.6 | Very low | 199 Ų | 199 | 137.7 Ų | 137.7 | 93% | 0.93 | 82% | 0.819 | S | S | * | * | trans | 73.3 | 112.8 | 168.4 | -69.3 | 177.5 | -14.1 | 0 | 0 | 120.6 | ||||
| 44 | Q | 34.5 | Very low | 37.1 | Very low | 181 Ų | 181 | 138.6 Ų | 138.6 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | trans | -66 | 175.9 | 139.3 | -124.5 | -167.9 | -25.3 | 0 | 0 | 109.8 | ||||
| 45 | P | 47.8 | Very low | 37.4 | Very low | 97 Ų | 97 | 139.4 Ų | 139.4 | 63% | 0.63 | 82% | 0.817 | S | S | * | * | cis | -136.4 | 178 | -4.6 | 41.9 | -25.7 | 0 | 0 | 0 | 115.2 | ||||
| 46 | Q | 33.3 | Very low | 38.1 | Very low | 189 Ų | 189 | 140.6 Ų | 140.6 | 88% | 0.883 | 83% | 0.83 | S | S | * | * | trans | -139.4 | 150 | 140.7 | -85.3 | -157.7 | -12.4 | 0 | 0 | 111.2 | ||||
| 47 | L | 36.4 | Very low | 37.7 | Very low | 173 Ų | 173 | 138.9 Ų | 138.9 | 91% | 0.906 | 83% | 0.83 | S | S | * | * | trans | -125 | 125.2 | 171.1 | -68.6 | 168.6 | 0 | 0 | 0 | 107.3 | ||||
| 48 | A | 35.8 | Very low | 37.9 | Very low | 101 Ų | 101 | 137 Ų | 137 | 84% | 0.835 | 83% | 0.828 | S | S | * | * | trans | -151.4 | 133.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 49 | A | 41.7 | Very low | 37.7 | Very low | 91 Ų | 91 | 136.4 Ų | 136.4 | 75% | 0.752 | 82% | 0.824 | S | S | * | * | trans | -96.6 | 154.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 50 | L | 39.1 | Very low | 37.4 | Very low | 173 Ų | 173 | 137.3 Ų | 137.3 | 91% | 0.906 | 83% | 0.827 | S | S | * | * | trans | -143.6 | 153.2 | 149.1 | -78.5 | -174.5 | 0 | 0 | 0 | 109.2 | ||||
| 51 | D | 35.9 | Very low | 37.9 | Very low | 153 Ų | 153 | 138.9 Ų | 138.9 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | -90.8 | 178.4 | -167.6 | -66.2 | -103.1 | 0 | 0 | 0 | 115 | ||||
| 52 | D | 32.4 | Very low | 38.6 | Very low | 166 Ų | 166 | 131 Ų | 131 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | trans | 87 | 159.4 | 156.1 | -150.7 | 21.6 | 0 | 0 | 0 | 118.8 | ||||
| 53 | A | 45.3 | Very low | 39.4 | Very low | 85 Ų | 85 | 134.5 Ų | 134.5 | 70% | 0.702 | 81% | 0.808 | S | S | * | * | trans | -118.8 | -170.9 | -146.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 54 | S | 44.3 | Very low | 39.9 | Very low | 127 Ų | 127 | 132.3 Ų | 132.3 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | trans | 71.4 | 66.9 | 167 | -172.1 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 55 | A | 37.9 | Very low | 40.5 | Very low | 100 Ų | 100 | 129.7 Ų | 129.7 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | trans | -125.5 | 130 | 142.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 56 | G | 45.9 | Very low | 40.7 | Very low | 90 Ų | 90 | 127.9 Ų | 127.9 | 93% | 0.928 | 78% | 0.775 | S | S | * | * | trans | -72.5 | 132.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 57 | C | 29.3 | Very low | 41.8 | Very low | 122 Ų | 122 | 127.2 Ų | 127.2 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | trans | -116 | 158.3 | 166.2 | 66.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 58 | S | 37.8 | Very low | 42.8 | Very low | 105 Ų | 105 | 128.4 Ų | 128.4 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | trans | -65.5 | 159.4 | -169 | -166.2 | 0 | 0 | 0 | 0 | 113.3 | V60 | S58-V60 PolarHBondContact O-N 2.87Š| ||
| 59 | S | 37.4 | Very low | 43.3 | Very low | 93 Ų | 93 | 125.4 Ų | 125.4 | 65% | 0.65 | 73% | 0.733 | S | S | * | * | trans | -68 | 77 | 171 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | R61 | S59-R61 PolarHBondContact O-N 3.09Š| ||
| 60 | V | 41 | Very low | 44.5 | Very low | 142 Ų | 142 | 125.1 Ų | 125.1 | 86% | 0.861 | 72% | 0.723 | S | S | * | * | trans | -68 | 85 | 158.1 | -85.8 | 0 | 0 | 0 | 0 | 108.9 | S58 | S58-V60 PolarHBondContact O-N 2.87Š| ||
| 61 | R | 48.2 | Very low | 45.5 | Very low | 210 Ų | 210 | 120.2 Ų | 120.2 | 79% | 0.792 | 71% | 0.708 | S | S | * | * | trans | -130.3 | 146.3 | 167 | -64.9 | -170.2 | 68.5 | -166.4 | -1.5 | 107.9 | S59 | S59-R61 PolarHBondContact O-N 3.09Š| ||
| 62 | S | 45.9 | Very low | 46.7 | Very low | 89 Ų | 89 | 115.1 Ų | 115.1 | 62% | 0.622 | 69% | 0.691 | S | S | * | * | trans | 72.1 | 85 | -179.8 | -53.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 63 | D | 45.4 | Very low | 48.2 | Very low | 139 Ų | 139 | 108.7 Ų | 108.7 | 74% | 0.743 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -123.3 | -39.5 | 145.6 | -150.7 | -105.5 | 0 | 0 | 0 | 108.6 | E65 D66 | D63-E65 PolarHBondContact O-N 2.64Å; D63-E65 VanDerWaalsContact O-N 3.08Å; D63-D66 PolarHBondContact O-N 2.8Å |
| 64 | D | 43.6 | Very low | 49.1 | Very low | 152 Ų | 152 | 108.3 Ų | 108.3 | 81% | 0.813 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -58.7 | -20.8 | 176.7 | -54.4 | -100.3 | 0 | 0 | 0 | 116.2 | D66 | D64-D66 VanDerWaalsContact C-N 3.25Å; D64-D66 PolarHBondContact O-N 3.1Å |
| 65 | E | 46.8 | Very low | 50.3 | Low | 127 Ų | 127 | 107.8 Ų | 107.8 | 59% | 0.593 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -73.8 | -17.2 | 177.5 | -70.7 | -71.9 | 132.6 | 0 | 0 | 112.3 | D63 R68 | D63-E65 PolarHBondContact O-N 2.64Å; D63-E65 VanDerWaalsContact O-N 3.08Å; E65-R68 VanDerWaalsContact O-CB 3.27Å; E65-R68 WeakPolarHBondContact O-CB 3.49Å; E65-R68 PolarHBondContact O-N 3.21Å |
| 66 | D | 52.1 | Low | 51.5 | Low | 59 Ų | 59 | 104.8 Ų | 104.8 | 32% | 0.316 | 60% | 0.596 | S | S | . | * | G | 310 helix | trans | -83.8 | -10.9 | -176.9 | -95.6 | -80.4 | 0 | 0 | 0 | 114 | D63 D64 R68 R74 | D63-D66 PolarHBondContact O-N 2.8Å; D64-D66 VanDerWaalsContact C-N 3.25Å; D64-D66 PolarHBondContact O-N 3.1Å; D66-R68 VanDerWaalsContact C-N 3.25Å; D66-R74 VanDerWaalsContact O-CZ 3.23Å; D66-R74 PolarHBondContact O-NH1 3.15Å; D66-R74 PolarHBondContact O-NH2 3.1Å; D66-R74 IonicContact OD1-CZ 3.41Å; D66-R74 IonicContact OD1-NE 3.46Å; D66-R74 IonicContact OD1-NH1 3.63Å; D66-R74 PolarHBondContact OD1-NH1 2.97Å |
| 67 | E | 55.4 | Low | 52.3 | Low | 174 Ų | 174 | 100.7 Ų | 100.7 | 81% | 0.813 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -73.2 | -17.8 | 166.4 | -85.6 | -69.7 | 103 | 0 | 0 | 112.4 | F69 | E67-F69 PolarHBondContact O-N 3.21Š|
| 68 | R | 57.1 | Low | 54.1 | Low | 198 Ų | 198 | 97.5 Ų | 97.5 | 75% | 0.747 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -70.1 | -14.7 | -177.7 | -169 | 57.6 | 173.4 | -161.1 | -1.6 | 113.5 | E65 D66 | E65-R68 VanDerWaalsContact O-CB 3.27Å; E65-R68 WeakPolarHBondContact O-CB 3.49Å; E65-R68 PolarHBondContact O-N 3.21Å; D66-R68 VanDerWaalsContact C-N 3.25Å |
| 69 | F | 47 | Very low | 55.5 | Low | 39 Ų | 39 | 96.8 Ų | 96.8 | 17% | 0.171 | 52% | 0.517 | C | S | . | . | S | Bend | trans | -124.8 | 109.8 | -170.2 | -58.4 | -79.9 | 0 | 0 | 0 | 111.6 | E67 A71 R74 L145 | E67-F69 PolarHBondContact O-N 3.21Å; F69-A71 PolarHBondContact O-N 3.19Å; F69-R74 PolarHBondContact O-NE 3.03Å; F69-R74 PolarHBondContact O-NH2 3.39Å; F69-L145 HydrophobicContact CD1-CB 4.23Å; F69-L145 HydrophobicContact CD1-CD2 4.2Å; F69-L145 WeakPolarHBondContact CD1-O 3.49Å; F69-L145 HydrophobicContact CE1-CD2 4.21Å |
| 70 | P | 65.9 | Low | 56.8 | Low | 85 Ų | 85 | 93 Ų | 93 | 55% | 0.552 | 49% | 0.489 | S | S | * | . | trans | -50.3 | 127.1 | -179.7 | -29.6 | 35 | 0 | 0 | 0 | 112.7 | G72 I73 | P70-G72 VanDerWaalsContact C-N 3.27Å; P70-G72 PolarHBondContact O-N 3.32Å; P70-G72 VanDerWaalsContact O-N 3.12Å; P70-I73 HydrophobicContact CB-CD1 4.35Å; P70-I73 HydrophobicContact CB-CG1 4.43Å; P70-I73 HydrophobicContact CG-CD1 4.34Å; P70-I73 WeakPolarHBondContact O-CB 3.38Å; P70-I73 PolarHBondContact O-N 3.45Å | ||
| 71 | A | 60.8 | Low | 57.9 | Low | 70 Ų | 70 | 88 Ų | 88 | 58% | 0.579 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -52.7 | -40.2 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | F69 I73 R74 E75 | F69-A71 PolarHBondContact O-N 3.19Å; A71-I73 PolarHBondContact O-N 3.42Å; A71-I73 VanDerWaalsContact O-N 3.1Å; A71-R74 WeakPolarHBondContact O-CB 3.48Å; A71-R74 PolarHBondContact O-N 3.07Å; A71-E75 PolarHBondContact O-N 3.38Å |
| 72 | G | 61.7 | Low | 58.8 | Low | 46 Ų | 46 | 84.6 Ų | 84.6 | 47% | 0.474 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.5 | -16.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | P70 A76 | P70-G72 VanDerWaalsContact C-N 3.27Å; P70-G72 PolarHBondContact O-N 3.32Å; P70-G72 VanDerWaalsContact O-N 3.12Å; G72-A76 WeakPolarHBondContact O-CB 3.4Å; G72-A76 PolarHBondContact O-N 2.9Å |
| 73 | I | 64.1 | Low | 59.2 | Low | 31 Ų | 31 | 84.6 Ų | 84.6 | 16% | 0.159 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -77.2 | -46.7 | 171.7 | -64.7 | -178.3 | 0 | 0 | 0 | 110.3 | P70 A71 E75 A76 V77 L142 L145 | P70-I73 HydrophobicContact CB-CD1 4.35Å; P70-I73 HydrophobicContact CB-CG1 4.43Å; P70-I73 HydrophobicContact CG-CD1 4.34Å; P70-I73 WeakPolarHBondContact O-CB 3.38Å; P70-I73 PolarHBondContact O-N 3.45Å; A71-I73 PolarHBondContact O-N 3.42Å; A71-I73 VanDerWaalsContact O-N 3.1Å; I73-E75 VanDerWaalsContact C-N 3.3Å; I73-E75 PolarHBondContact O-N 3.11Å; I73-A76 PolarHBondContact O-N 3.09Å; I73-V77 WeakPolarHBondContact O-CB 3.48Å; I73-V77 WeakPolarHBondContact O-CG2 3.32Å; I73-V77 PolarHBondContact O-N 2.99Å; I73-L142 HydrophobicContact CB-CD2 4.27Å; I73-L142 HydrophobicContact CD1-CD2 4.31Å; I73-L142 HydrophobicContact CG1-CD2 3.91Å; I73-L142 HydrophobicContact CG2-CD2 3.78Å; I73-L145 HydrophobicContact CD1-CD1 3.57Å; I73-L145 HydrophobicContact CG2-CB 4.21Å |
| 74 | R | 63 | Low | 59.8 | Low | 77 Ų | 77 | 78.5 Ų | 78.5 | 29% | 0.291 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -59.4 | -44.9 | 172.1 | -75.4 | 175.6 | -80.7 | 175.8 | -1 | 110 | D66 F69 A71 V77 S78 | D66-R74 VanDerWaalsContact O-CZ 3.23Å; D66-R74 PolarHBondContact O-NH1 3.15Å; D66-R74 PolarHBondContact O-NH2 3.1Å; D66-R74 IonicContact OD1-CZ 3.41Å; D66-R74 IonicContact OD1-NE 3.46Å; D66-R74 IonicContact OD1-NH1 3.63Å; D66-R74 PolarHBondContact OD1-NH1 2.97Å; F69-R74 PolarHBondContact O-NE 3.03Å; F69-R74 PolarHBondContact O-NH2 3.39Å; A71-R74 WeakPolarHBondContact O-CB 3.48Å; A71-R74 PolarHBondContact O-N 3.07Å; R74-V77 PolarHBondContact O-N 3.17Å; R74-S78 WeakPolarHBondContact O-CB 3.21Å; R74-S78 PolarHBondContact O-N 3.12Å; R74-S78 PolarHBondContact O-OG 3.25Å |
| 75 | E | 70.1 | Confident | 60.4 | Low | 115 Ų | 115 | 75 Ų | 75 | 54% | 0.537 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.1 | -52.6 | 177.3 | -161.2 | -156.3 | 151.3 | 0 | 0 | 112.6 | A71 I73 V77 S78 Q79 | A71-E75 PolarHBondContact O-N 3.38Å; I73-E75 VanDerWaalsContact C-N 3.3Å; I73-E75 PolarHBondContact O-N 3.11Å; E75-V77 PolarHBondContact O-N 3.38Å; E75-S78 PolarHBondContact O-N 2.99Å; E75-S78 VanDerWaalsContact O-N 3.16Å; E75-Q79 WeakPolarHBondContact O-CG 3.25Å; E75-Q79 PolarHBondContact O-N 3.42Å; E75-Q79 PolarHBondContact OE1-NE2 3.3Å |
| 76 | A | 63.7 | Low | 61 | Low | 37 Ų | 37 | 74.1 Ų | 74.1 | 31% | 0.306 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.1 | -32.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G72 I73 V80 | G72-A76 WeakPolarHBondContact O-CB 3.4Å; G72-A76 PolarHBondContact O-N 2.9Å; I73-A76 PolarHBondContact O-N 3.09Å; A76-V80 VanDerWaalsContact O-CG2 3.27Å; A76-V80 WeakPolarHBondContact O-CG2 3.24Å; A76-V80 PolarHBondContact O-N 3.19Å |
| 77 | V | 62.3 | Low | 61.2 | Low | 5 Ų | 5 | 77 Ų | 77 | 3% | 0.03 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -71.1 | -46.5 | 175.2 | 164.2 | 0 | 0 | 0 | 0 | 111.5 | I73 R74 E75 Q79 V80 L81 L146 | I73-V77 WeakPolarHBondContact O-CB 3.48Å; I73-V77 WeakPolarHBondContact O-CG2 3.32Å; I73-V77 PolarHBondContact O-N 2.99Å; R74-V77 PolarHBondContact O-N 3.17Å; E75-V77 PolarHBondContact O-N 3.38Å; V77-Q79 VanDerWaalsContact C-N 3.33Å; V77-Q79 PolarHBondContact O-N 3.23Å; V77-V80 CarbonylContact O-C 3.23Å; V77-V80 WeakPolarHBondContact O-CA 3.3Å; V77-V80 WeakPolarHBondContact O-CB 3.38Å; V77-V80 PolarHBondContact O-N 2.87Å; V77-L81 HydrophobicContact CG1-CD1 3.97Å; V77-L81 WeakPolarHBondContact O-CG 3.38Å; V77-L81 PolarHBondContact O-N 3.08Å; V77-L146 HydrophobicContact CB-CD2 3.92Å; V77-L146 HydrophobicContact CG1-CD2 3.34Å; V77-L146 HydrophobicContact CG2-CD2 3.38Å; V77-L146 HydrophobicContact CG2-CG 4.44Å |
| 78 | S | 66.8 | Low | 61.3 | Low | 55 Ų | 55 | 72.3 Ų | 72.3 | 39% | 0.385 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.5 | -41.1 | 174.4 | -65.5 | 0 | 0 | 0 | 0 | 111.4 | R74 E75 V80 L81 N82 | R74-S78 WeakPolarHBondContact O-CB 3.21Å; R74-S78 PolarHBondContact O-N 3.12Å; R74-S78 PolarHBondContact O-OG 3.25Å; E75-S78 PolarHBondContact O-N 2.99Å; E75-S78 VanDerWaalsContact O-N 3.16Å; S78-V80 VanDerWaalsContact C-N 3.33Å; S78-V80 PolarHBondContact O-N 3Å; S78-L81 PolarHBondContact O-N 2.64Å; S78-N82 VanDerWaalsContact O-CB 3.25Å; S78-N82 WeakPolarHBondContact O-CB 3.25Å; S78-N82 PolarHBondContact O-N 2.7Å; S78-N82 PolarHBondContact O-ND2 2.88Å; S78-N82 PolarHBondContact O-OD1 3.35Å |
| 79 | Q | 66.4 | Low | 61.3 | Low | 89 Ų | 89 | 63.2 Ų | 63.2 | 42% | 0.416 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.3 | -40 | 170.3 | -70.3 | -175.1 | 22.6 | 0 | 0 | 111.8 | E75 V77 C83 K122 | E75-Q79 WeakPolarHBondContact O-CG 3.25Å; E75-Q79 PolarHBondContact O-N 3.42Å; E75-Q79 PolarHBondContact OE1-NE2 3.3Å; V77-Q79 VanDerWaalsContact C-N 3.33Å; V77-Q79 PolarHBondContact O-N 3.23Å; Q79-C83 PolarHBondContact O-SG 3.48Å; Q79-C83 VanDerWaalsContact O-SG 3.33Å; Q79-K122 PolarHBondContact O-NZ 2.96Å |
| 80 | V | 65.1 | Low | 61.7 | Low | 13 Ų | 13 | 64.6 Ų | 64.6 | 8% | 0.079 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.4 | -48 | 174.7 | 164.8 | 0 | 0 | 0 | 0 | 111.3 | A76 V77 S78 Y84 A118 A119 K122 | A76-V80 VanDerWaalsContact O-CG2 3.27Å; A76-V80 WeakPolarHBondContact O-CG2 3.24Å; A76-V80 PolarHBondContact O-N 3.19Å; V77-V80 CarbonylContact O-C 3.23Å; V77-V80 WeakPolarHBondContact O-CA 3.3Å; V77-V80 WeakPolarHBondContact O-CB 3.38Å; V77-V80 PolarHBondContact O-N 2.87Å; S78-V80 VanDerWaalsContact C-N 3.33Å; S78-V80 PolarHBondContact O-N 3Å; V80-Y84 WeakPolarHBondContact O-CB 3.4Å; V80-Y84 PolarHBondContact O-N 2.85Å; V80-A118 HydrophobicContact CG1-CB 4.03Å; V80-A119 HydrophobicContact CG1-CB 3.94Å; V80-A119 HydrophobicContact CG2-CB 3.93Å; V80-K122 HydrophobicContact CB-CD 4.44Å; V80-K122 HydrophobicContact CG2-CD 4.01Å; V80-K122 PolarHBondContact O-NZ 2.98Å |
| 81 | L | 65.1 | Low | 60.9 | Low | 37 Ų | 37 | 64.1 Ų | 64.1 | 19% | 0.194 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.5 | -53.2 | 178.9 | -75 | 162.6 | 0 | 0 | 0 | 112.4 | V77 S78 C83 Y84 W86 F154 | V77-L81 HydrophobicContact CG1-CD1 3.97Å; V77-L81 WeakPolarHBondContact O-CG 3.38Å; V77-L81 PolarHBondContact O-N 3.08Å; S78-L81 PolarHBondContact O-N 2.64Å; L81-C83 VanDerWaalsContact C-N 3.28Å; L81-C83 PolarHBondContact O-N 2.7Å; L81-Y84 PolarHBondContact O-N 2.71Å; L81-W86 HydrophobicContact CD2-CH2 3.93Å; L81-W86 HydrophobicContact CD2-CZ2 3.69Å; L81-F154 HydrophobicContact CD2-CE2 3.79Å; L81-F154 HydrophobicContact CD2-CZ 3.5Å; L81-F154 HydrophobicContact CG-CZ 4.45Å |
| 82 | N | 66.5 | Low | 60.6 | Low | 140 Ų | 140 | 63.8 Ų | 63.8 | 75% | 0.749 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -63.5 | -28.9 | -168 | -70.9 | -3.8 | 0 | 0 | 0 | 114.3 | S78 | S78-N82 VanDerWaalsContact O-CB 3.25Å; S78-N82 WeakPolarHBondContact O-CB 3.25Å; S78-N82 PolarHBondContact O-N 2.7Å; S78-N82 PolarHBondContact O-ND2 2.88Å; S78-N82 PolarHBondContact O-OD1 3.35Å |
| 83 | C | 54.3 | Low | 59.8 | Low | 88 Ų | 88 | 65.3 Ų | 65.3 | 60% | 0.595 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120 | 42.5 | 170.9 | 42 | 0 | 0 | 0 | 0 | 112.2 | Q79 L81 K122 | Q79-C83 PolarHBondContact O-SG 3.48Å; Q79-C83 VanDerWaalsContact O-SG 3.33Å; L81-C83 VanDerWaalsContact C-N 3.28Å; L81-C83 PolarHBondContact O-N 2.7Å; C83-K122 VanDerWaalsContact O-CE 3.27Å; C83-K122 WeakPolarHBondContact O-CE 3.45Å; C83-K122 PolarHBondContact O-NZ 3.42Å; C83-K122 PolarHBondContact SG-NZ 2.9Å |
| 84 | Y | 57 | Low | 59.1 | Low | 11 Ų | 11 | 73.7 Ų | 73.7 | 4% | 0.043 | 39% | 0.386 | C | S | . | . | trans | -104.2 | 113 | 159.1 | -175.2 | -118.9 | 0 | 0 | 0 | 109.8 | V80 L81 W86 I88 V89 A118 | V80-Y84 WeakPolarHBondContact O-CB 3.4Å; V80-Y84 PolarHBondContact O-N 2.85Å; L81-Y84 PolarHBondContact O-N 2.71Å; Y84-W86 AromaticContact CD1-CD2 3.76Å; Y84-W86 HydrophobicContact CD1-CD2 3.76Å; Y84-W86 AromaticContact CD1-CE3 3.84Å; Y84-W86 HydrophobicContact CD1-CE3 3.84Å; Y84-W86 HydrophobicContact CD1-CG 4.23Å; Y84-W86 HydrophobicContact CD1-CH2 4.45Å; Y84-W86 HydrophobicContact CD1-CZ2 4.36Å; Y84-W86 HydrophobicContact CD1-CZ3 4.19Å; Y84-W86 HydrophobicContact CE1-CD2 4.13Å; Y84-W86 AromaticContact CE1-CE3 3.84Å; Y84-W86 HydrophobicContact CE1-CE3 3.84Å; Y84-W86 HydrophobicContact CE1-CZ3 4.29Å; Y84-W86 VanDerWaalsContact O-CD1 3.23Å; Y84-W86 PolarHBondContact O-N 3.07Å; Y84-W86 PolarHBondContact O-NE1 2.8Å; Y84-I88 VanDerWaalsContact OH-C 3.3Å; Y84-I88 PolarHBondContact OH-O 3.17Å; Y84-V89 HydrophobicContact CE1-CG2 3.73Å; Y84-V89 WeakPolarHBondContact OH-CA 3.34Å; Y84-V89 VanDerWaalsContact OH-CG2 3.24Å; Y84-V89 WeakPolarHBondContact OH-CG2 3.43Å; Y84-V89 PolarHBondContact OH-N 3.3Å; Y84-A118 HydrophobicContact CD1-CB 4.15Å; Y84-A118 HydrophobicContact CD2-CB 3.35Å; Y84-A118 HydrophobicContact CE1-CB 4.36Å; Y84-A118 HydrophobicContact CE2-CB 3.64Å; Y84-A118 HydrophobicContact CG-CB 3.65Å | ||
| 85 | D | 57.7 | Low | 58 | Low | 79 Ų | 79 | 76.7 Ų | 76.7 | 42% | 0.422 | 41% | 0.412 | S | S | . | . | trans | -72.9 | 111.2 | 166.9 | 174.8 | 1 | 0 | 0 | 0 | 109.1 | T87 I88 | D85-T87 PolarHBondContact O-N 3.43Å; D85-T87 VanDerWaalsContact OD1-CB 3.32Å; D85-T87 WeakPolarHBondContact OD1-CB 3.42Å; D85-T87 WeakPolarHBondContact OD1-CG2 3.47Å; D85-T87 PolarHBondContact OD1-N 3.15Å; D85-T87 PolarHBondContact OD1-OG1 3.29Å; D85-T87 PolarHBondContact OD2-OG1 3.14Å; D85-T87 VanDerWaalsContact OD2-OG1 3.08Å; D85-I88 HydrophobicContact CB-CD1 3.8Å; D85-I88 HydrophobicContact CB-CG1 3.87Å; D85-I88 WeakPolarHBondContact O-CB 3.32Å; D85-I88 PolarHBondContact O-N 2.91Å; D85-I88 WeakPolarHBondContact OD2-CG1 3.47Å | ||
| 86 | W | 58.2 | Low | 56.7 | Low | 108 Ų | 108 | 76.2 Ų | 76.2 | 41% | 0.409 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -68.9 | -17.5 | -177.9 | -61.1 | 90.7 | 0 | 0 | 0 | 113.4 | L81 Y84 I88 V89 P153 F154 | L81-W86 HydrophobicContact CD2-CH2 3.93Å; L81-W86 HydrophobicContact CD2-CZ2 3.69Å; Y84-W86 AromaticContact CD1-CD2 3.76Å; Y84-W86 HydrophobicContact CD1-CD2 3.76Å; Y84-W86 AromaticContact CD1-CE3 3.84Å; Y84-W86 HydrophobicContact CD1-CE3 3.84Å; Y84-W86 HydrophobicContact CD1-CG 4.23Å; Y84-W86 HydrophobicContact CD1-CH2 4.45Å; Y84-W86 HydrophobicContact CD1-CZ2 4.36Å; Y84-W86 HydrophobicContact CD1-CZ3 4.19Å; Y84-W86 HydrophobicContact CE1-CD2 4.13Å; Y84-W86 AromaticContact CE1-CE3 3.84Å; Y84-W86 HydrophobicContact CE1-CE3 3.84Å; Y84-W86 HydrophobicContact CE1-CZ3 4.29Å; Y84-W86 VanDerWaalsContact O-CD1 3.23Å; Y84-W86 PolarHBondContact O-N 3.07Å; Y84-W86 PolarHBondContact O-NE1 2.8Å; W86-I88 PolarHBondContact O-N 3.27Å; W86-V89 HydrophobicContact CE3-CG2 4.44Å; W86-V89 WeakPolarHBondContact O-CG2 3.22Å; W86-V89 PolarHBondContact O-N 2.84Å; W86-P153 HydrophobicContact CH2-CB 4.44Å; W86-F154 HydrophobicContact CH2-CD1 4.05Å; W86-F154 AromaticContact CH2-CE1 3.38Å; W86-F154 HydrophobicContact CH2-CE1 3.38Å; W86-F154 HydrophobicContact CH2-CE2 4.41Å; W86-F154 AromaticContact CH2-CZ 3.59Å; W86-F154 HydrophobicContact CH2-CZ 3.59Å; W86-F154 HydrophobicContact CZ2-CZ 4.47Å; W86-F154 AromaticContact CZ3-CD1 3.96Å; W86-F154 HydrophobicContact CZ3-CD1 3.96Å; W86-F154 AromaticContact CZ3-CE1 3.6Å; W86-F154 HydrophobicContact CZ3-CE1 3.6Å; W86-F154 HydrophobicContact CZ3-CZ 4.29Å |
| 87 | T | 56.3 | Low | 55.7 | Low | 121 Ų | 121 | 79.1 Ų | 79.1 | 74% | 0.742 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -67 | -20.7 | 170.5 | 74.2 | 0 | 0 | 0 | 0 | 111.8 | D85 V89 | D85-T87 PolarHBondContact O-N 3.43Å; D85-T87 VanDerWaalsContact OD1-CB 3.32Å; D85-T87 WeakPolarHBondContact OD1-CB 3.42Å; D85-T87 WeakPolarHBondContact OD1-CG2 3.47Å; D85-T87 PolarHBondContact OD1-N 3.15Å; D85-T87 PolarHBondContact OD1-OG1 3.29Å; D85-T87 PolarHBondContact OD2-OG1 3.14Å; D85-T87 VanDerWaalsContact OD2-OG1 3.08Å; T87-V89 VanDerWaalsContact C-N 3.28Å; T87-V89 PolarHBondContact O-N 2.74Å |
| 88 | I | 58.4 | Low | 54.9 | Low | 75 Ų | 75 | 82.5 Ų | 82.5 | 39% | 0.385 | 48% | 0.481 | S | S | . | . | G | 310 helix | trans | -90.6 | 21.2 | 175.5 | -32.3 | 178.6 | 0 | 0 | 0 | 111.8 | Y84 D85 W86 P90 | Y84-I88 VanDerWaalsContact OH-C 3.3Å; Y84-I88 PolarHBondContact OH-O 3.17Å; D85-I88 HydrophobicContact CB-CD1 3.8Å; D85-I88 HydrophobicContact CB-CG1 3.87Å; D85-I88 WeakPolarHBondContact O-CB 3.32Å; D85-I88 PolarHBondContact O-N 2.91Å; D85-I88 WeakPolarHBondContact OD2-CG1 3.47Å; W86-I88 PolarHBondContact O-N 3.27Å; I88-P90 WeakPolarHBondContact O-CD 3.47Å |
| 89 | V | 56.3 | Low | 53.6 | Low | 7 Ų | 7 | 83.5 Ų | 83.5 | 4% | 0.042 | 49% | 0.488 | C | S | . | . | S | Bend | trans | -76.1 | 107.4 | 154.6 | -178.9 | 0 | 0 | 0 | 0 | 106.6 | Y84 W86 T87 M91 M109 V114 E157 L161 | Y84-V89 HydrophobicContact CE1-CG2 3.73Å; Y84-V89 WeakPolarHBondContact OH-CA 3.34Å; Y84-V89 VanDerWaalsContact OH-CG2 3.24Å; Y84-V89 WeakPolarHBondContact OH-CG2 3.43Å; Y84-V89 PolarHBondContact OH-N 3.3Å; W86-V89 HydrophobicContact CE3-CG2 4.44Å; W86-V89 WeakPolarHBondContact O-CG2 3.22Å; W86-V89 PolarHBondContact O-N 2.84Å; T87-V89 VanDerWaalsContact C-N 3.28Å; T87-V89 PolarHBondContact O-N 2.74Å; V89-M91 PolarHBondContact O-N 3.38Å; V89-M109 HydrophobicContact CG1-CE 4.18Å; V89-V114 HydrophobicContact CG1-CG1 4.4Å; V89-V114 HydrophobicContact CG2-CG1 4.3Å; V89-E157 HydrophobicContact CG1-CG 4.21Å; V89-E157 WeakPolarHBondContact CG1-OE1 3.33Å; V89-E157 HydrophobicContact CG2-CG 4.4Å; V89-L161 HydrophobicContact CG1-CD1 3.98Å |
| 90 | P | 55.3 | Low | 52.8 | Low | 67 Ų | 67 | 89.9 Ų | 89.9 | 44% | 0.435 | 51% | 0.514 | S | S | . | . | trans | -76.1 | 96.2 | -169.9 | -11.6 | 29.5 | 0 | 0 | 0 | 108.7 | I88 | I88-P90 WeakPolarHBondContact O-CD 3.47Š| ||
| 91 | M | 49.3 | Very low | 52.1 | Low | 75 Ų | 75 | 93.2 Ų | 93.2 | 37% | 0.369 | 54% | 0.538 | S | S | . | . | trans | -52.5 | 131.5 | 163.4 | -67.4 | -169.6 | 68.1 | 0 | 0 | 107.3 | V89 V93 R160 L161 Q164 | V89-M91 PolarHBondContact O-N 3.38Å; M91-V93 HydrophobicContact CB-CG2 4.41Å; M91-V93 PolarHBondContact O-N 3.01Å; M91-R160 PolarHBondContact SD-NH1 3.37Å; M91-L161 HydrophobicContact CG-CD2 4.4Å; M91-Q164 HydrophobicContact CE-CG 3.78Å | ||
| 92 | P | 54.5 | Low | 51.7 | Low | 64 Ų | 64 | 101 Ų | 101 | 42% | 0.416 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -72.8 | 31.6 | -172.7 | 28.4 | -34.8 | 0 | 0 | 0 | 114.1 | R94 | P92-R94 PolarHBondContact O-N 2.87Å; P92-R94 VanDerWaalsContact O-N 3.14Å |
| 93 | V | 45.4 | Very low | 52.4 | Low | 77 Ų | 77 | 100 Ų | 100 | 47% | 0.467 | 58% | 0.575 | S | S | . | * | trans | -86.2 | 80 | 176.6 | -170.5 | 0 | 0 | 0 | 0 | 109.9 | M91 | M91-V93 HydrophobicContact CB-CG2 4.41Å; M91-V93 PolarHBondContact O-N 3.01Å | ||
| 94 | R | 49.8 | Very low | 53.9 | Low | 208 Ų | 208 | 103.1 Ų | 103.1 | 79% | 0.785 | 58% | 0.58 | S | S | * | * | trans | 55.7 | 78.6 | 144.7 | -60.1 | -178.6 | -79.6 | -126.7 | -1.4 | 118.1 | P92 | P92-R94 PolarHBondContact O-N 2.87Å; P92-R94 VanDerWaalsContact O-N 3.14Å | ||
| 95 | V | 38.8 | Very low | 55.6 | Low | 140 Ų | 140 | 104.3 Ų | 104.3 | 85% | 0.848 | 59% | 0.589 | S | S | * | * | trans | -123.4 | 105.8 | 136 | -170.8 | 0 | 0 | 0 | 0 | 108.8 | A97 | V95-A97 PolarHBondContact O-N 3.19Å; V95-A97 VanDerWaalsContact O-N 3.14Å | ||
| 96 | S | 44.3 | Very low | 57.3 | Low | 105 Ų | 105 | 108.4 Ų | 108.4 | 73% | 0.734 | 60% | 0.603 | S | S | * | * | trans | -86.6 | 78 | -177.9 | -177 | 0 | 0 | 0 | 0 | 111.1 | G98 | S96-G98 VanDerWaalsContact C-N 3.34Å; S96-G98 PolarHBondContact O-N 3.29Å | ||
| 97 | A | 42.7 | Very low | 59.1 | Low | 97 Ų | 97 | 110.6 Ų | 110.6 | 80% | 0.802 | 61% | 0.611 | S | S | * | * | trans | -70.5 | 83 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V95 | V95-A97 PolarHBondContact O-N 3.19Å; V95-A97 VanDerWaalsContact O-N 3.14Å | ||
| 98 | G | 44.2 | Very low | 60.9 | Low | 77 Ų | 77 | 106.7 Ų | 106.7 | 79% | 0.794 | 59% | 0.588 | S | S | * | * | S | Bend | trans | 92.7 | -1.2 | 148.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | S96 | S96-G98 VanDerWaalsContact C-N 3.34Å; S96-G98 PolarHBondContact O-N 3.29Å |
| 99 | S | 40.8 | Very low | 62.7 | Low | 75 Ų | 75 | 105.5 Ų | 105.5 | 52% | 0.524 | 58% | 0.581 | S | S | . | * | trans | -96.2 | 117.8 | -179.8 | 64.8 | 0 | 0 | 0 | 0 | 113.9 | S101 | S99-S101 PolarHBondContact O-N 3.37Å; S99-S101 PolarHBondContact OG-OG 3.41Å | ||
| 100 | K | 48.8 | Very low | 64.7 | Low | 223 Ų | 223 | 109.6 Ų | 109.6 | 97% | 0.97 | 60% | 0.603 | S | S | * | * | trans | -71.7 | 15.9 | 175.6 | -62.2 | -178.9 | -179.8 | 177.2 | 0 | 114.7 | ||||
| 101 | S | 50.5 | Low | 66.6 | Low | 83 Ų | 83 | 107 Ų | 107 | 58% | 0.58 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -83.8 | 142.2 | 176.8 | 50.9 | 0 | 0 | 0 | 0 | 111.3 | S99 S103 | S99-S101 PolarHBondContact O-N 3.37Å; S99-S101 PolarHBondContact OG-OG 3.41Å; S101-S103 PolarHBondContact O-N 3.41Å |
| 102 | K | 57.4 | Low | 68.8 | Low | 201 Ų | 201 | 105.7 Ų | 105.7 | 87% | 0.874 | 58% | 0.579 | S | S | * | * | trans | -42.7 | 136.7 | 170.3 | -57.4 | -179.5 | -178 | -175.1 | 0 | 110.4 | H104 | K102-H104 VanDerWaalsContact C-N 3.31Å; K102-H104 PolarHBondContact O-N 3.49Å | ||
| 103 | S | 80.3 | Confident | 70.9 | Confident | 119 Ų | 119 | 107 Ų | 107 | 83% | 0.832 | 58% | 0.581 | S | S | * | * | trans | -60.6 | 80.5 | -170 | 43.3 | 0 | 0 | 0 | 0 | 113.7 | S101 V105 | S101-S103 PolarHBondContact O-N 3.41Å; S103-V105 PolarHBondContact O-N 2.89Å | ||
| 104 | H | 86.5 | Confident | 73.2 | Confident | 153 Ų | 153 | 103.4 Ų | 103.4 | 71% | 0.708 | 56% | 0.559 | S | S | * | * | trans | -76.8 | 109.6 | 179.7 | -180 | 56.4 | 0 | 0 | 0 | 110.6 | K102 K106 | K102-H104 VanDerWaalsContact C-N 3.31Å; K102-H104 PolarHBondContact O-N 3.49Å; H104-K106 PolarHBondContact O-N 3.33Å; H104-K106 VanDerWaalsContact O-N 3.09Å | ||
| 105 | V | 91.7 | Very high | 75.3 | Confident | 37 Ų | 37 | 93.6 Ų | 93.6 | 22% | 0.224 | 52% | 0.522 | C | S | . | . | trans | -60.4 | 110.3 | 173.9 | 179.1 | 0 | 0 | 0 | 0 | 109.5 | S103 H165 Y169 Y172 | S103-V105 PolarHBondContact O-N 2.89Å; V105-H165 WeakPolarHBondContact CG1-CE1 3.27Å; V105-Y169 HydrophobicContact CG1-CD1 4.03Å; V105-Y169 HydrophobicContact CG1-CD2 3.72Å; V105-Y169 HydrophobicContact CG1-CE1 4.21Å; V105-Y169 HydrophobicContact CG1-CE2 3.91Å; V105-Y169 HydrophobicContact CG1-CG 3.78Å; V105-Y169 HydrophobicContact CG2-CD1 3.72Å; V105-Y169 HydrophobicContact CG2-CE1 3.66Å; V105-Y169 HydrophobicContact CG2-CG 4.31Å; V105-Y172 HydrophobicContact CB-CD2 3.88Å; V105-Y172 HydrophobicContact CB-CE2 3.84Å; V105-Y172 HydrophobicContact CG1-CD2 3.48Å; V105-Y172 VanDerWaalsContact CG1-CD2 3.48Å; V105-Y172 HydrophobicContact CG1-CE2 3.62Å; V105-Y172 HydrophobicContact CG1-CG 4.43Å; V105-Y172 WeakPolarHBondContact O-CE2 3.46Å | ||
| 106 | K | 93.4 | Very high | 78 | Confident | 165 Ų | 165 | 86.9 Ų | 86.9 | 72% | 0.717 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 145.1 | 174.8 | -68.8 | 174.9 | 64.5 | -175.8 | 0 | 109.5 | H104 H165 | H104-K106 PolarHBondContact O-N 3.33Å; H104-K106 VanDerWaalsContact O-N 3.09Å; K106-H165 PolarHBondContact O-CE1 3.12Å |
| 107 | R | 95.8 | Very high | 80.3 | Confident | 153 Ų | 153 | 84.9 Ų | 84.9 | 58% | 0.577 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -56.7 | 150.3 | 172.8 | -55.2 | 179.8 | -151.6 | -158.4 | 6.5 | 110.9 | Y172 Y174 | R107-Y172 WeakPolarHBondContact CG-OH 3.13Å; R107-Y174 VanDerWaalsContact CZ-CZ 3.49Å; R107-Y174 VanDerWaalsContact NH1-CZ 3.31Å; R107-Y174 PolarHBondContact NH1-OH 2.78Å; R107-Y174 PolarHBondContact NH2-OH 2.93Å; R107-Y174 VanDerWaalsContact NH2-OH 3.08Å |
| 108 | P | 95.4 | Very high | 82.4 | Confident | 40 Ų | 40 | 80.3 Ų | 80.3 | 26% | 0.26 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 154.4 | 163.6 | 28.9 | -33.4 | 0 | 0 | 0 | 110.2 | H165 | P108-H165 HydrophobicContact CB-CB 3.99Å; P108-H165 HydrophobicContact CG-CB 4.15Å |
| 109 | M | 96 | Very high | 84.6 | Confident | 49 Ų | 49 | 76.8 Ų | 76.8 | 24% | 0.241 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -76.7 | 141.4 | 175.7 | -62.4 | -167.7 | -70.6 | 0 | 0 | 110.1 | V89 M113 V114 L161 | V89-M109 HydrophobicContact CG1-CE 4.18Å; M109-M113 HydrophobicContact CB-CB 4.06Å; M109-M113 HydrophobicContact CG-CB 4.44Å; M109-V114 HydrophobicContact CB-CG2 3.8Å; M109-V114 HydrophobicContact CE-CG2 4.36Å; M109-L161 HydrophobicContact CB-CD1 4.3Å; M109-L161 HydrophobicContact CE-CD1 4.14Å |
| 110 | N | 97.3 | Very high | 87 | Confident | 93 Ų | 93 | 75.7 Ų | 75.7 | 50% | 0.497 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -88 | 168.9 | 168.1 | 70.4 | 5 | 0 | 0 | 0 | 110.3 | F112 M113 V114 | N110-F112 VanDerWaalsContact C-N 3.31Å; N110-F112 PolarHBondContact O-N 3.01Å; N110-M113 WeakPolarHBondContact O-CA 3.27Å; N110-M113 PolarHBondContact O-N 2.87Å; N110-M113 WeakPolarHBondContact OD1-CB 3.37Å; N110-M113 WeakPolarHBondContact OD1-CG 3.43Å; N110-M113 PolarHBondContact OD1-N 3.3Å; N110-V114 PolarHBondContact O-N 2.83Å |
| 111 | A | 95.9 | Very high | 89 | Confident | 14 Ų | 14 | 69.5 Ų | 69.5 | 12% | 0.116 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -51.2 | -47.5 | -174 | 0 | 0 | 0 | 0 | 0 | 113.4 | M113 V114 W115 W143 F154 I155 A158 | A111-M113 VanDerWaalsContact C-N 3.33Å; A111-M113 PolarHBondContact O-N 2.94Å; A111-V114 PolarHBondContact O-N 3.46Å; A111-W115 PolarHBondContact O-N 3.01Å; A111-W143 HydrophobicContact CB-CH2 3.76Å; A111-W143 HydrophobicContact CB-CZ2 3.88Å; A111-F154 WeakPolarHBondContact CA-O 3.45Å; A111-F154 HydrophobicContact CB-CB 4.23Å; A111-F154 WeakPolarHBondContact CB-O 3.36Å; A111-I155 HydrophobicContact CB-CB 4.4Å; A111-I155 HydrophobicContact CB-CG1 3.74Å; A111-A158 HydrophobicContact CB-CB 4.16Å; A111-A158 VanDerWaalsContact N-CB 3.25Å |
| 112 | F | 96.3 | Very high | 90.8 | Very high | 46 Ų | 46 | 67.2 Ų | 67.2 | 20% | 0.202 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.6 | -41.8 | 174.6 | 172.4 | -101.8 | 0 | 0 | 0 | 112.8 | N110 W115 A116 W143 | N110-F112 VanDerWaalsContact C-N 3.31Å; N110-F112 PolarHBondContact O-N 3.01Å; F112-W115 HydrophobicContact CD2-CE3 4.02Å; F112-W115 HydrophobicContact CD2-CZ3 4.09Å; F112-W115 HydrophobicContact CE2-CE3 4.14Å; F112-W115 AromaticContact CE2-CZ3 3.77Å; F112-W115 HydrophobicContact CE2-CZ3 3.77Å; F112-A116 HydrophobicContact CE1-CB 4.29Å; F112-A116 HydrophobicContact CE2-CB 4.3Å; F112-A116 HydrophobicContact CZ-CB 4.15Å; F112-A116 WeakPolarHBondContact O-CA 3.41Å; F112-A116 WeakPolarHBondContact O-CB 3.31Å; F112-A116 PolarHBondContact O-N 3.48Å; F112-W143 HydrophobicContact CB-CD2 4.25Å; F112-W143 HydrophobicContact CD2-CB 3.69Å; F112-W143 AromaticContact CD2-CD1 3.9Å; F112-W143 AromaticContact CD2-CD2 3.89Å; F112-W143 HydrophobicContact CD2-CD2 3.89Å; F112-W143 HydrophobicContact CD2-CE3 4.45Å; F112-W143 AromaticContact CD2-CG 3.52Å; F112-W143 HydrophobicContact CD2-CG 3.52Å; F112-W143 HydrophobicContact CE2-CB 3.9Å; F112-W143 HydrophobicContact CE2-CG 4.23Å; F112-W143 HydrophobicContact CG-CG 4.48Å |
| 113 | M | 96.8 | Very high | 92.2 | Very high | 92 Ų | 92 | 59.4 Ų | 59.4 | 45% | 0.453 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -72.1 | -33.8 | -180 | -70.4 | -69.4 | 176.2 | 0 | 0 | 112.7 | M109 N110 A111 Q117 | M109-M113 HydrophobicContact CB-CB 4.06Å; M109-M113 HydrophobicContact CG-CB 4.44Å; N110-M113 WeakPolarHBondContact O-CA 3.27Å; N110-M113 PolarHBondContact O-N 2.87Å; N110-M113 WeakPolarHBondContact OD1-CB 3.37Å; N110-M113 WeakPolarHBondContact OD1-CG 3.43Å; N110-M113 PolarHBondContact OD1-N 3.3Å; A111-M113 VanDerWaalsContact C-N 3.33Å; A111-M113 PolarHBondContact O-N 2.94Å; M113-Q117 PolarHBondContact O-N 2.85Å; M113-Q117 VanDerWaalsContact O-N 3.08Å |
| 114 | V | 94.6 | Very high | 92.6 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.7 | -56.6 | 172.7 | -177.9 | 0 | 0 | 0 | 0 | 109.6 | V89 M109 N110 A111 A116 Q117 F154 E157 A158 L161 | V89-V114 HydrophobicContact CG1-CG1 4.4Å; V89-V114 HydrophobicContact CG2-CG1 4.3Å; M109-V114 HydrophobicContact CB-CG2 3.8Å; M109-V114 HydrophobicContact CE-CG2 4.36Å; N110-V114 PolarHBondContact O-N 2.83Å; A111-V114 PolarHBondContact O-N 3.46Å; V114-A116 PolarHBondContact O-N 3.31Å; V114-Q117 WeakPolarHBondContact O-CB 3.24Å; V114-Q117 PolarHBondContact O-N 3.44Å; V114-F154 HydrophobicContact CB-CD1 4.43Å; V114-F154 HydrophobicContact CG1-CD1 4.03Å; V114-E157 HydrophobicContact CG1-CG 3.99Å; V114-A158 HydrophobicContact CG2-CB 4.4Å; V114-L161 HydrophobicContact CG2-CD1 3.87Å |
| 115 | W | 94.5 | Very high | 92.6 | Very high | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.008 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.2 | -47.5 | 177.1 | 168.8 | 84.6 | 0 | 0 | 0 | 112.7 | A111 F112 Q117 A118 A119 L139 L142 W143 F154 | A111-W115 PolarHBondContact O-N 3.01Å; F112-W115 HydrophobicContact CD2-CE3 4.02Å; F112-W115 HydrophobicContact CD2-CZ3 4.09Å; F112-W115 HydrophobicContact CE2-CE3 4.14Å; F112-W115 AromaticContact CE2-CZ3 3.77Å; F112-W115 HydrophobicContact CE2-CZ3 3.77Å; W115-Q117 PolarHBondContact O-N 3.3Å; W115-A118 PolarHBondContact O-N 3.39Å; W115-A118 VanDerWaalsContact O-N 3.13Å; W115-A119 HydrophobicContact CD2-CB 4.36Å; W115-A119 HydrophobicContact CH2-CB 4.29Å; W115-A119 HydrophobicContact CZ2-CB 3.94Å; W115-A119 PolarHBondContact O-N 2.87Å; W115-L139 HydrophobicContact CH2-CB 3.98Å; W115-L139 HydrophobicContact CH2-CD2 3.47Å; W115-L139 VanDerWaalsContact CH2-CD2 3.47Å; W115-L139 HydrophobicContact CH2-CG 4.35Å; W115-L139 VanDerWaalsContact CH2-O 3.29Å; W115-L139 WeakPolarHBondContact CH2-O 3.4Å; W115-L139 HydrophobicContact CZ2-CD2 4.16Å; W115-L139 HydrophobicContact CZ3-CB 3.85Å; W115-L139 HydrophobicContact CZ3-CD2 3.82Å; W115-L139 HydrophobicContact CZ3-CG 4.44Å; W115-L139 WeakPolarHBondContact CZ3-O 3.35Å; W115-L142 HydrophobicContact CH2-CB 3.82Å; W115-L142 HydrophobicContact CZ2-CB 4.06Å; W115-W143 HydrophobicContact CB-CE3 3.88Å; W115-W143 HydrophobicContact CB-CZ3 3.53Å; W115-W143 AromaticContact CD2-CE3 3.57Å; W115-W143 HydrophobicContact CD2-CE3 3.57Å; W115-W143 HydrophobicContact CD2-CZ3 4.13Å; W115-W143 HydrophobicContact CE3-CB 4.14Å; W115-W143 HydrophobicContact CE3-CD2 4.31Å; W115-W143 AromaticContact CE3-CE3 3.61Å; W115-W143 HydrophobicContact CE3-CE3 3.61Å; W115-W143 HydrophobicContact CE3-CZ3 4.46Å; W115-W143 AromaticContact CG-CE3 3.68Å; W115-W143 HydrophobicContact CG-CE3 3.68Å; W115-W143 AromaticContact CG-CZ3 3.71Å; W115-W143 HydrophobicContact CG-CZ3 3.71Å; W115-W143 HydrophobicContact CH2-CB 4.15Å; W115-W143 HydrophobicContact CZ3-CB 3.77Å; W115-W143 HydrophobicContact CZ3-CE3 4.4Å; W115-F154 HydrophobicContact CB-CB 4.39Å; W115-F154 HydrophobicContact CB-CD1 3.67Å; W115-F154 HydrophobicContact CB-CD2 4.03Å; W115-F154 HydrophobicContact CB-CE1 3.84Å; W115-F154 HydrophobicContact CB-CE2 4.2Å; W115-F154 HydrophobicContact CB-CG 3.76Å; W115-F154 HydrophobicContact CB-CZ 4.11Å; W115-F154 AromaticContact CD1-CE2 3.54Å; W115-F154 AromaticContact CD1-CZ 3.55Å; W115-F154 HydrophobicContact CG-CD2 4.41Å; W115-F154 HydrophobicContact CG-CE1 4.42Å; W115-F154 HydrophobicContact CG-CE2 4.23Å; W115-F154 HydrophobicContact CG-CZ 4.23Å |
| 116 | A | 94.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -69 | -16.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F112 V114 R120 L139 | F112-A116 HydrophobicContact CE1-CB 4.29Å; F112-A116 HydrophobicContact CE2-CB 4.3Å; F112-A116 HydrophobicContact CZ-CB 4.15Å; F112-A116 WeakPolarHBondContact O-CA 3.41Å; F112-A116 WeakPolarHBondContact O-CB 3.31Å; F112-A116 PolarHBondContact O-N 3.48Å; V114-A116 PolarHBondContact O-N 3.31Å; A116-R120 WeakPolarHBondContact O-CB 3.15Å; A116-R120 PolarHBondContact O-N 3.32Å; A116-R120 VanDerWaalsContact O-N 3.07Å; A116-R120 PolarHBondContact O-NH1 3.32Å; A116-L139 HydrophobicContact CB-CD1 4.39Å |
| 117 | Q | 92.1 | Very high | 91.8 | Very high | 63 Ų | 63 | 52.6 Ų | 52.6 | 29% | 0.294 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -69 | -46.9 | 170.5 | -169.5 | 179.8 | -67.3 | 0 | 0 | 110.6 | M113 V114 W115 R121 | M113-Q117 PolarHBondContact O-N 2.85Å; M113-Q117 VanDerWaalsContact O-N 3.08Å; V114-Q117 WeakPolarHBondContact O-CB 3.24Å; V114-Q117 PolarHBondContact O-N 3.44Å; W115-Q117 PolarHBondContact O-N 3.3Å; Q117-R121 PolarHBondContact O-N 3.34Å |
| 118 | A | 87.9 | Confident | 91.3 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.008 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.5 | -51.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V80 Y84 W115 R120 R121 K122 | V80-A118 HydrophobicContact CG1-CB 4.03Å; Y84-A118 HydrophobicContact CD1-CB 4.15Å; Y84-A118 HydrophobicContact CD2-CB 3.35Å; Y84-A118 HydrophobicContact CE1-CB 4.36Å; Y84-A118 HydrophobicContact CE2-CB 3.64Å; Y84-A118 HydrophobicContact CG-CB 3.65Å; W115-A118 PolarHBondContact O-N 3.39Å; W115-A118 VanDerWaalsContact O-N 3.13Å; A118-R120 PolarHBondContact O-N 3.49Å; A118-R121 PolarHBondContact O-N 2.81Å; A118-K122 PolarHBondContact O-N 2.99Å |
| 119 | A | 89.6 | Confident | 90.9 | Very high | 2 Ų | 2 | 55.7 Ų | 55.7 | 2% | 0.017 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.1 | -37.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V80 W115 R121 L123 L139 | V80-A119 HydrophobicContact CG1-CB 3.94Å; V80-A119 HydrophobicContact CG2-CB 3.93Å; W115-A119 HydrophobicContact CD2-CB 4.36Å; W115-A119 HydrophobicContact CH2-CB 4.29Å; W115-A119 HydrophobicContact CZ2-CB 3.94Å; W115-A119 PolarHBondContact O-N 2.87Å; A119-R121 PolarHBondContact O-N 3.26Å; A119-L123 WeakPolarHBondContact O-CG 3.4Å; A119-L123 PolarHBondContact O-N 2.87Å; A119-L123 VanDerWaalsContact O-N 3.12Å; A119-L139 HydrophobicContact CB-CD2 3.33Å |
| 120 | R | 92.7 | Very high | 90.5 | Very high | 53 Ų | 53 | 56.8 Ų | 56.8 | 20% | 0.2 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.2 | -37 | 177 | -178.4 | -179.6 | -76.8 | 103.4 | -6.6 | 112.8 | A116 A118 A124 N132 L135 S136 L139 | A116-R120 WeakPolarHBondContact O-CB 3.15Å; A116-R120 PolarHBondContact O-N 3.32Å; A116-R120 VanDerWaalsContact O-N 3.07Å; A116-R120 PolarHBondContact O-NH1 3.32Å; A118-R120 PolarHBondContact O-N 3.49Å; R120-A124 VanDerWaalsContact O-CB 3.28Å; R120-A124 WeakPolarHBondContact O-CB 3.49Å; R120-A124 PolarHBondContact O-N 3.29Å; R120-N132 VanDerWaalsContact CD-OD1 3.31Å; R120-N132 WeakPolarHBondContact CD-OD1 3.47Å; R120-L135 HydrophobicContact CG-CD1 4.43Å; R120-S136 PolarHBondContact NH2-OG 2.86Å; R120-L139 HydrophobicContact CB-CD1 3.64Å; R120-L139 HydrophobicContact CG-CD1 4.25Å |
| 121 | R | 90.6 | Very high | 90.2 | Very high | 93 Ų | 93 | 58.9 Ų | 58.9 | 35% | 0.351 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.6 | -57.9 | 177.4 | -175.2 | 168.4 | 67.4 | -151.6 | 3.8 | 109.5 | Q117 A118 A119 L123 A124 D125 | Q117-R121 PolarHBondContact O-N 3.34Å; A118-R121 PolarHBondContact O-N 2.81Å; A119-R121 PolarHBondContact O-N 3.26Å; R121-L123 VanDerWaalsContact C-N 3.34Å; R121-L123 PolarHBondContact O-N 3.01Å; R121-A124 CarbonylContact O-C 3.6Å; R121-A124 WeakPolarHBondContact O-CA 3.25Å; R121-A124 WeakPolarHBondContact O-CB 3.48Å; R121-A124 PolarHBondContact O-N 3.07Å; R121-D125 VanDerWaalsContact C-OD2 3.25Å; R121-D125 WeakPolarHBondContact CG-OD2 3.45Å; R121-D125 PolarHBondContact O-N 2.83Å |
| 122 | K | 87.4 | Confident | 89.9 | Confident | 35 Ų | 35 | 62.1 Ų | 62.1 | 15% | 0.152 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -55.7 | -42 | 179.4 | -72.9 | 174.1 | 170.1 | 177.2 | 0 | 114 | Q79 V80 C83 A118 D125 Q126 | Q79-K122 PolarHBondContact O-NZ 2.96Å; V80-K122 HydrophobicContact CB-CD 4.44Å; V80-K122 HydrophobicContact CG2-CD 4.01Å; V80-K122 PolarHBondContact O-NZ 2.98Å; C83-K122 VanDerWaalsContact O-CE 3.27Å; C83-K122 WeakPolarHBondContact O-CE 3.45Å; C83-K122 PolarHBondContact O-NZ 3.42Å; C83-K122 PolarHBondContact SG-NZ 2.9Å; A118-K122 PolarHBondContact O-N 2.99Å; K122-D125 PolarHBondContact O-N 2.94Å; K122-Q126 WeakPolarHBondContact O-CG 3.25Å; K122-Q126 PolarHBondContact O-N 3.19Å; K122-Q126 VanDerWaalsContact O-N 3.09Å |
| 123 | L | 86 | Confident | 89.8 | Confident | 36 Ų | 36 | 62.2 Ų | 62.2 | 19% | 0.188 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -70.1 | -30.9 | 175.6 | -68.9 | 175.6 | 0 | 0 | 0 | 113.4 | A119 R121 H127 L135 L139 | A119-L123 WeakPolarHBondContact O-CG 3.4Å; A119-L123 PolarHBondContact O-N 2.87Å; A119-L123 VanDerWaalsContact O-N 3.12Å; R121-L123 VanDerWaalsContact C-N 3.34Å; R121-L123 PolarHBondContact O-N 3.01Å; L123-H127 WeakPolarHBondContact O-CB 3.27Å; L123-H127 PolarHBondContact O-N 2.9Å; L123-L135 HydrophobicContact CB-CD2 4.07Å; L123-L139 HydrophobicContact CD1-CD2 3.79Å; L123-L139 HydrophobicContact CD1-CG 4.08Å |
| 124 | A | 88.8 | Confident | 89.5 | Confident | 30 Ų | 30 | 61.7 Ų | 61.7 | 25% | 0.248 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -74.9 | -34.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | R120 R121 Q126 H127 P128 L135 | R120-A124 VanDerWaalsContact O-CB 3.28Å; R120-A124 WeakPolarHBondContact O-CB 3.49Å; R120-A124 PolarHBondContact O-N 3.29Å; R121-A124 CarbonylContact O-C 3.6Å; R121-A124 WeakPolarHBondContact O-CA 3.25Å; R121-A124 WeakPolarHBondContact O-CB 3.48Å; R121-A124 PolarHBondContact O-N 3.07Å; A124-Q126 VanDerWaalsContact C-N 3.35Å; A124-H127 CarbonylContact O-C 3.5Å; A124-H127 VanDerWaalsContact O-C 3.23Å; A124-H127 PolarHBondContact O-N 3.46Å; A124-P128 VanDerWaalsContact O-CA 3.26Å; A124-P128 WeakPolarHBondContact O-CA 3.27Å; A124-L135 HydrophobicContact CB-CD1 3.9Å |
| 125 | D | 86.9 | Confident | 89.3 | Confident | 114 Ų | 114 | 61.8 Ų | 61.8 | 61% | 0.61 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -65.5 | -39.3 | 175.2 | -54.5 | -34.8 | 0 | 0 | 0 | 110.7 | R121 K122 | R121-D125 VanDerWaalsContact C-OD2 3.25Å; R121-D125 WeakPolarHBondContact CG-OD2 3.45Å; R121-D125 PolarHBondContact O-N 2.83Å; K122-D125 PolarHBondContact O-N 2.94Å |
| 126 | Q | 85.3 | Confident | 89.2 | Confident | 114 Ų | 114 | 63.7 Ų | 63.7 | 53% | 0.533 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -74.4 | -34.7 | 173.7 | -70.9 | 173.3 | -8.2 | 0 | 0 | 113.4 | K122 A124 | K122-Q126 WeakPolarHBondContact O-CG 3.25Å; K122-Q126 PolarHBondContact O-N 3.19Å; K122-Q126 VanDerWaalsContact O-N 3.09Å; A124-Q126 VanDerWaalsContact C-N 3.35Å |
| 127 | H | 83.2 | Confident | 89.2 | Confident | 74 Ų | 74 | 69.3 Ų | 69.3 | 34% | 0.343 | 35% | 0.351 | S | S | . | . | trans | -129.2 | 68.8 | -176.2 | -59 | -80.1 | 0 | 0 | 0 | 112.4 | L123 A124 H129 L130 | L123-H127 WeakPolarHBondContact O-CB 3.27Å; L123-H127 PolarHBondContact O-N 2.9Å; A124-H127 CarbonylContact O-C 3.5Å; A124-H127 VanDerWaalsContact O-C 3.23Å; A124-H127 PolarHBondContact O-N 3.46Å; H127-H129 AromaticContact ND1-NE2 3.96Å; H127-H129 PolarHBondContact O-N 3.09Å; H127-L130 HydrophobicContact CB-CB 3.98Å; H127-L130 HydrophobicContact CB-CD1 3.59Å; H127-L130 HydrophobicContact CB-CG 3.76Å; H127-L130 PolarHBondContact O-N 3.43Å | ||
| 128 | P | 85.9 | Confident | 89 | Confident | 110 Ų | 110 | 69.5 Ų | 69.5 | 71% | 0.714 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -15.6 | -175.8 | 25 | -35.3 | 0 | 0 | 0 | 114 | A124 | A124-P128 VanDerWaalsContact O-CA 3.26Å; A124-P128 WeakPolarHBondContact O-CA 3.27Å |
| 129 | H | 85.8 | Confident | 89.3 | Confident | 148 Ų | 148 | 69.4 Ų | 69.4 | 69% | 0.685 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -13.4 | 174.4 | 54.4 | -97.5 | 0 | 0 | 0 | 113.9 | H127 | H127-H129 AromaticContact ND1-NE2 3.96Å; H127-H129 PolarHBondContact O-N 3.09Å |
| 130 | L | 88.7 | Confident | 89.5 | Confident | 71 Ų | 71 | 70.5 Ų | 70.5 | 37% | 0.372 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -81.3 | 126.6 | 179.8 | -76.8 | -177 | 0 | 0 | 0 | 111.6 | H127 L135 | H127-L130 HydrophobicContact CB-CB 3.98Å; H127-L130 HydrophobicContact CB-CD1 3.59Å; H127-L130 HydrophobicContact CB-CG 3.76Å; H127-L130 PolarHBondContact O-N 3.43Å; L130-L135 HydrophobicContact CB-CD2 3.86Å; L130-L135 HydrophobicContact CB-CG 4.34Å; L130-L135 HydrophobicContact CD1-CD2 4.02Å |
| 131 | H | 91.5 | Very high | 89.4 | Confident | 137 Ų | 137 | 74.9 Ų | 74.9 | 63% | 0.634 | 39% | 0.388 | S | S | * | . | trans | -68.3 | 143.4 | 179 | -170.6 | 65.8 | 0 | 0 | 0 | 112 | A133 E134 L135 | H131-A133 PolarHBondContact CD2-N 2.97Å; H131-A133 PolarHBondContact O-N 3.33Å; H131-E134 PolarHBondContact O-N 3.2Å; H131-L135 PolarHBondContact O-N 2.79Å | ||
| 132 | N | 89.4 | Confident | 89.4 | Confident | 83 Ų | 83 | 71.8 Ų | 71.8 | 44% | 0.444 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -58.9 | -22.1 | -173.8 | -96.7 | -87.4 | 0 | 0 | 0 | 114.8 | R120 S136 | R120-N132 VanDerWaalsContact CD-OD1 3.31Å; R120-N132 WeakPolarHBondContact CD-OD1 3.47Å; N132-S136 VanDerWaalsContact O-CB 3.32Å; N132-S136 WeakPolarHBondContact O-CB 3.4Å; N132-S136 PolarHBondContact O-N 3.02Å; N132-S136 PolarHBondContact O-OG 3Å |
| 133 | A | 93.3 | Very high | 89.7 | Confident | 47 Ų | 47 | 72.2 Ų | 72.2 | 39% | 0.388 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.8 | -44 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112 | H131 S136 K137 | H131-A133 PolarHBondContact CD2-N 2.97Å; H131-A133 PolarHBondContact O-N 3.33Å; A133-S136 PolarHBondContact O-N 2.72Å; A133-K137 WeakPolarHBondContact O-CG 3.38Å; A133-K137 PolarHBondContact O-N 3.02Å |
| 134 | E | 91 | Very high | 90 | Very high | 81 Ų | 81 | 80.4 Ų | 80.4 | 38% | 0.379 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -68.5 | -44.8 | 179.5 | -55.8 | -47 | 124.1 | 0 | 0 | 111.1 | H131 S136 K137 T138 | H131-E134 PolarHBondContact O-N 3.2Å; E134-S136 PolarHBondContact O-N 3.2Å; E134-K137 WeakPolarHBondContact O-CB 3.5Å; E134-K137 PolarHBondContact O-N 3.31Å; E134-K137 VanDerWaalsContact OE1-CE 3.28Å; E134-K137 WeakPolarHBondContact OE1-CE 3.47Å; E134-K137 IonicContact OE1-NZ 2.68Å; E134-K137 PolarHBondContact OE1-NZ 3.33Å; E134-K137 WeakPolarHBondContact OE2-CD 3.46Å; E134-K137 VanDerWaalsContact OE2-CE 3.3Å; E134-K137 WeakPolarHBondContact OE2-CE 3.29Å; E134-K137 IonicContact OE2-NZ 3.78Å; E134-K137 PolarHBondContact OE2-NZ 2.9Å; E134-T138 PolarHBondContact O-N 2.76Å; E134-T138 PolarHBondContact O-OG1 3.48Å |
| 135 | L | 89.6 | Confident | 90.1 | Very high | 4 Ų | 4 | 82.1 Ų | 82.1 | 2% | 0.021 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -52.9 | -43.8 | 170.8 | -59 | -175 | 0 | 0 | 0 | 110.8 | R120 L123 A124 L130 H131 K137 T138 L139 | R120-L135 HydrophobicContact CG-CD1 4.43Å; L123-L135 HydrophobicContact CB-CD2 4.07Å; A124-L135 HydrophobicContact CB-CD1 3.9Å; L130-L135 HydrophobicContact CB-CD2 3.86Å; L130-L135 HydrophobicContact CB-CG 4.34Å; L130-L135 HydrophobicContact CD1-CD2 4.02Å; H131-L135 PolarHBondContact O-N 2.79Å; L135-K137 PolarHBondContact O-N 3.23Å; L135-T138 PolarHBondContact O-N 2.8Å; L135-L139 WeakPolarHBondContact O-CB 3.48Å; L135-L139 WeakPolarHBondContact O-CD1 3.46Å; L135-L139 WeakPolarHBondContact O-CG 3.22Å; L135-L139 PolarHBondContact O-N 3.22Å |
| 136 | S | 93.7 | Very high | 90.1 | Very high | 41 Ų | 41 | 77 Ų | 77 | 29% | 0.287 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -69.1 | -28.5 | 179.1 | -57.6 | 0 | 0 | 0 | 0 | 113.8 | R120 N132 A133 E134 G140 | R120-S136 PolarHBondContact NH2-OG 2.86Å; N132-S136 VanDerWaalsContact O-CB 3.32Å; N132-S136 WeakPolarHBondContact O-CB 3.4Å; N132-S136 PolarHBondContact O-N 3.02Å; N132-S136 PolarHBondContact O-OG 3Å; A133-S136 PolarHBondContact O-N 2.72Å; E134-S136 PolarHBondContact O-N 3.2Å; S136-G140 PolarHBondContact O-N 3.44Å |
| 137 | K | 92.7 | Very high | 90.5 | Very high | 118 Ų | 118 | 73.9 Ų | 73.9 | 51% | 0.513 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -67.7 | -47.4 | 170.1 | -65.3 | 176.6 | -157.4 | 165.5 | 0 | 111 | A133 E134 L135 G140 K141 | A133-K137 WeakPolarHBondContact O-CG 3.38Å; A133-K137 PolarHBondContact O-N 3.02Å; E134-K137 WeakPolarHBondContact O-CB 3.5Å; E134-K137 PolarHBondContact O-N 3.31Å; E134-K137 VanDerWaalsContact OE1-CE 3.28Å; E134-K137 WeakPolarHBondContact OE1-CE 3.47Å; E134-K137 IonicContact OE1-NZ 2.68Å; E134-K137 PolarHBondContact OE1-NZ 3.33Å; E134-K137 WeakPolarHBondContact OE2-CD 3.46Å; E134-K137 VanDerWaalsContact OE2-CE 3.3Å; E134-K137 WeakPolarHBondContact OE2-CE 3.29Å; E134-K137 IonicContact OE2-NZ 3.78Å; E134-K137 PolarHBondContact OE2-NZ 2.9Å; L135-K137 PolarHBondContact O-N 3.23Å; K137-G140 PolarHBondContact O-N 3.16Å; K137-K141 PolarHBondContact O-N 3.05Å; K137-K141 VanDerWaalsContact O-N 3.13Å |
| 138 | T | 89.7 | Confident | 91 | Very high | 67 Ų | 67 | 75.3 Ų | 75.3 | 41% | 0.411 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.2 | -46.6 | 179 | -60.2 | 0 | 0 | 0 | 0 | 111.1 | E134 L135 G140 K141 L142 | E134-T138 PolarHBondContact O-N 2.76Å; E134-T138 PolarHBondContact O-OG1 3.48Å; L135-T138 PolarHBondContact O-N 2.8Å; T138-G140 VanDerWaalsContact C-N 3.3Å; T138-G140 PolarHBondContact O-N 2.87Å; T138-K141 WeakPolarHBondContact O-CB 3.44Å; T138-K141 PolarHBondContact O-N 2.96Å; T138-L142 HydrophobicContact CG2-CD1 4.06Å; T138-L142 HydrophobicContact CG2-CG 4.46Å; T138-L142 WeakPolarHBondContact O-CG 3.4Å; T138-L142 PolarHBondContact O-N 3.37Å |
| 139 | L | 92.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.8 | -39.8 | 174.1 | -69.5 | 167.8 | 0 | 0 | 0 | 112.4 | W115 A116 A119 R120 L123 L135 K141 L142 W143 | W115-L139 HydrophobicContact CH2-CB 3.98Å; W115-L139 HydrophobicContact CH2-CD2 3.47Å; W115-L139 VanDerWaalsContact CH2-CD2 3.47Å; W115-L139 HydrophobicContact CH2-CG 4.35Å; W115-L139 VanDerWaalsContact CH2-O 3.29Å; W115-L139 WeakPolarHBondContact CH2-O 3.4Å; W115-L139 HydrophobicContact CZ2-CD2 4.16Å; W115-L139 HydrophobicContact CZ3-CB 3.85Å; W115-L139 HydrophobicContact CZ3-CD2 3.82Å; W115-L139 HydrophobicContact CZ3-CG 4.44Å; W115-L139 WeakPolarHBondContact CZ3-O 3.35Å; A116-L139 HydrophobicContact CB-CD1 4.39Å; A119-L139 HydrophobicContact CB-CD2 3.33Å; R120-L139 HydrophobicContact CB-CD1 3.64Å; R120-L139 HydrophobicContact CG-CD1 4.25Å; L123-L139 HydrophobicContact CD1-CD2 3.79Å; L123-L139 HydrophobicContact CD1-CG 4.08Å; L135-L139 WeakPolarHBondContact O-CB 3.48Å; L135-L139 WeakPolarHBondContact O-CD1 3.46Å; L135-L139 WeakPolarHBondContact O-CG 3.22Å; L135-L139 PolarHBondContact O-N 3.22Å; L139-K141 VanDerWaalsContact C-N 3.26Å; L139-K141 PolarHBondContact O-N 3.02Å; L139-L142 PolarHBondContact O-N 3.27Å; L139-W143 PolarHBondContact O-N 3.15Å |
| 140 | G | 94.6 | Very high | 91.4 | Very high | 24 Ų | 24 | 67.6 Ų | 67.6 | 25% | 0.247 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.7 | -23.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | S136 K137 T138 R144 | S136-G140 PolarHBondContact O-N 3.44Å; K137-G140 PolarHBondContact O-N 3.16Å; T138-G140 VanDerWaalsContact C-N 3.3Å; T138-G140 PolarHBondContact O-N 2.87Å; G140-R144 WeakPolarHBondContact O-CD 3.16Å; G140-R144 WeakPolarHBondContact O-CG 3.31Å |
| 141 | K | 91.2 | Very high | 91.5 | Very high | 145 Ų | 145 | 65.7 Ų | 65.7 | 63% | 0.63 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -78.9 | -52.8 | 169.3 | -65.7 | 177.3 | 179.8 | -178.8 | 0 | 110.7 | K137 T138 L139 W143 R144 L145 | K137-K141 PolarHBondContact O-N 3.05Å; K137-K141 VanDerWaalsContact O-N 3.13Å; T138-K141 WeakPolarHBondContact O-CB 3.44Å; T138-K141 PolarHBondContact O-N 2.96Å; L139-K141 VanDerWaalsContact C-N 3.26Å; L139-K141 PolarHBondContact O-N 3.02Å; K141-W143 PolarHBondContact O-N 2.88Å; K141-R144 WeakPolarHBondContact O-CB 3.46Å; K141-R144 PolarHBondContact O-N 3.5Å; K141-L145 PolarHBondContact O-N 2.91Å |
| 142 | L | 91.1 | Very high | 91.7 | Very high | 29 Ų | 29 | 65.9 Ų | 65.9 | 15% | 0.152 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -55 | -47 | -178 | -67.7 | 169.2 | 0 | 0 | 0 | 111.8 | I73 W115 T138 L139 R144 L145 L146 | I73-L142 HydrophobicContact CB-CD2 4.27Å; I73-L142 HydrophobicContact CD1-CD2 4.31Å; I73-L142 HydrophobicContact CG1-CD2 3.91Å; I73-L142 HydrophobicContact CG2-CD2 3.78Å; W115-L142 HydrophobicContact CH2-CB 3.82Å; W115-L142 HydrophobicContact CZ2-CB 4.06Å; T138-L142 HydrophobicContact CG2-CD1 4.06Å; T138-L142 HydrophobicContact CG2-CG 4.46Å; T138-L142 WeakPolarHBondContact O-CG 3.4Å; T138-L142 PolarHBondContact O-N 3.37Å; L139-L142 PolarHBondContact O-N 3.27Å; L142-R144 PolarHBondContact O-N 3Å; L142-R144 VanDerWaalsContact O-N 3.17Å; L142-L145 CarbonylContact O-C 3.58Å; L142-L145 WeakPolarHBondContact O-CA 3.38Å; L142-L145 PolarHBondContact O-N 2.86Å; L142-L146 PolarHBondContact O-N 3.21Å; L142-L146 VanDerWaalsContact O-N 3.17Å |
| 143 | W | 93.3 | Very high | 91.9 | Very high | 44 Ų | 44 | 64.4 Ų | 64.4 | 17% | 0.167 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -59.4 | -29 | 178.3 | 178.7 | -95.1 | 0 | 0 | 0 | 114.5 | A111 F112 W115 L139 K141 L145 L146 K151 F154 | A111-W143 HydrophobicContact CB-CH2 3.76Å; A111-W143 HydrophobicContact CB-CZ2 3.88Å; F112-W143 HydrophobicContact CB-CD2 4.25Å; F112-W143 HydrophobicContact CD2-CB 3.69Å; F112-W143 AromaticContact CD2-CD1 3.9Å; F112-W143 AromaticContact CD2-CD2 3.89Å; F112-W143 HydrophobicContact CD2-CD2 3.89Å; F112-W143 HydrophobicContact CD2-CE3 4.45Å; F112-W143 AromaticContact CD2-CG 3.52Å; F112-W143 HydrophobicContact CD2-CG 3.52Å; F112-W143 HydrophobicContact CE2-CB 3.9Å; F112-W143 HydrophobicContact CE2-CG 4.23Å; F112-W143 HydrophobicContact CG-CG 4.48Å; W115-W143 HydrophobicContact CB-CE3 3.88Å; W115-W143 HydrophobicContact CB-CZ3 3.53Å; W115-W143 AromaticContact CD2-CE3 3.57Å; W115-W143 HydrophobicContact CD2-CE3 3.57Å; W115-W143 HydrophobicContact CD2-CZ3 4.13Å; W115-W143 HydrophobicContact CE3-CB 4.14Å; W115-W143 HydrophobicContact CE3-CD2 4.31Å; W115-W143 AromaticContact CE3-CE3 3.61Å; W115-W143 HydrophobicContact CE3-CE3 3.61Å; W115-W143 HydrophobicContact CE3-CZ3 4.46Å; W115-W143 AromaticContact CG-CE3 3.68Å; W115-W143 HydrophobicContact CG-CE3 3.68Å; W115-W143 AromaticContact CG-CZ3 3.71Å; W115-W143 HydrophobicContact CG-CZ3 3.71Å; W115-W143 HydrophobicContact CH2-CB 4.15Å; W115-W143 HydrophobicContact CZ3-CB 3.77Å; W115-W143 HydrophobicContact CZ3-CE3 4.4Å; L139-W143 PolarHBondContact O-N 3.15Å; K141-W143 PolarHBondContact O-N 2.88Å; W143-L145 VanDerWaalsContact C-N 3.32Å; W143-L146 HydrophobicContact CD2-CD1 4.03Å; W143-L146 HydrophobicContact CE3-CD1 3.34Å; W143-L146 HydrophobicContact CZ3-CD1 3.76Å; W143-K151 HydrophobicContact CH2-CB 3.94Å; W143-K151 HydrophobicContact CH2-CG 3.77Å; W143-K151 HydrophobicContact CZ2-CB 4.27Å; W143-K151 HydrophobicContact CZ2-CD 4.45Å; W143-K151 HydrophobicContact CZ2-CG 3.87Å; W143-K151 HydrophobicContact CZ3-CG 4.15Å; W143-K151 WeakPolarHBondContact O-CE 3.44Å; W143-F154 HydrophobicContact CH2-CB 4.09Å; W143-F154 HydrophobicContact CZ3-CB 4.27Å; W143-F154 HydrophobicContact CZ3-CD2 4.17Å; W143-F154 HydrophobicContact CZ3-CG 4.4Å |
| 144 | R | 92.9 | Very high | 91.9 | Very high | 208 Ų | 208 | 62.2 Ų | 62.2 | 79% | 0.785 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -77.3 | -21.6 | 176.7 | -67 | 173.9 | 179.2 | -171.8 | -1.5 | 112.6 | G140 K141 L142 | G140-R144 WeakPolarHBondContact O-CD 3.16Å; G140-R144 WeakPolarHBondContact O-CG 3.31Å; K141-R144 WeakPolarHBondContact O-CB 3.46Å; K141-R144 PolarHBondContact O-N 3.5Å; L142-R144 PolarHBondContact O-N 3Å; L142-R144 VanDerWaalsContact O-N 3.17Å |
| 145 | L | 89.9 | Confident | 92 | Very high | 65 Ų | 65 | 61.4 Ų | 61.4 | 34% | 0.34 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -100.7 | 5 | -178.8 | -62.4 | 170.1 | 0 | 0 | 0 | 112.3 | F69 I73 K141 L142 W143 | F69-L145 HydrophobicContact CD1-CB 4.23Å; F69-L145 HydrophobicContact CD1-CD2 4.2Å; F69-L145 WeakPolarHBondContact CD1-O 3.49Å; F69-L145 HydrophobicContact CE1-CD2 4.21Å; I73-L145 HydrophobicContact CD1-CD1 3.57Å; I73-L145 HydrophobicContact CG2-CB 4.21Å; K141-L145 PolarHBondContact O-N 2.91Å; L142-L145 CarbonylContact O-C 3.58Å; L142-L145 WeakPolarHBondContact O-CA 3.38Å; L142-L145 PolarHBondContact O-N 2.86Å; W143-L145 VanDerWaalsContact C-N 3.32Å |
| 146 | L | 87.9 | Confident | 92.3 | Very high | 7 Ų | 7 | 67.1 Ų | 67.1 | 4% | 0.037 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -75.5 | 144 | 168.8 | -75.5 | 176.1 | 0 | 0 | 0 | 111.5 | V77 L142 W143 D150 K151 | V77-L146 HydrophobicContact CB-CD2 3.92Å; V77-L146 HydrophobicContact CG1-CD2 3.34Å; V77-L146 HydrophobicContact CG2-CD2 3.38Å; V77-L146 HydrophobicContact CG2-CG 4.44Å; L142-L146 PolarHBondContact O-N 3.21Å; L142-L146 VanDerWaalsContact O-N 3.17Å; W143-L146 HydrophobicContact CD2-CD1 4.03Å; W143-L146 HydrophobicContact CE3-CD1 3.34Å; W143-L146 HydrophobicContact CZ3-CD1 3.76Å; L146-D150 HydrophobicContact CD2-CB 4.04Å; L146-K151 HydrophobicContact CB-CD 4.35Å; L146-K151 HydrophobicContact CB-CG 3.92Å; L146-K151 HydrophobicContact CD1-CG 4.13Å; L146-K151 WeakPolarHBondContact O-CE 3.37Å; L146-K151 PolarHBondContact O-NZ 2.66Å |
| 147 | N | 93.8 | Very high | 92.3 | Very high | 48 Ų | 48 | 66.6 Ų | 66.6 | 26% | 0.257 | 32% | 0.318 | S | S | . | . | trans | -73.7 | 160.1 | 168.9 | -72 | -20.7 | 0 | 0 | 0 | 111.1 | S149 D150 K151 | N147-S149 VanDerWaalsContact C-N 3.25Å; N147-S149 VanDerWaalsContact CB-OG 3.29Å; N147-S149 WeakPolarHBondContact CB-OG 3.22Å; N147-S149 PolarHBondContact O-N 2.7Å; N147-D150 WeakPolarHBondContact CB-OD2 3.44Å; N147-D150 PolarHBondContact N-OD2 3.14Å; N147-D150 VanDerWaalsContact N-OD2 3.14Å; N147-D150 PolarHBondContact O-N 3.36Å; N147-D150 VanDerWaalsContact O-N 3.09Å; N147-K151 WeakPolarHBondContact O-CG 3.35Å; N147-K151 PolarHBondContact O-N 3.15Å; N147-K151 VanDerWaalsContact O-N 3.15Å | ||
| 148 | E | 91.6 | Very high | 92.4 | Very high | 104 Ų | 104 | 61.3 Ų | 61.3 | 49% | 0.486 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -73.8 | -18.8 | -179.3 | -150.7 | 60.5 | -147.8 | 0 | 0 | 112.8 | D150 K151 R152 I155 | E148-D150 VanDerWaalsContact C-N 3.34Å; E148-K151 WeakPolarHBondContact OE2-CD 3.38Å; E148-K151 IonicContact OE2-NZ 2.7Å; E148-K151 PolarHBondContact OE2-NZ 3.28Å; E148-R152 WeakPolarHBondContact O-CB 3.34Å; E148-R152 WeakPolarHBondContact O-CG 3.48Å; E148-R152 PolarHBondContact O-N 3.06Å; E148-R152 PolarHBondContact O-NE 3.08Å; E148-I155 VanDerWaalsContact OE1-CD1 3.26Å; E148-I155 WeakPolarHBondContact OE1-CD1 3.46Å |
| 149 | S | 90.4 | Very high | 92.8 | Very high | 56 Ų | 56 | 61.4 Ų | 61.4 | 39% | 0.392 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -56 | -46.6 | 161.6 | 43.2 | 0 | 0 | 0 | 0 | 112.1 | N147 P153 | N147-S149 VanDerWaalsContact C-N 3.25Å; N147-S149 VanDerWaalsContact CB-OG 3.29Å; N147-S149 WeakPolarHBondContact CB-OG 3.22Å; N147-S149 PolarHBondContact O-N 2.7Å; S149-P153 WeakPolarHBondContact O-CD 3.26Å |
| 150 | D | 89.8 | Confident | 93 | Very high | 41 Ų | 41 | 66.1 Ų | 66.1 | 22% | 0.219 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -83.2 | -28.3 | -168.3 | -37 | -21.8 | 0 | 0 | 0 | 110.6 | L146 N147 E148 F154 | L146-D150 HydrophobicContact CD2-CB 4.04Å; N147-D150 WeakPolarHBondContact CB-OD2 3.44Å; N147-D150 PolarHBondContact N-OD2 3.14Å; N147-D150 VanDerWaalsContact N-OD2 3.14Å; N147-D150 PolarHBondContact O-N 3.36Å; N147-D150 VanDerWaalsContact O-N 3.09Å; E148-D150 VanDerWaalsContact C-N 3.34Å; D150-F154 VanDerWaalsContact O-CD2 3.22Å; D150-F154 WeakPolarHBondContact O-CD2 3.46Å; D150-F154 WeakPolarHBondContact O-CE2 3.46Å |
| 151 | K | 92.4 | Very high | 93 | Very high | 30 Ų | 30 | 65.3 Ų | 65.3 | 13% | 0.13 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -75.1 | -34.1 | 173.1 | -66.4 | 158.2 | 179.4 | 147 | 0 | 112.8 | W143 L146 N147 E148 F154 I155 | W143-K151 HydrophobicContact CH2-CB 3.94Å; W143-K151 HydrophobicContact CH2-CG 3.77Å; W143-K151 HydrophobicContact CZ2-CB 4.27Å; W143-K151 HydrophobicContact CZ2-CD 4.45Å; W143-K151 HydrophobicContact CZ2-CG 3.87Å; W143-K151 HydrophobicContact CZ3-CG 4.15Å; W143-K151 WeakPolarHBondContact O-CE 3.44Å; L146-K151 HydrophobicContact CB-CD 4.35Å; L146-K151 HydrophobicContact CB-CG 3.92Å; L146-K151 HydrophobicContact CD1-CG 4.13Å; L146-K151 WeakPolarHBondContact O-CE 3.37Å; L146-K151 PolarHBondContact O-NZ 2.66Å; N147-K151 WeakPolarHBondContact O-CG 3.35Å; N147-K151 PolarHBondContact O-N 3.15Å; N147-K151 VanDerWaalsContact O-N 3.15Å; E148-K151 WeakPolarHBondContact OE2-CD 3.38Å; E148-K151 IonicContact OE2-NZ 2.7Å; E148-K151 PolarHBondContact OE2-NZ 3.28Å; K151-F154 WeakPolarHBondContact O-CA 3.04Å; K151-F154 WeakPolarHBondContact O-CB 3.47Å; K151-F154 PolarHBondContact O-N 3.22Å; K151-I155 HydrophobicContact CB-CD1 3.83Å; K151-I155 HydrophobicContact CB-CG1 4.41Å; K151-I155 WeakPolarHBondContact O-CG1 3.16Å; K151-I155 PolarHBondContact O-N 2.89Å |
| 152 | R | 94.5 | Very high | 93.2 | Very high | 142 Ų | 142 | 65.5 Ų | 65.5 | 54% | 0.536 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -43.4 | -55.4 | -177 | -106.4 | 179.9 | -85.9 | 170.6 | -9 | 114.4 | E148 F154 I155 E156 | E148-R152 WeakPolarHBondContact O-CB 3.34Å; E148-R152 WeakPolarHBondContact O-CG 3.48Å; E148-R152 PolarHBondContact O-N 3.06Å; E148-R152 PolarHBondContact O-NE 3.08Å; R152-F154 VanDerWaalsContact C-N 3.25Å; R152-F154 PolarHBondContact O-N 3.38Å; R152-I155 WeakPolarHBondContact O-CA 3.07Å; R152-I155 WeakPolarHBondContact O-CB 3.48Å; R152-I155 PolarHBondContact O-N 2.9Å; R152-E156 WeakPolarHBondContact O-CG 3.45Å; R152-E156 PolarHBondContact O-N 3.44Å |
| 153 | P | 93.6 | Very high | 93.5 | Very high | 51 Ų | 51 | 71.1 Ų | 71.1 | 33% | 0.331 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.5 | -33.4 | 179.5 | 22 | -34.1 | 0 | 0 | 0 | 113.4 | W86 S149 E157 | W86-P153 HydrophobicContact CH2-CB 4.44Å; S149-P153 WeakPolarHBondContact O-CD 3.26Å; P153-E157 VanDerWaalsContact O-CB 3.27Å; P153-E157 WeakPolarHBondContact O-CB 2.93Å; P153-E157 PolarHBondContact O-N 2.99Å |
| 154 | F | 92.8 | Very high | 93.5 | Very high | 2 Ų | 2 | 71.8 Ų | 71.8 | 1% | 0.009 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -77.3 | -28.2 | 175.7 | -56.5 | -73.4 | 0 | 0 | 0 | 113.2 | L81 W86 A111 V114 W115 W143 D150 K151 R152 A158 | L81-F154 HydrophobicContact CD2-CE2 3.79Å; L81-F154 HydrophobicContact CD2-CZ 3.5Å; L81-F154 HydrophobicContact CG-CZ 4.45Å; W86-F154 HydrophobicContact CH2-CD1 4.05Å; W86-F154 AromaticContact CH2-CE1 3.38Å; W86-F154 HydrophobicContact CH2-CE1 3.38Å; W86-F154 HydrophobicContact CH2-CE2 4.41Å; W86-F154 AromaticContact CH2-CZ 3.59Å; W86-F154 HydrophobicContact CH2-CZ 3.59Å; W86-F154 HydrophobicContact CZ2-CZ 4.47Å; W86-F154 AromaticContact CZ3-CD1 3.96Å; W86-F154 HydrophobicContact CZ3-CD1 3.96Å; W86-F154 AromaticContact CZ3-CE1 3.6Å; W86-F154 HydrophobicContact CZ3-CE1 3.6Å; W86-F154 HydrophobicContact CZ3-CZ 4.29Å; A111-F154 WeakPolarHBondContact CA-O 3.45Å; A111-F154 HydrophobicContact CB-CB 4.23Å; A111-F154 WeakPolarHBondContact CB-O 3.36Å; V114-F154 HydrophobicContact CB-CD1 4.43Å; V114-F154 HydrophobicContact CG1-CD1 4.03Å; W115-F154 HydrophobicContact CB-CB 4.39Å; W115-F154 HydrophobicContact CB-CD1 3.67Å; W115-F154 HydrophobicContact CB-CD2 4.03Å; W115-F154 HydrophobicContact CB-CE1 3.84Å; W115-F154 HydrophobicContact CB-CE2 4.2Å; W115-F154 HydrophobicContact CB-CG 3.76Å; W115-F154 HydrophobicContact CB-CZ 4.11Å; W115-F154 AromaticContact CD1-CE2 3.54Å; W115-F154 AromaticContact CD1-CZ 3.55Å; W115-F154 HydrophobicContact CG-CD2 4.41Å; W115-F154 HydrophobicContact CG-CE1 4.42Å; W115-F154 HydrophobicContact CG-CE2 4.23Å; W115-F154 HydrophobicContact CG-CZ 4.23Å; W143-F154 HydrophobicContact CH2-CB 4.09Å; W143-F154 HydrophobicContact CZ3-CB 4.27Å; W143-F154 HydrophobicContact CZ3-CD2 4.17Å; W143-F154 HydrophobicContact CZ3-CG 4.4Å; D150-F154 VanDerWaalsContact O-CD2 3.22Å; D150-F154 WeakPolarHBondContact O-CD2 3.46Å; D150-F154 WeakPolarHBondContact O-CE2 3.46Å; K151-F154 WeakPolarHBondContact O-CA 3.04Å; K151-F154 WeakPolarHBondContact O-CB 3.47Å; K151-F154 PolarHBondContact O-N 3.22Å; R152-F154 VanDerWaalsContact C-N 3.25Å; R152-F154 PolarHBondContact O-N 3.38Å; F154-A158 WeakPolarHBondContact O-CB 3.27Å; F154-A158 PolarHBondContact O-N 3.09Å |
| 155 | I | 95 | Very high | 93.7 | Very high | 63 Ų | 63 | 62.3 Ų | 62.3 | 32% | 0.323 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -71.2 | -46.5 | 173.5 | -66.4 | 166.3 | 0 | 0 | 0 | 109.8 | A111 E148 K151 R152 A158 E159 | A111-I155 HydrophobicContact CB-CB 4.4Å; A111-I155 HydrophobicContact CB-CG1 3.74Å; E148-I155 VanDerWaalsContact OE1-CD1 3.26Å; E148-I155 WeakPolarHBondContact OE1-CD1 3.46Å; K151-I155 HydrophobicContact CB-CD1 3.83Å; K151-I155 HydrophobicContact CB-CG1 4.41Å; K151-I155 WeakPolarHBondContact O-CG1 3.16Å; K151-I155 PolarHBondContact O-N 2.89Å; R152-I155 WeakPolarHBondContact O-CA 3.07Å; R152-I155 WeakPolarHBondContact O-CB 3.48Å; R152-I155 PolarHBondContact O-N 2.9Å; I155-A158 PolarHBondContact O-N 3.46Å; I155-E159 PolarHBondContact O-N 3.14Å |
| 156 | E | 95.7 | Very high | 94 | Very high | 125 Ų | 125 | 67 Ų | 67 | 58% | 0.584 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -61.3 | -47.1 | 176 | -71 | 164.7 | -143.4 | 0 | 0 | 111.3 | R152 A158 E159 R160 | R152-E156 WeakPolarHBondContact O-CG 3.45Å; R152-E156 PolarHBondContact O-N 3.44Å; E156-A158 PolarHBondContact O-N 2.85Å; E156-E159 PolarHBondContact O-N 3Å; E156-R160 WeakPolarHBondContact O-CB 2.98Å; E156-R160 PolarHBondContact O-N 3.09Å |
| 157 | E | 92.4 | Very high | 94.3 | Very high | 29 Ų | 29 | 74.6 Ų | 74.6 | 14% | 0.136 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.6 | -38.3 | 175.7 | 177.1 | 53.7 | -158.1 | 0 | 0 | 112.4 | V89 V114 P153 R160 L161 | V89-E157 HydrophobicContact CG1-CG 4.21Å; V89-E157 WeakPolarHBondContact CG1-OE1 3.33Å; V89-E157 HydrophobicContact CG2-CG 4.4Å; V114-E157 HydrophobicContact CG1-CG 3.99Å; P153-E157 VanDerWaalsContact O-CB 3.27Å; P153-E157 WeakPolarHBondContact O-CB 2.93Å; P153-E157 PolarHBondContact O-N 2.99Å; E157-R160 WeakPolarHBondContact O-CB 3.46Å; E157-R160 PolarHBondContact O-N 3.44Å; E157-R160 IonicContact OE1-CZ 3.48Å; E157-R160 IonicContact OE1-NE 3.54Å; E157-R160 PolarHBondContact OE1-NE 3.46Å; E157-R160 IonicContact OE1-NH2 2.7Å; E157-R160 PolarHBondContact OE1-NH2 3.44Å; E157-R160 IonicContact OE2-CZ 3.48Å; E157-R160 IonicContact OE2-NE 2.71Å; E157-R160 PolarHBondContact OE2-NE 3.49Å; E157-R160 IonicContact OE2-NH2 3.42Å; E157-R160 PolarHBondContact OE2-NH2 3.49Å; E157-L161 HydrophobicContact CG-CD1 4.32Å; E157-L161 WeakPolarHBondContact O-CB 3.39Å; E157-L161 VanDerWaalsContact O-CG 3.31Å; E157-L161 WeakPolarHBondContact O-CG 3.17Å; E157-L161 PolarHBondContact O-N 2.74Å; E157-L161 WeakPolarHBondContact OE1-CG 3.2Å |
| 158 | A | 95.2 | Very high | 94.3 | Very high | 8 Ų | 8 | 75.5 Ų | 75.5 | 7% | 0.066 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.6 | -38.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A111 V114 F154 I155 E156 L161 R162 | A111-A158 HydrophobicContact CB-CB 4.16Å; A111-A158 VanDerWaalsContact N-CB 3.25Å; V114-A158 HydrophobicContact CG2-CB 4.4Å; F154-A158 WeakPolarHBondContact O-CB 3.27Å; F154-A158 PolarHBondContact O-N 3.09Å; I155-A158 PolarHBondContact O-N 3.46Å; E156-A158 PolarHBondContact O-N 2.85Å; A158-L161 PolarHBondContact O-N 3.07Å; A158-R162 VanDerWaalsContact O-CB 3.27Å; A158-R162 WeakPolarHBondContact O-CB 3.41Å; A158-R162 PolarHBondContact O-N 2.99Å |
| 159 | E | 97.2 | Very high | 94.4 | Very high | 69 Ų | 69 | 74 Ų | 74 | 32% | 0.322 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -70.6 | -33.9 | 172.3 | -80.8 | -60.2 | 131.1 | 0 | 0 | 112.2 | I155 E156 R162 K163 | I155-E159 PolarHBondContact O-N 3.14Å; E156-E159 PolarHBondContact O-N 3Å; E159-R162 PolarHBondContact O-N 3.13Å; E159-R162 WeakPolarHBondContact OE1-CD 3.34Å; E159-R162 IonicContact OE1-CZ 2.66Å; E159-R162 IonicContact OE1-NE 2.66Å; E159-R162 IonicContact OE1-NH1 2.93Å; E159-R162 PolarHBondContact OE1-NH1 2.94Å; E159-R162 WeakPolarHBondContact OE2-CD 3.29Å; E159-R162 IonicContact OE2-NH1 3.99Å; E159-R162 PolarHBondContact OE2-NH1 3.25Å; E159-K163 WeakPolarHBondContact O-CB 3.35Å; E159-K163 WeakPolarHBondContact O-CG 3.49Å; E159-K163 PolarHBondContact O-N 3.2Å |
| 160 | R | 96.9 | Very high | 94.6 | Very high | 98 Ų | 98 | 76 Ų | 76 | 37% | 0.37 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.6 | -50.2 | 169.9 | -167.7 | -167.1 | 70.4 | 96.7 | -1.3 | 110.7 | M91 E156 E157 R162 K163 Q164 | M91-R160 PolarHBondContact SD-NH1 3.37Å; E156-R160 WeakPolarHBondContact O-CB 2.98Å; E156-R160 PolarHBondContact O-N 3.09Å; E157-R160 WeakPolarHBondContact O-CB 3.46Å; E157-R160 PolarHBondContact O-N 3.44Å; E157-R160 IonicContact OE1-CZ 3.48Å; E157-R160 IonicContact OE1-NE 3.54Å; E157-R160 PolarHBondContact OE1-NE 3.46Å; E157-R160 IonicContact OE1-NH2 2.7Å; E157-R160 PolarHBondContact OE1-NH2 3.44Å; E157-R160 IonicContact OE2-CZ 3.48Å; E157-R160 IonicContact OE2-NE 2.71Å; E157-R160 PolarHBondContact OE2-NE 3.49Å; E157-R160 IonicContact OE2-NH2 3.42Å; E157-R160 PolarHBondContact OE2-NH2 3.49Å; R160-R162 VanDerWaalsContact C-N 3.3Å; R160-R162 PolarHBondContact O-N 3.08Å; R160-K163 PolarHBondContact O-N 3.23Å; R160-Q164 VanDerWaalsContact O-CB 3.25Å; R160-Q164 WeakPolarHBondContact O-CB 3.17Å; R160-Q164 PolarHBondContact O-N 3.12Å |
| 161 | L | 94.8 | Very high | 94.8 | Very high | 8 Ų | 8 | 81.4 Ų | 81.4 | 4% | 0.042 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.2 | -37.8 | 175.3 | -71.5 | 171.2 | 0 | 0 | 0 | 112.1 | V89 M91 M109 V114 E157 A158 H165 | V89-L161 HydrophobicContact CG1-CD1 3.98Å; M91-L161 HydrophobicContact CG-CD2 4.4Å; M109-L161 HydrophobicContact CB-CD1 4.3Å; M109-L161 HydrophobicContact CE-CD1 4.14Å; V114-L161 HydrophobicContact CG2-CD1 3.87Å; E157-L161 HydrophobicContact CG-CD1 4.32Å; E157-L161 WeakPolarHBondContact O-CB 3.39Å; E157-L161 VanDerWaalsContact O-CG 3.31Å; E157-L161 WeakPolarHBondContact O-CG 3.17Å; E157-L161 PolarHBondContact O-N 2.74Å; E157-L161 WeakPolarHBondContact OE1-CG 3.2Å; A158-L161 PolarHBondContact O-N 3.07Å; L161-H165 WeakPolarHBondContact O-CB 3.18Å; L161-H165 PolarHBondContact O-N 2.8Å |
| 162 | R | 95.9 | Very high | 94.9 | Very high | 148 Ų | 148 | 83.1 Ų | 83.1 | 56% | 0.558 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -68 | -46.1 | 176.5 | -174.8 | -171.4 | 178.9 | -167.5 | -4.2 | 112.3 | A158 E159 R160 H165 K166 | A158-R162 VanDerWaalsContact O-CB 3.27Å; A158-R162 WeakPolarHBondContact O-CB 3.41Å; A158-R162 PolarHBondContact O-N 2.99Å; E159-R162 PolarHBondContact O-N 3.13Å; E159-R162 WeakPolarHBondContact OE1-CD 3.34Å; E159-R162 IonicContact OE1-CZ 2.66Å; E159-R162 IonicContact OE1-NE 2.66Å; E159-R162 IonicContact OE1-NH1 2.93Å; E159-R162 PolarHBondContact OE1-NH1 2.94Å; E159-R162 WeakPolarHBondContact OE2-CD 3.29Å; E159-R162 IonicContact OE2-NH1 3.99Å; E159-R162 PolarHBondContact OE2-NH1 3.25Å; R160-R162 VanDerWaalsContact C-N 3.3Å; R160-R162 PolarHBondContact O-N 3.08Å; R162-H165 PolarHBondContact O-N 3.02Å; R162-K166 PolarHBondContact O-N 3.06Å |
| 163 | K | 96.5 | Very high | 94.9 | Very high | 148 Ų | 148 | 84.3 Ų | 84.3 | 64% | 0.643 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -61.6 | -48.2 | 175.7 | -73.1 | 168.7 | -177 | 178.6 | 0 | 110.7 | E159 R160 H165 K166 K167 | E159-K163 WeakPolarHBondContact O-CB 3.35Å; E159-K163 WeakPolarHBondContact O-CG 3.49Å; E159-K163 PolarHBondContact O-N 3.2Å; R160-K163 PolarHBondContact O-N 3.23Å; K163-H165 PolarHBondContact O-N 3.23Å; K163-K166 PolarHBondContact O-N 3.1Å; K163-K167 PolarHBondContact O-N 2.86Å |
| 164 | Q | 94.5 | Very high | 94.9 | Very high | 57 Ų | 57 | 87.3 Ų | 87.3 | 27% | 0.266 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -58.5 | -47.8 | 175.3 | -177.1 | 62.8 | 35.8 | 0 | 0 | 111.4 | M91 R160 K166 K167 D168 | M91-Q164 HydrophobicContact CE-CG 3.78Å; R160-Q164 VanDerWaalsContact O-CB 3.25Å; R160-Q164 WeakPolarHBondContact O-CB 3.17Å; R160-Q164 PolarHBondContact O-N 3.12Å; Q164-K166 VanDerWaalsContact C-N 3.3Å; Q164-K166 PolarHBondContact O-N 2.98Å; Q164-K167 WeakPolarHBondContact O-CA 3.31Å; Q164-K167 WeakPolarHBondContact O-CB 3.49Å; Q164-K167 PolarHBondContact O-N 3.49Å; Q164-D168 WeakPolarHBondContact CG-OD2 3.35Å; Q164-D168 PolarHBondContact NE2-OD1 2.86Å; Q164-D168 PolarHBondContact NE2-OD2 3.34Å; Q164-D168 PolarHBondContact O-N 3.07Å |
| 165 | H | 96.2 | Very high | 94.8 | Very high | 10 Ų | 10 | 94.7 Ų | 94.7 | 5% | 0.046 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -61.3 | -36.6 | 178.5 | -169.1 | 86.9 | 0 | 0 | 0 | 113.2 | V105 K106 P108 L161 R162 K163 K167 Y169 Y172 | V105-H165 WeakPolarHBondContact CG1-CE1 3.27Å; K106-H165 PolarHBondContact O-CE1 3.12Å; P108-H165 HydrophobicContact CB-CB 3.99Å; P108-H165 HydrophobicContact CG-CB 4.15Å; L161-H165 WeakPolarHBondContact O-CB 3.18Å; L161-H165 PolarHBondContact O-N 2.8Å; R162-H165 PolarHBondContact O-N 3.02Å; K163-H165 PolarHBondContact O-N 3.23Å; H165-K167 VanDerWaalsContact C-N 3.32Å; H165-Y169 AromaticContact CE1-CD2 3.55Å; H165-Y169 AromaticContact CE1-CE2 3.98Å; H165-Y169 AromaticContact ND1-CD2 3.64Å; H165-Y169 AromaticContact ND1-CE2 3.98Å; H165-Y169 WeakPolarHBondContact O-CB 3.45Å; H165-Y169 PolarHBondContact O-N 3.17Å; H165-Y172 AromaticContact NE2-CD1 3.61Å; H165-Y172 AromaticContact NE2-CD2 3.72Å; H165-Y172 AromaticContact NE2-CE1 3.9Å; H165-Y172 AromaticContact NE2-CG 3.5Å |
| 166 | K | 95.8 | Very high | 94.7 | Very high | 164 Ų | 164 | 95.8 Ų | 95.8 | 71% | 0.713 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -67.5 | -31.8 | 173.5 | -170.3 | -173.4 | 175.6 | -168 | 0 | 112.2 | R162 K163 Q164 P170 | R162-K166 PolarHBondContact O-N 3.06Å; K163-K166 PolarHBondContact O-N 3.1Å; Q164-K166 VanDerWaalsContact C-N 3.3Å; Q164-K166 PolarHBondContact O-N 2.98Å; K166-P170 WeakPolarHBondContact O-CA 3.28Å |
| 167 | K | 95.8 | Very high | 94.3 | Very high | 166 Ų | 166 | 100.5 Ų | 100.5 | 72% | 0.722 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -73.8 | -43.7 | 175.2 | -175.2 | 178.9 | 179 | 178.2 | 0 | 112.1 | K163 Q164 H165 | K163-K167 PolarHBondContact O-N 2.86Å; Q164-K167 WeakPolarHBondContact O-CA 3.31Å; Q164-K167 WeakPolarHBondContact O-CB 3.49Å; Q164-K167 PolarHBondContact O-N 3.49Å; H165-K167 VanDerWaalsContact C-N 3.32Å |
| 168 | D | 93.6 | Very high | 94 | Very high | 66 Ų | 66 | 110.2 Ų | 110.2 | 35% | 0.353 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -74.7 | -28.2 | -179.2 | -66 | -28.4 | 0 | 0 | 0 | 113 | Q164 | Q164-D168 WeakPolarHBondContact CG-OD2 3.35Å; Q164-D168 PolarHBondContact NE2-OD1 2.86Å; Q164-D168 PolarHBondContact NE2-OD2 3.34Å; Q164-D168 PolarHBondContact O-N 3.07Å |
| 169 | Y | 93.9 | Very high | 93.4 | Very high | 73 Ų | 73 | 120.2 Ų | 120.2 | 29% | 0.286 | 53% | 0.527 | S | S | . | . | trans | -136.6 | 72 | -177.4 | -53.2 | -74.7 | 0 | 0 | 0 | 111 | V105 H165 D171 Y172 | V105-Y169 HydrophobicContact CG1-CD1 4.03Å; V105-Y169 HydrophobicContact CG1-CD2 3.72Å; V105-Y169 HydrophobicContact CG1-CE1 4.21Å; V105-Y169 HydrophobicContact CG1-CE2 3.91Å; V105-Y169 HydrophobicContact CG1-CG 3.78Å; V105-Y169 HydrophobicContact CG2-CD1 3.72Å; V105-Y169 HydrophobicContact CG2-CE1 3.66Å; V105-Y169 HydrophobicContact CG2-CG 4.31Å; H165-Y169 AromaticContact CE1-CD2 3.55Å; H165-Y169 AromaticContact CE1-CE2 3.98Å; H165-Y169 AromaticContact ND1-CD2 3.64Å; H165-Y169 AromaticContact ND1-CE2 3.98Å; H165-Y169 WeakPolarHBondContact O-CB 3.45Å; H165-Y169 PolarHBondContact O-N 3.17Å; Y169-D171 VanDerWaalsContact C-N 3.28Å; Y169-D171 PolarHBondContact O-N 3.17Å; Y169-Y172 WeakPolarHBondContact O-CB 3.41Å; Y169-Y172 PolarHBondContact O-N 2.95Å | ||
| 170 | P | 94.4 | Very high | 92.4 | Very high | 99 Ų | 99 | 126.8 Ų | 126.8 | 64% | 0.643 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | -37.1 | -178.4 | 23.4 | -33.8 | 0 | 0 | 0 | 112.6 | K166 Y172 | K166-P170 WeakPolarHBondContact O-CA 3.28Å; P170-Y172 PolarHBondContact O-N 2.78Å |
| 171 | D | 93.4 | Very high | 90.6 | Very high | 154 Ų | 154 | 129.2 Ų | 129.2 | 82% | 0.824 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | 11 | 176.5 | -57.1 | -66.8 | 0 | 0 | 0 | 114.1 | Y169 K173 | Y169-D171 VanDerWaalsContact C-N 3.28Å; Y169-D171 PolarHBondContact O-N 3.17Å; D171-K173 PolarHBondContact O-N 3.25Å |
| 172 | Y | 95.3 | Very high | 88.8 | Confident | 66 Ų | 66 | 132.1 Ų | 132.1 | 26% | 0.259 | 61% | 0.607 | S | S | . | * | trans | -67.4 | 99.1 | -177 | -175.2 | -102.6 | 0 | 0 | 0 | 112.7 | V105 R107 H165 Y169 P170 | V105-Y172 HydrophobicContact CB-CD2 3.88Å; V105-Y172 HydrophobicContact CB-CE2 3.84Å; V105-Y172 HydrophobicContact CG1-CD2 3.48Å; V105-Y172 VanDerWaalsContact CG1-CD2 3.48Å; V105-Y172 HydrophobicContact CG1-CE2 3.62Å; V105-Y172 HydrophobicContact CG1-CG 4.43Å; V105-Y172 WeakPolarHBondContact O-CE2 3.46Å; R107-Y172 WeakPolarHBondContact CG-OH 3.13Å; H165-Y172 AromaticContact NE2-CD1 3.61Å; H165-Y172 AromaticContact NE2-CD2 3.72Å; H165-Y172 AromaticContact NE2-CE1 3.9Å; H165-Y172 AromaticContact NE2-CG 3.5Å; Y169-Y172 WeakPolarHBondContact O-CB 3.41Å; Y169-Y172 PolarHBondContact O-N 2.95Å; P170-Y172 PolarHBondContact O-N 2.78Å | ||
| 173 | K | 93.5 | Very high | 86.9 | Confident | 167 Ų | 167 | 134.5 Ų | 134.5 | 73% | 0.726 | 62% | 0.621 | S | S | * | * | trans | -97.6 | 118.2 | 171.5 | -166 | 164.4 | -172.4 | 168.1 | 0 | 111.1 | D171 Q175 | D171-K173 PolarHBondContact O-N 3.25Å; K173-Q175 PolarHBondContact O-N 2.74Å | ||
| 174 | Y | 94.6 | Very high | 84.8 | Confident | 113 Ų | 113 | 135.8 Ų | 135.8 | 44% | 0.443 | 63% | 0.634 | S | S | . | * | trans | -63.7 | 120.3 | 172.5 | 170.7 | -137.3 | 0 | 0 | 0 | 110.9 | R107 P176 | R107-Y174 VanDerWaalsContact CZ-CZ 3.49Å; R107-Y174 VanDerWaalsContact NH1-CZ 3.31Å; R107-Y174 PolarHBondContact NH1-OH 2.78Å; R107-Y174 PolarHBondContact NH2-OH 2.93Å; R107-Y174 VanDerWaalsContact NH2-OH 3.08Å; Y174-P176 HydrophobicContact CD1-CG 4.49Å; Y174-P176 HydrophobicContact CE1-CG 3.85Å; Y174-P176 HydrophobicContact CE2-CB 4.45Å; Y174-P176 HydrophobicContact CE2-CG 4.19Å | ||
| 175 | Q | 91.4 | Very high | 82.7 | Confident | 157 Ų | 157 | 136.2 Ų | 136.2 | 73% | 0.734 | 65% | 0.654 | S | S | * | * | trans | -114.6 | 107.9 | 175.9 | -63.9 | -179.3 | 16.9 | 0 | 0 | 110.3 | K173 R177 | K173-Q175 PolarHBondContact O-N 2.74Å; Q175-R177 PolarHBondContact O-N 3.38Å | ||
| 176 | P | 91 | Very high | 80.3 | Confident | 87 Ų | 87 | 142.2 Ų | 142.2 | 57% | 0.565 | 70% | 0.697 | S | S | * | * | trans | -66.1 | 113.3 | 174.2 | -16.9 | 28.4 | 0 | 0 | 0 | 111.3 | Y174 R178 | Y174-P176 HydrophobicContact CD1-CG 4.49Å; Y174-P176 HydrophobicContact CE1-CG 3.85Å; Y174-P176 HydrophobicContact CE2-CB 4.45Å; Y174-P176 HydrophobicContact CE2-CG 4.19Å; P176-R178 PolarHBondContact O-N 3.34Å | ||
| 177 | R | 87.9 | Confident | 77.8 | Confident | 224 Ų | 224 | 138 Ų | 138 | 85% | 0.845 | 70% | 0.699 | S | S | * | * | trans | -71.1 | 97.3 | 176.1 | -172.8 | 178.1 | -172.6 | -95.4 | 4.5 | 110.6 | Q175 R179 | Q175-R177 PolarHBondContact O-N 3.38Å; R177-R179 PolarHBondContact O-N 3.21Å | ||
| 178 | R | 85.6 | Confident | 75.1 | Confident | 233 Ų | 233 | 136 Ų | 136 | 88% | 0.879 | 71% | 0.706 | S | S | * | * | trans | -52.5 | 124.9 | 166.3 | -69.3 | -178.3 | 71.7 | -177.8 | 3.2 | 108.9 | P176 K180 | P176-R178 PolarHBondContact O-N 3.34Å; R178-K180 PolarHBondContact O-N 3.46Å | ||
| 179 | R | 83.1 | Confident | 72.4 | Confident | 218 Ų | 218 | 135.5 Ų | 135.5 | 82% | 0.823 | 72% | 0.718 | S | S | * | * | trans | -69.1 | 125.5 | 166.6 | -75.3 | -174.7 | 165.6 | -147.9 | -4.5 | 107.5 | R177 N181 | R177-R179 PolarHBondContact O-N 3.21Å; R179-N181 PolarHBondContact O-N 3.49Å; R179-N181 PolarHBondContact O-OD1 3.08Å | ||
| 180 | K | 77.3 | Confident | 69.8 | Low | 207 Ų | 207 | 138 Ų | 138 | 90% | 0.9 | 75% | 0.745 | S | S | * | * | trans | -73.4 | 110.1 | 166 | -174.8 | 178.3 | -178.3 | -177.8 | 0 | 106.5 | R178 G182 | R178-K180 PolarHBondContact O-N 3.46Å; K180-G182 PolarHBondContact O-N 2.95Å; K180-G182 VanDerWaalsContact O-N 3.13Å | ||
| 181 | N | 58.9 | Low | 67.3 | Low | 148 Ų | 148 | 141.9 Ų | 141.9 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | trans | -59 | 117.2 | 174.2 | -65.7 | 66.4 | 0 | 0 | 0 | 108.4 | R179 K183 | R179-N181 PolarHBondContact O-N 3.49Å; R179-N181 PolarHBondContact O-OD1 3.08Å; N181-K183 PolarHBondContact O-N 3.39Å | ||
| 182 | G | 56.3 | Low | 64.8 | Low | 70 Ų | 70 | 139.4 Ų | 139.4 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | trans | -71.6 | 90.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110 | K180 L184 | K180-G182 PolarHBondContact O-N 2.95Å; K180-G182 VanDerWaalsContact O-N 3.13Å; G182-L184 PolarHBondContact O-N 2.94Å | ||
| 183 | K | 55.1 | Low | 61.9 | Low | 198 Ų | 198 | 144.1 Ų | 144.1 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | trans | -62.4 | 105.2 | 157.9 | -177.9 | 77.2 | 172.7 | -176.3 | 0 | 105.8 | N181 G185 | N181-K183 PolarHBondContact O-N 3.39Å; K183-G185 PolarHBondContact O-N 2.96Å; K183-G185 VanDerWaalsContact O-N 3.14Å | ||
| 184 | L | 53.4 | Low | 59.3 | Low | 175 Ų | 175 | 139.7 Ų | 139.7 | 92% | 0.916 | 79% | 0.787 | S | S | * | * | trans | -59.4 | 116.5 | 170.4 | -66.3 | 171 | 0 | 0 | 0 | 107 | G182 | G182-L184 PolarHBondContact O-N 2.94Š| ||
| 185 | G | 49.7 | Very low | 56.5 | Low | 66 Ų | 66 | 141.2 Ų | 141.2 | 68% | 0.68 | 80% | 0.798 | S | S | * | * | trans | -122.1 | 130.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 109 | K183 | K183-G185 PolarHBondContact O-N 2.96Å; K183-G185 VanDerWaalsContact O-N 3.14Å | ||
| 186 | S | 46.7 | Very low | 54 | Low | 135 Ų | 135 | 140.8 Ų | 140.8 | 94% | 0.944 | 80% | 0.8 | S | S | * | * | trans | -63.3 | 148 | -179.4 | -171.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 187 | G | 42.2 | Very low | 51.2 | Low | 75 Ų | 75 | 144.5 Ų | 144.5 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | trans | -169.4 | 74.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 188 | S | 39.6 | Very low | 48.7 | Very low | 124 Ų | 124 | 137.1 Ų | 137.1 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | trans | -37 | 153.4 | -178.7 | -165.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 189 | G | 37.9 | Very low | 46.2 | Very low | 57 Ų | 57 | 135.3 Ų | 135.3 | 59% | 0.588 | 81% | 0.805 | S | S | * | * | trans | 132.3 | 73 | 139.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 190 | S | 39.3 | Very low | 43.9 | Very low | 124 Ų | 124 | 130.1 Ų | 130.1 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | trans | -178.3 | 101.9 | 146.4 | -80.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 191 | E | 40.3 | Very low | 41.8 | Very low | 181 Ų | 181 | 125.7 Ų | 125.7 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | -80.8 | 130.6 | 171.7 | 47.5 | -95.8 | 55.7 | 0 | 0 | 113.5 | ||||
| 192 | A | 41.6 | Very low | 40.9 | Very low | 103 Ų | 103 | 127.4 Ų | 127.4 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | trans | -154.1 | 137.7 | 160 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 193 | D | 35 | Very low | 40 | Very low | 164 Ų | 164 | 129.3 Ų | 129.3 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | trans | -70.3 | 159.3 | -162.1 | -143.4 | -36.5 | 0 | 0 | 0 | 115.6 | ||||
| 194 | G | 37.7 | Very low | 39 | Very low | 74 Ų | 74 | 127.4 Ų | 127.4 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | trans | 167.2 | 59 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 195 | H | 36.8 | Very low | 38.2 | Very low | 145 Ų | 145 | 124.1 Ų | 124.1 | 67% | 0.671 | 78% | 0.783 | S | S | * | * | trans | -77.6 | 126.2 | -173.6 | 176.7 | -87.7 | 0 | 0 | 0 | 115.5 | ||||
| 196 | L | 39.3 | Very low | 37.3 | Very low | 148 Ų | 148 | 129.2 Ų | 129.2 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | trans | -179.1 | 108.7 | 131.8 | -100.4 | 169.7 | 0 | 0 | 0 | 114 | ||||
| 197 | E | 32.4 | Very low | 37 | Very low | 166 Ų | 166 | 133.2 Ų | 133.2 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | 29 | 120.6 | 142.2 | -60.6 | -60.8 | 89.6 | 0 | 0 | 122.1 | ||||
| 198 | G | 35.1 | Very low | 36.6 | Very low | 68 Ų | 68 | 139.6 Ų | 139.6 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | trans | 173.8 | 101.1 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 199 | E | 31.8 | Very low | 36.4 | Very low | 195 Ų | 195 | 136.9 Ų | 136.9 | 91% | 0.911 | 78% | 0.784 | S | S | * | * | trans | -69.7 | 159.7 | -162.7 | -140.8 | -149.1 | 149.5 | 0 | 0 | 115.7 | ||||
| 200 | V | 36.4 | Very low | 36.3 | Very low | 110 Ų | 110 | 141.9 Ų | 141.9 | 67% | 0.667 | 80% | 0.796 | S | S | * | * | trans | -124.7 | 136.7 | -168.7 | 175.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 201 | S | 33.1 | Very low | 36 | Very low | 114 Ų | 114 | 143.7 Ų | 143.7 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | trans | -149.2 | 99.6 | 152.5 | -95 | 0 | 0 | 0 | 0 | 113 | ||||
| 202 | H | 39.5 | Very low | 35.5 | Very low | 183 Ų | 183 | 142.3 Ų | 142.3 | 85% | 0.847 | 79% | 0.788 | S | S | * | * | trans | -104.1 | 78.1 | 168.1 | -170.9 | 83.9 | 0 | 0 | 0 | 109.3 | Q204 | H202-Q204 PolarHBondContact O-N 2.89Š| ||
| 203 | S | 37.6 | Very low | 34.9 | Very low | 111 Ų | 111 | 143.3 Ų | 143.3 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | -77 | 119.8 | -174.6 | 44.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 204 | Q | 33.7 | Very low | 34.8 | Very low | 158 Ų | 158 | 141.2 Ų | 141.2 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | trans | -45.8 | 149.3 | 177.1 | 179.1 | 170.1 | 103.2 | 0 | 0 | 115.4 | H202 H206 | H202-Q204 PolarHBondContact O-N 2.89Å; Q204-H206 PolarHBondContact O-CD2 2.89Å; Q204-H206 PolarHBondContact O-N 3.2Å | ||
| 205 | S | 35.7 | Very low | 34.6 | Very low | 105 Ų | 105 | 141.9 Ų | 141.9 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | trans | -58.6 | 125 | 175.7 | -49.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 206 | H | 32.3 | Very low | 34.5 | Very low | 174 Ų | 174 | 143.8 Ų | 143.8 | 81% | 0.806 | 77% | 0.766 | S | S | * | * | trans | -106.9 | 125.1 | 165.6 | -78.4 | -96.2 | 0 | 0 | 0 | 110.9 | Q204 | Q204-H206 PolarHBondContact O-CD2 2.89Å; Q204-H206 PolarHBondContact O-N 3.2Å | ||
| 207 | Y | 39.1 | Very low | 34.1 | Very low | 218 Ų | 218 | 142.3 Ų | 142.3 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | trans | -97.3 | 109.4 | 167.2 | -75.8 | -89.1 | 0 | 0 | 0 | 109.8 | ||||
| 208 | K | 35.3 | Very low | 33.9 | Very low | 209 Ų | 209 | 138.5 Ų | 138.5 | 91% | 0.909 | 77% | 0.773 | S | S | * | * | trans | -177.8 | 139.5 | 157.3 | -97.5 | 155.4 | -175.7 | -173.1 | 0 | 105.8 | ||||
| 209 | G | 35.3 | Very low | 33.7 | Very low | 68 Ų | 68 | 138.7 Ų | 138.7 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | cis | 108 | 67.3 | 7.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 210 | L | 35.1 | Very low | 33.8 | Very low | 161 Ų | 161 | 134.4 Ų | 134.4 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | trans | 178.5 | 120 | 162 | -91.7 | 165.6 | 0 | 0 | 0 | 103 | ||||
| 211 | H | 32.7 | Very low | 33.5 | Very low | 163 Ų | 163 | 138.3 Ų | 138.3 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | 54.8 | 82.9 | 77 | -162.8 | -76.2 | 0 | 0 | 0 | 112.1 | E213 | H211-E213 PolarHBondContact O-N 3.08Š| |||
| 212 | L | 30.2 | Very low | 33.9 | Very low | 152 Ų | 152 | 138.2 Ų | 138.2 | 80% | 0.796 | 78% | 0.784 | S | S | * | * | trans | -76.7 | 108.1 | 175.6 | -176.9 | 65.5 | 0 | 0 | 0 | 109.6 | V214 | L212-V214 HydrophobicContact CD2-CG2 4.01Å; L212-V214 HydrophobicContact CG-CG2 3.88Å | ||
| 213 | E | 29 | Very low | 34.4 | Very low | 123 Ų | 123 | 135 Ų | 135 | 58% | 0.575 | 78% | 0.779 | S | S | * | * | trans | -75.1 | 138.5 | 161.7 | -150.8 | -81.7 | 170.8 | 0 | 0 | 108 | H211 T215 | H211-E213 PolarHBondContact O-N 3.08Å; E213-T215 WeakPolarHBondContact OE1-CG2 3.44Å; E213-T215 WeakPolarHBondContact OE2-CB 3.35Å; E213-T215 WeakPolarHBondContact OE2-CG2 3.4Å; E213-T215 PolarHBondContact OE2-N 3.33Å; E213-T215 PolarHBondContact OE2-OG1 2.98Å | ||
| 214 | V | 31.8 | Very low | 34.1 | Very low | 120 Ų | 120 | 137.7 Ų | 137.7 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -126.7 | 102.9 | 178.7 | -179.5 | 0 | 0 | 0 | 0 | 108.7 | L212 | L212-V214 HydrophobicContact CD2-CG2 4.01Å; L212-V214 HydrophobicContact CG-CG2 3.88Å | ||
| 215 | T | 34.8 | Very low | 34 | Very low | 88 Ų | 88 | 134.3 Ų | 134.3 | 54% | 0.54 | 78% | 0.783 | S | S | . | * | trans | -105.7 | -177.4 | 174.4 | 19 | 0 | 0 | 0 | 0 | 111.3 | E213 | E213-T215 WeakPolarHBondContact OE1-CG2 3.44Å; E213-T215 WeakPolarHBondContact OE2-CB 3.35Å; E213-T215 WeakPolarHBondContact OE2-CG2 3.4Å; E213-T215 PolarHBondContact OE2-N 3.33Å; E213-T215 PolarHBondContact OE2-OG1 2.98Å | ||
| 216 | H | 33.5 | Very low | 33.7 | Very low | 186 Ų | 186 | 137.6 Ų | 137.6 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | trans | 91.2 | 132.9 | -171.4 | -48.7 | -42.3 | 0 | 0 | 0 | 114.2 | ||||
| 217 | S | 31.7 | Very low | 33.7 | Very low | 117 Ų | 117 | 133.1 Ų | 133.1 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | cis | -167.7 | 148.7 | -3.6 | 47.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 218 | G | 28.9 | Very low | 33.4 | Very low | 85 Ų | 85 | 130.7 Ų | 130.7 | 88% | 0.876 | 79% | 0.79 | S | S | * | * | trans | 94.1 | 146.5 | 159 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 219 | G | 30.1 | Very low | 33.4 | Very low | 73 Ų | 73 | 128.2 Ų | 128.2 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | cis | 173.8 | 163.1 | -6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 220 | A | 34.5 | Very low | 34.3 | Very low | 105 Ų | 105 | 129.4 Ų | 129.4 | 87% | 0.868 | 78% | 0.776 | S | S | * | * | trans | 65.8 | 151.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 221 | E | 30.1 | Very low | 34.3 | Very low | 192 Ų | 192 | 130.6 Ų | 130.6 | 90% | 0.897 | 78% | 0.777 | S | S | * | * | cis | -129.5 | -174.1 | 17.7 | -65.8 | -179.9 | 101.9 | 0 | 0 | 113.9 | ||||
| 222 | S | 40.3 | Very low | 34.4 | Very low | 112 Ų | 112 | 127.1 Ų | 127.1 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | trans | -139.2 | 158.3 | 172.4 | -126.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 223 | P | 50.3 | Low | 34.6 | Very low | 114 Ų | 114 | 125 Ų | 125 | 74% | 0.74 | 78% | 0.781 | S | S | * | * | -154.8 | -178.1 | 51.2 | 42.7 | -21.5 | 0 | 0 | 0 | 118.8 | |||||
| 224 | L | 31.9 | Very low | 34.9 | Very low | 168 Ų | 168 | 123 Ų | 123 | 88% | 0.88 | 79% | 0.793 | S | S | * | * | trans | 89.6 | 145.8 | 141 | -153.1 | 66.6 | 0 | 0 | 0 | 121.5 | ||||
| 225 | A | 31.3 | Very low | 35.4 | Very low | 87 Ų | 87 | 125.8 Ų | 125.8 | 72% | 0.719 | 80% | 0.798 | S | S | * | * | trans | 90.5 | 129.8 | 157.1 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 226 | D | 29.4 | Very low | 35.3 | Very low | 174 Ų | 174 | 127.5 Ų | 127.5 | 93% | 0.93 | 81% | 0.814 | S | S | * | * | trans | -38.6 | 159.5 | 177.1 | -68.7 | -91.9 | 0 | 0 | 0 | 121.3 | ||||
| 227 | G | 32.2 | Very low | 35.8 | Very low | 80 Ų | 80 | 127.2 Ų | 127.2 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | trans | 179.5 | 75.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 228 | Q | 32.8 | Very low | 36.2 | Very low | 168 Ų | 168 | 126.7 Ų | 126.7 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | trans | -38.9 | 141.2 | 176.6 | -166.2 | 72.8 | -18 | 0 | 0 | 118.8 | ||||
| 229 | H | 35.2 | Very low | 37.1 | Very low | 157 Ų | 157 | 128.3 Ų | 128.3 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | -11.2 | 170 | 154.2 | -67.1 | -91.5 | 0 | 0 | 0 | 121.7 | ||||
| 230 | P | 53.6 | Low | 37.9 | Very low | 93 Ų | 93 | 130.9 Ų | 130.9 | 60% | 0.604 | 81% | 0.807 | S | S | * | * | cis | -138.3 | -168.9 | -33.6 | 39.8 | -21.6 | 0 | 0 | 0 | 112.9 | ||||
| 231 | H | 35.3 | Very low | 38.5 | Very low | 186 Ų | 186 | 132 Ų | 132 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | 170.5 | 162.8 | 125.8 | -93.5 | -69.9 | 0 | 0 | 0 | 114.4 | |||||
| 232 | A | 34.3 | Very low | 39 | Very low | 89 Ų | 89 | 128.5 Ų | 128.5 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | trans | -93.6 | 161.2 | -146.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 233 | A | 36.4 | Very low | 39.3 | Very low | 109 Ų | 109 | 129.3 Ų | 129.3 | 90% | 0.901 | 80% | 0.8 | S | S | * | * | trans | 68.7 | 127.9 | 143.6 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 234 | G | 34.3 | Very low | 38.9 | Very low | 79 Ų | 79 | 130.1 Ų | 130.1 | 81% | 0.814 | 80% | 0.803 | S | S | * | * | trans | -168.8 | 140.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 235 | Q | 42.3 | Very low | 39.5 | Very low | 179 Ų | 179 | 128.1 Ų | 128.1 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | trans | -100.2 | 154.7 | -169.7 | -69.8 | 173.3 | -8.3 | 0 | 0 | 113.3 | H237 | Q235-H237 PolarHBondContact O-CD2 3.36Å; Q235-H237 PolarHBondContact O-N 3.38Å | ||
| 236 | S | 33.3 | Very low | 40.2 | Very low | 125 Ų | 125 | 130 Ų | 130 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | trans | -78.3 | 114.6 | -179.2 | 45.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 237 | H | 42.8 | Very low | 40.4 | Very low | 179 Ų | 179 | 130.9 Ų | 130.9 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 127.4 | 174.3 | -73.3 | -85.3 | 0 | 0 | 0 | 112 | Q235 | Q235-H237 PolarHBondContact O-CD2 3.36Å; Q235-H237 PolarHBondContact O-N 3.38Å |
| 238 | S | 39.7 | Very low | 40.5 | Very low | 107 Ų | 107 | 132 Ų | 132 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 152.2 | 168.2 | 48.6 | 0 | 0 | 0 | 0 | 111.4 | ||
| 239 | P | 47.8 | Very low | 40.4 | Very low | 118 Ų | 118 | 132.1 Ų | 132.1 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 141.9 | -178.1 | 29.3 | -34.8 | 0 | 0 | 0 | 112.2 | ||
| 240 | P | 47.3 | Very low | 40.5 | Very low | 128 Ų | 128 | 131.7 Ų | 131.7 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 150.4 | -173.5 | 31 | -36.2 | 0 | 0 | 0 | 114 | ||
| 241 | T | 46.8 | Very low | 39.4 | Very low | 129 Ų | 129 | 135.9 Ų | 135.9 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -86 | 149.5 | 170.6 | 46 | 0 | 0 | 0 | 0 | 112.3 | ||
| 242 | P | 41.8 | Very low | 39.2 | Very low | 118 Ų | 118 | 133.1 Ų | 133.1 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -72 | 142.9 | 176.8 | 30.2 | -34.9 | 0 | 0 | 0 | 112.2 | ||
| 243 | P | 47.2 | Very low | 39.1 | Very low | 129 Ų | 129 | 132.3 Ų | 132.3 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 155 | -174.4 | 31.8 | -36 | 0 | 0 | 0 | 114.6 | ||
| 244 | T | 40.3 | Very low | 38.8 | Very low | 130 Ų | 130 | 136.3 Ų | 136.3 | 80% | 0.798 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 154.1 | -179.1 | -45.3 | 0 | 0 | 0 | 0 | 112.9 | ||
| 245 | T | 45 | Very low | 38.9 | Very low | 126 Ų | 126 | 138.7 Ų | 138.7 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 132.8 | 172.7 | 51.3 | 0 | 0 | 0 | 0 | 113.9 | ||
| 246 | P | 45.3 | Very low | 38.5 | Very low | 127 Ų | 127 | 133.8 Ų | 133.8 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -88.9 | -177.6 | 161.9 | 36.2 | -32.9 | 0 | 0 | 0 | 112.2 | ||||
| 247 | K | 33.7 | Very low | 38.4 | Very low | 192 Ų | 192 | 135.9 Ų | 135.9 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | -154.3 | 146.3 | -159.4 | -168.7 | -153.4 | 174.8 | -165.9 | 0 | 112 | ||||
| 248 | T | 35.8 | Very low | 38 | Very low | 103 Ų | 103 | 130.3 Ų | 130.3 | 63% | 0.632 | 79% | 0.791 | S | S | * | * | trans | 81 | 146.3 | 157.9 | -10.4 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 249 | E | 29.4 | Very low | 37.8 | Very low | 172 Ų | 172 | 134.2 Ų | 134.2 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | 93.9 | 169.2 | 142.5 | -111.7 | 160.7 | 115.2 | 0 | 0 | 123 | ||||
| 250 | L | 37.3 | Very low | 37.3 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | trans | -127 | 152.1 | -147.7 | -65.1 | 143.4 | 0 | 0 | 0 | 112.6 | ||||
| 251 | Q | 31.5 | Very low | 36.6 | Very low | 181 Ų | 181 | 138.5 Ų | 138.5 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | 163.7 | 136.1 | 117 | -88.6 | 169.6 | 80.2 | 0 | 0 | 116 | |||||
| 252 | S | 30 | Very low | 36.1 | Very low | 128 Ų | 128 | 136 Ų | 136 | 90% | 0.895 | 79% | 0.785 | S | S | * | * | trans | 39.4 | 134.8 | 140 | -157.7 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 253 | G | 32 | Very low | 35.8 | Very low | 73 Ų | 73 | 135.4 Ų | 135.4 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | -169.9 | 8.4 | 178 | 0 | 0 | 0 | 0 | 0 | 127 | ||||
| 254 | K | 31.9 | Very low | 35.1 | Very low | 192 Ų | 192 | 133 Ų | 133 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | 55.1 | 103.1 | 151.1 | -170.2 | 165.2 | -178.5 | 179.3 | 0 | 123.9 | ||||
| 255 | T | 36.2 | Very low | 34.8 | Very low | 129 Ų | 129 | 134.8 Ų | 134.8 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | 62.8 | 132 | 136.1 | 62.8 | 0 | 0 | 0 | 0 | 126.9 | ||||
| 256 | G | 32.8 | Very low | 34.2 | Very low | 76 Ų | 76 | 132.3 Ų | 132.3 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | trans | 104.1 | 159.4 | 137.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 257 | D | 32.4 | Very low | 33.6 | Very low | 170 Ų | 170 | 129.3 Ų | 129.3 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | cis | -166.9 | 167.5 | -30.5 | -157.7 | -71.1 | 0 | 0 | 0 | 107.9 | ||||
| 258 | G | 33.2 | Very low | 33.8 | Very low | 61 Ų | 61 | 126.7 Ų | 126.7 | 63% | 0.629 | 79% | 0.785 | S | S | * | * | trans | 83.3 | 120.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 259 | K | 35.6 | Very low | 33.8 | Very low | 189 Ų | 189 | 132.3 Ų | 132.3 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | cis | 74.9 | 111.4 | 27.5 | -168.3 | -179.6 | 179.3 | 176.5 | 0 | 115.6 | ||||
| 260 | R | 38.2 | Very low | 33.9 | Very low | 203 Ų | 203 | 128.5 Ų | 128.5 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | -174.1 | 155 | 111.3 | -164 | 151.5 | -169.1 | 169.5 | 4.7 | 114.7 | |||||
| 261 | E | 32.9 | Very low | 33.7 | Very low | 134 Ų | 134 | 127.2 Ų | 127.2 | 63% | 0.626 | 79% | 0.786 | S | S | * | * | trans | -33.1 | 160.5 | 165.8 | -58 | 115.4 | -134.1 | 0 | 0 | 116.2 | ||||
| 262 | G | 36.2 | Very low | 33.7 | Very low | 77 Ų | 77 | 126.8 Ų | 126.8 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | cis | 153.3 | -173.6 | 14 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 263 | A | 34.1 | Very low | 33.9 | Very low | 104 Ų | 104 | 125 Ų | 125 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | cis | -167.3 | 151.9 | -16.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 264 | G | 32.8 | Very low | 34 | Very low | 80 Ų | 80 | 126.3 Ų | 126.3 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | trans | 84.6 | 168.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 265 | N | 35.4 | Very low | 34 | Very low | 166 Ų | 166 | 125.5 Ų | 125.5 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | cis | -161.9 | 139.1 | -12.7 | -169.6 | 26.8 | 0 | 0 | 0 | 112.9 | ||||
| 266 | G | 32 | Very low | 33.6 | Very low | 75 Ų | 75 | 122.8 Ų | 122.8 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | trans | 71.5 | 155.8 | 164.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 267 | G | 32.8 | Very low | 34 | Very low | 63 Ų | 63 | 125.3 Ų | 125.3 | 65% | 0.649 | 78% | 0.779 | S | S | * | * | cis | 158.4 | 135.7 | -14.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 268 | T | 36.5 | Very low | 34.7 | Very low | 137 Ų | 137 | 123.3 Ų | 123.3 | 84% | 0.84 | 78% | 0.775 | S | S | * | * | trans | 67.4 | 156.5 | 165.1 | 72 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 269 | R | 35.9 | Very low | 34.7 | Very low | 222 Ų | 222 | 123.9 Ų | 123.9 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | cis | -164.7 | 173 | -21.2 | -107.2 | 172 | 76.3 | 176.4 | 5.8 | 108.3 | ||||
| 270 | S | 31.2 | Very low | 35.3 | Very low | 92 Ų | 92 | 121.7 Ų | 121.7 | 64% | 0.643 | 79% | 0.79 | S | S | * | * | trans | 77.2 | 108.4 | 162.2 | -58.2 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 271 | T | 33.1 | Very low | 35.2 | Very low | 120 Ų | 120 | 114.9 Ų | 114.9 | 74% | 0.736 | 78% | 0.783 | S | S | * | * | 61.9 | 130.2 | 93.5 | 64.2 | 0 | 0 | 0 | 0 | 114 | |||||
| 272 | M | 31.4 | Very low | 36.2 | Very low | 171 Ų | 171 | 118.3 Ų | 118.3 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | -175.6 | 160.3 | 59.8 | 52 | -143 | 141.3 | 0 | 0 | 113.5 | |||||
| 273 | A | 35 | Very low | 36.8 | Very low | 91 Ų | 91 | 120.2 Ų | 120.2 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | trans | 47 | 115.3 | 155.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 274 | A | 34.3 | Very low | 37.6 | Very low | 100 Ų | 100 | 123.6 Ų | 123.6 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | 80.3 | 149.9 | 96.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 275 | E | 31.5 | Very low | 38.8 | Very low | 176 Ų | 176 | 125 Ų | 125 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | cis | -146.8 | 157.4 | -2.5 | -129.4 | -68.6 | 155.6 | 0 | 0 | 106.4 | ||||
| 276 | G | 28.6 | Very low | 39.9 | Very low | 72 Ų | 72 | 121.8 Ų | 121.8 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | trans | 177.3 | 92.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 277 | V | 40.2 | Very low | 41.1 | Very low | 128 Ų | 128 | 126 Ų | 126 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | trans | -104.2 | 132.3 | 163.2 | 175.9 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 278 | P | 48.2 | Very low | 42.7 | Very low | 128 Ų | 128 | 126 Ų | 126 | 83% | 0.831 | 76% | 0.76 | S | S | * | * | -148.1 | 167.1 | 58.7 | 41 | -22 | 0 | 0 | 0 | 118 | |||||
| 279 | G | 33.2 | Very low | 43.8 | Very low | 74 Ų | 74 | 126.4 Ų | 126.4 | 76% | 0.763 | 76% | 0.757 | S | S | * | * | trans | 168.2 | 101.4 | 163.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | G281 | G279-G281 PolarHBondContact O-N 2.97Š| ||
| 280 | S | 47.6 | Very low | 45.1 | Very low | 142 Ų | 142 | 118.7 Ų | 118.7 | 99% | 0.993 | 73% | 0.734 | S | S | * | * | trans | -74.1 | 85.6 | 174.6 | -178.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 281 | G | 36.2 | Very low | 46.5 | Very low | 61 Ų | 61 | 119.5 Ų | 119.5 | 63% | 0.629 | 73% | 0.731 | S | S | * | * | trans | -106.6 | 141.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | G279 | G279-G281 PolarHBondContact O-N 2.97Š| ||
| 282 | K | 53.4 | Low | 47.9 | Very low | 205 Ų | 205 | 119.6 Ų | 119.6 | 89% | 0.891 | 73% | 0.726 | S | S | * | * | trans | -63.7 | 133.5 | 172.8 | -62.1 | 171.1 | -175.6 | 172.1 | 0 | 108.7 | H284 | K282-H284 PolarHBondContact O-N 3.36Å; K282-H284 VanDerWaalsContact O-N 3.08Å | ||
| 283 | P | 50.2 | Low | 49.6 | Very low | 117 Ų | 117 | 113.7 Ų | 113.7 | 76% | 0.76 | 71% | 0.709 | S | S | * | * | trans | -62.6 | 116.6 | 175.4 | 25.4 | -32.9 | 0 | 0 | 0 | 109.5 | I285 | P283-I285 PolarHBondContact O-N 3.02Š| ||
| 284 | H | 49.8 | Very low | 50.8 | Low | 175 Ų | 175 | 116.8 Ų | 116.8 | 81% | 0.81 | 71% | 0.708 | S | S | * | * | trans | -72 | 107.1 | 162.4 | -178.7 | 17 | 0 | 0 | 0 | 106.2 | K282 D286 | K282-H284 PolarHBondContact O-N 3.36Å; K282-H284 VanDerWaalsContact O-N 3.08Å; H284-D286 PolarHBondContact O-N 3.13Å | ||
| 285 | I | 57.3 | Low | 51.9 | Low | 110 Ų | 110 | 115.9 Ų | 115.9 | 56% | 0.564 | 69% | 0.688 | S | S | * | * | trans | -68.8 | 102.3 | 177.2 | -56.5 | 173.9 | 0 | 0 | 0 | 107.3 | P283 F287 | P283-I285 PolarHBondContact O-N 3.02Å; I285-F287 HydrophobicContact CB-CE2 4.17Å; I285-F287 HydrophobicContact CB-CZ 4.43Å; I285-F287 HydrophobicContact CG2-CD2 4.21Å; I285-F287 HydrophobicContact CG2-CE1 4.1Å; I285-F287 HydrophobicContact CG2-CE2 3.72Å; I285-F287 HydrophobicContact CG2-CZ 3.66Å; I285-F287 WeakPolarHBondContact O-CD2 3.4Å | ||
| 286 | D | 60 | Low | 53.3 | Low | 99 Ų | 99 | 109.9 Ų | 109.9 | 53% | 0.529 | 67% | 0.666 | S | S | . | * | trans | -86.3 | 117.5 | 172 | -167.4 | -15.8 | 0 | 0 | 0 | 109 | H284 G288 | H284-D286 PolarHBondContact O-N 3.13Å; D286-G288 VanDerWaalsContact C-N 3.29Å; D286-G288 PolarHBondContact OD1-N 3.22Å | ||
| 287 | F | 57.2 | Low | 54.8 | Low | 162 Ų | 162 | 112.8 Ų | 112.8 | 71% | 0.711 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -83.9 | -3.6 | -179.5 | -68.6 | -88.9 | 0 | 0 | 0 | 112.8 | I285 N289 | I285-F287 HydrophobicContact CB-CE2 4.17Å; I285-F287 HydrophobicContact CB-CZ 4.43Å; I285-F287 HydrophobicContact CG2-CD2 4.21Å; I285-F287 HydrophobicContact CG2-CE1 4.1Å; I285-F287 HydrophobicContact CG2-CE2 3.72Å; I285-F287 HydrophobicContact CG2-CZ 3.66Å; I285-F287 WeakPolarHBondContact O-CD2 3.4Å; F287-N289 VanDerWaalsContact C-N 3.25Å; F287-N289 PolarHBondContact O-N 3.35Å |
| 288 | G | 65.8 | Low | 56 | Low | 64 Ų | 64 | 112.9 Ų | 112.9 | 66% | 0.66 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -68.7 | -19.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | D286 | D286-G288 VanDerWaalsContact C-N 3.29Å; D286-G288 PolarHBondContact OD1-N 3.22Å |
| 289 | N | 58.9 | Low | 56.8 | Low | 145 Ų | 145 | 111 Ų | 111 | 78% | 0.775 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -124.6 | 10.7 | -171.4 | -74.9 | 77 | 0 | 0 | 0 | 114.1 | F287 D291 | F287-N289 VanDerWaalsContact C-N 3.25Å; F287-N289 PolarHBondContact O-N 3.35Å; N289-D291 PolarHBondContact O-N 3.06Å |
| 290 | V | 64.6 | Low | 58.1 | Low | 60 Ų | 60 | 113.7 Ų | 113.7 | 36% | 0.364 | 63% | 0.632 | S | S | . | * | trans | -79.5 | 105.2 | 175.4 | 178.1 | 0 | 0 | 0 | 0 | 108.8 | I292 I295 | V290-I292 PolarHBondContact O-N 2.94Å; V290-I292 VanDerWaalsContact O-N 3.15Å; V290-I295 HydrophobicContact CG1-CD1 3.8Å; V290-I295 HydrophobicContact CG1-CG1 4.43Å; V290-I295 HydrophobicContact CG1-CG2 4.39Å | ||
| 291 | D | 60.5 | Low | 59 | Low | 109 Ų | 109 | 110.4 Ų | 110.4 | 58% | 0.583 | 61% | 0.613 | S | S | * | * | trans | -71.3 | 110.2 | 174.7 | -163.1 | -34.4 | 0 | 0 | 0 | 110 | N289 G293 E294 | N289-D291 PolarHBondContact O-N 3.06Å; D291-G293 PolarHBondContact O-N 3.05Å; D291-G293 PolarHBondContact OD1-N 3.29Å; D291-E294 PolarHBondContact O-N 2.9Å | ||
| 292 | I | 62.4 | Low | 60.2 | Low | 123 Ų | 123 | 114 Ų | 114 | 63% | 0.631 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64.2 | -20.2 | -177.5 | -66.3 | 168.6 | 0 | 0 | 0 | 111.1 | V290 S296 | V290-I292 PolarHBondContact O-N 2.94Å; V290-I292 VanDerWaalsContact O-N 3.15Å; I292-S296 VanDerWaalsContact O-CB 3.25Å; I292-S296 WeakPolarHBondContact O-CB 3.41Å; I292-S296 PolarHBondContact O-N 3.01Å; I292-S296 PolarHBondContact O-OG 3.23Å |
| 293 | G | 67.7 | Low | 61 | Low | 46 Ų | 46 | 109.2 Ų | 109.2 | 47% | 0.474 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -65.9 | -50.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D291 S296 H297 | D291-G293 PolarHBondContact O-N 3.05Å; D291-G293 PolarHBondContact OD1-N 3.29Å; G293-S296 PolarHBondContact O-N 2.7Å; G293-H297 PolarHBondContact O-N 3.41Å |
| 294 | E | 58.7 | Low | 61.7 | Low | 156 Ų | 156 | 111.9 Ų | 111.9 | 73% | 0.729 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -67.2 | -49.6 | -177.3 | -78.6 | -168.8 | 138 | 0 | 0 | 112 | D291 S296 H297 E298 | D291-E294 PolarHBondContact O-N 2.9Å; E294-S296 PolarHBondContact O-N 3.06Å; E294-H297 PolarHBondContact O-N 3.31Å; E294-E298 PolarHBondContact O-N 3.02Å |
| 295 | I | 58.8 | Low | 62.2 | Low | 82 Ų | 82 | 109.3 Ų | 109.3 | 42% | 0.421 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -62.8 | -29.3 | 178.7 | 56.4 | 163.3 | 0 | 0 | 0 | 112.5 | V290 V299 | V290-I295 HydrophobicContact CG1-CD1 3.8Å; V290-I295 HydrophobicContact CG1-CG1 4.43Å; V290-I295 HydrophobicContact CG1-CG2 4.39Å; I295-V299 WeakPolarHBondContact O-CB 3.47Å; I295-V299 VanDerWaalsContact O-CG2 3.24Å; I295-V299 WeakPolarHBondContact O-CG2 3.26Å; I295-V299 PolarHBondContact O-N 3.45Å; I295-V299 VanDerWaalsContact O-N 3.09Å |
| 296 | S | 61 | Low | 61.7 | Low | 49 Ų | 49 | 111.7 Ų | 111.7 | 34% | 0.343 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -67.7 | -40.9 | 173.2 | -63.2 | 0 | 0 | 0 | 0 | 111 | I292 G293 E294 M300 | I292-S296 VanDerWaalsContact O-CB 3.25Å; I292-S296 WeakPolarHBondContact O-CB 3.41Å; I292-S296 PolarHBondContact O-N 3.01Å; I292-S296 PolarHBondContact O-OG 3.23Å; G293-S296 PolarHBondContact O-N 2.7Å; E294-S296 PolarHBondContact O-N 3.06Å; S296-M300 VanDerWaalsContact O-CB 3.3Å; S296-M300 WeakPolarHBondContact O-CB 3.37Å; S296-M300 WeakPolarHBondContact O-CE 3.44Å; S296-M300 WeakPolarHBondContact O-CG 3.32Å; S296-M300 PolarHBondContact O-N 3.25Å |
| 297 | H | 58.6 | Low | 61.6 | Low | 134 Ų | 134 | 111.8 Ų | 111.8 | 62% | 0.62 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -69.7 | -39.1 | 179.7 | -163.1 | -70.8 | 0 | 0 | 0 | 112.4 | G293 E294 A301 | G293-H297 PolarHBondContact O-N 3.41Å; E294-H297 PolarHBondContact O-N 3.31Å; H297-A301 VanDerWaalsContact O-CB 3.25Å; H297-A301 WeakPolarHBondContact O-CB 3.48Å; H297-A301 PolarHBondContact O-N 3.22Å |
| 298 | E | 65.5 | Low | 61.8 | Low | 130 Ų | 130 | 109.6 Ų | 109.6 | 61% | 0.607 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65.6 | -43.3 | 175.2 | -171.5 | 179.3 | -166.1 | 0 | 0 | 111.8 | E294 A301 N302 | E294-E298 PolarHBondContact O-N 3.02Å; E298-A301 PolarHBondContact O-N 3.04Å; E298-N302 PolarHBondContact O-N 3.46Å; E298-N302 VanDerWaalsContact O-N 3.11Å |
| 299 | V | 66.1 | Low | 61.3 | Low | 88 Ų | 88 | 112.8 Ų | 112.8 | 53% | 0.533 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -66.3 | -43.7 | 176.3 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | I295 A301 N302 M303 | I295-V299 WeakPolarHBondContact O-CB 3.47Å; I295-V299 VanDerWaalsContact O-CG2 3.24Å; I295-V299 WeakPolarHBondContact O-CG2 3.26Å; I295-V299 PolarHBondContact O-N 3.45Å; I295-V299 VanDerWaalsContact O-N 3.09Å; V299-A301 VanDerWaalsContact C-N 3.29Å; V299-A301 PolarHBondContact O-N 3.03Å; V299-N302 PolarHBondContact O-N 3Å; V299-M303 HydrophobicContact CG1-CG 4.47Å; V299-M303 HydrophobicContact CG1-SD 4.1Å; V299-M303 WeakPolarHBondContact O-CG 3.28Å; V299-M303 PolarHBondContact O-N 3.32Å; V299-M303 VanDerWaalsContact O-N 3.1Å |
| 300 | M | 60.8 | Low | 61.7 | Low | 131 Ų | 131 | 111.5 Ų | 111.5 | 65% | 0.645 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65.8 | -29.2 | 176.9 | -73.1 | -174.9 | -60.8 | 0 | 0 | 113.1 | S296 | S296-M300 VanDerWaalsContact O-CB 3.3Å; S296-M300 WeakPolarHBondContact O-CB 3.37Å; S296-M300 WeakPolarHBondContact O-CE 3.44Å; S296-M300 WeakPolarHBondContact O-CG 3.32Å; S296-M300 PolarHBondContact O-N 3.25Å |
| 301 | A | 65.2 | Low | 60.9 | Low | 73 Ų | 73 | 114.6 Ų | 114.6 | 60% | 0.603 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -79.6 | -27.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | H297 E298 V299 | H297-A301 VanDerWaalsContact O-CB 3.25Å; H297-A301 WeakPolarHBondContact O-CB 3.48Å; H297-A301 PolarHBondContact O-N 3.22Å; E298-A301 PolarHBondContact O-N 3.04Å; V299-A301 VanDerWaalsContact C-N 3.29Å; V299-A301 PolarHBondContact O-N 3.03Å |
| 302 | N | 62.3 | Low | 60.8 | Low | 136 Ų | 136 | 114.7 Ų | 114.7 | 73% | 0.727 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -95.2 | -0.2 | 176.6 | -85.2 | -34.1 | 0 | 0 | 0 | 114 | E298 V299 | E298-N302 PolarHBondContact O-N 3.46Å; E298-N302 VanDerWaalsContact O-N 3.11Å; V299-N302 PolarHBondContact O-N 3Å |
| 303 | M | 69.1 | Low | 60.9 | Low | 105 Ų | 105 | 116.3 Ų | 116.3 | 52% | 0.517 | 61% | 0.614 | S | S | . | * | S | Bend | trans | -81.3 | 126.4 | 168.7 | -80.3 | 179.2 | 65.7 | 0 | 0 | 110.3 | V299 F306 | V299-M303 HydrophobicContact CG1-CG 4.47Å; V299-M303 HydrophobicContact CG1-SD 4.1Å; V299-M303 WeakPolarHBondContact O-CG 3.28Å; V299-M303 PolarHBondContact O-N 3.32Å; V299-M303 VanDerWaalsContact O-N 3.1Å; M303-F306 HydrophobicContact CE-CD2 4.36Å; M303-F306 HydrophobicContact CE-CE2 4.26Å |
| 304 | E | 65.8 | Low | 60.1 | Low | 172 Ų | 172 | 122.1 Ų | 122.1 | 80% | 0.804 | 62% | 0.623 | S | S | * | * | trans | -56.5 | 139.6 | 169.7 | -171.5 | 171.4 | -151.4 | 0 | 0 | 110 | F306 | E304-F306 PolarHBondContact O-N 3.5Š| ||
| 305 | P | 59.6 | Low | 60.6 | Low | 122 Ų | 122 | 119.1 Ų | 119.1 | 79% | 0.792 | 61% | 0.611 | S | S | * | * | trans | -59.9 | 109.8 | 177.7 | 24 | -34.6 | 0 | 0 | 0 | 110.3 | D307 | P305-D307 PolarHBondContact O-N 2.66Å; P305-D307 VanDerWaalsContact O-N 3.15Å | ||
| 306 | F | 46.8 | Very low | 60.2 | Low | 160 Ų | 160 | 119.9 Ų | 119.9 | 70% | 0.702 | 62% | 0.621 | S | S | * | * | trans | -52.4 | 116.1 | -178.2 | -121.7 | -100.7 | 0 | 0 | 0 | 111 | M303 E304 V308 | M303-F306 HydrophobicContact CE-CD2 4.36Å; M303-F306 HydrophobicContact CE-CE2 4.26Å; E304-F306 PolarHBondContact O-N 3.5Å; F306-V308 PolarHBondContact O-N 2.98Å | ||
| 307 | D | 58.8 | Low | 59.9 | Low | 100 Ų | 100 | 123.9 Ų | 123.9 | 54% | 0.535 | 65% | 0.646 | S | S | . | * | trans | -72.2 | 102.8 | 173.1 | -170 | -1.4 | 0 | 0 | 0 | 109.5 | P305 N309 E310 | P305-D307 PolarHBondContact O-N 2.66Å; P305-D307 VanDerWaalsContact O-N 3.15Å; D307-N309 PolarHBondContact O-N 2.68Å; D307-N309 VanDerWaalsContact O-N 3.12Å; D307-N309 WeakPolarHBondContact OD1-CA 3.3Å; D307-N309 WeakPolarHBondContact OD1-CB 3.39Å; D307-N309 PolarHBondContact OD1-N 3.43Å; D307-E310 HydrophobicContact CB-CB 4.39Å; D307-E310 PolarHBondContact O-N 3.48Å; D307-E310 VanDerWaalsContact O-N 3.07Å | ||
| 308 | V | 60 | Low | 59.5 | Low | 116 Ų | 116 | 125.1 Ų | 125.1 | 70% | 0.703 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -56.2 | -27.8 | 175.9 | -175.8 | 0 | 0 | 0 | 0 | 110.8 | F306 F311 | F306-V308 PolarHBondContact O-N 2.98Å; V308-F311 PolarHBondContact O-N 3.13Å |
| 309 | N | 56 | Low | 58.8 | Low | 132 Ų | 132 | 122.2 Ų | 122.2 | 71% | 0.706 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -78.9 | -15.8 | -178.3 | -128.3 | 101.6 | 0 | 0 | 0 | 113.8 | D307 | D307-N309 PolarHBondContact O-N 2.68Å; D307-N309 VanDerWaalsContact O-N 3.12Å; D307-N309 WeakPolarHBondContact OD1-CA 3.3Å; D307-N309 WeakPolarHBondContact OD1-CB 3.39Å; D307-N309 PolarHBondContact OD1-N 3.43Å |
| 310 | E | 66.8 | Low | 57.9 | Low | 118 Ų | 118 | 126.1 Ų | 126.1 | 55% | 0.551 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -80.7 | -36.6 | 169.6 | -172.4 | 178.1 | -171.8 | 0 | 0 | 111.2 | D307 D312 Q313 Y314 | D307-E310 HydrophobicContact CB-CB 4.39Å; D307-E310 PolarHBondContact O-N 3.48Å; D307-E310 VanDerWaalsContact O-N 3.07Å; E310-D312 PolarHBondContact O-N 3.29Å; E310-Q313 WeakPolarHBondContact O-CB 3.34Å; E310-Q313 PolarHBondContact O-N 3.48Å; E310-Y314 HydrophobicContact CG-CE2 4.29Å; E310-Y314 WeakPolarHBondContact O-CD2 3.35Å |
| 311 | F | 49.6 | Very low | 57.1 | Low | 125 Ų | 125 | 126.3 Ų | 126.3 | 55% | 0.548 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -64.9 | -38.9 | -175.5 | -171.1 | -101.9 | 0 | 0 | 0 | 113.4 | V308 Q313 Y314 L315 | V308-F311 PolarHBondContact O-N 3.13Å; F311-Q313 PolarHBondContact O-N 3.06Å; F311-Y314 PolarHBondContact O-N 2.95Å; F311-Y314 VanDerWaalsContact O-N 3.1Å; F311-L315 HydrophobicContact CE1-CD2 4.06Å |
| 312 | D | 57.8 | Low | 55.8 | Low | 111 Ų | 111 | 125 Ų | 125 | 59% | 0.594 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -60.1 | -26.2 | 177.7 | -102.4 | 10.3 | 0 | 0 | 0 | 112.9 | E310 Y314 L315 | E310-D312 PolarHBondContact O-N 3.29Å; D312-Y314 PolarHBondContact O-N 3.14Å; D312-L315 PolarHBondContact O-N 3.35Å; D312-L315 WeakPolarHBondContact OD1-CD1 3.41Å |
| 313 | Q | 64.4 | Low | 54.6 | Low | 156 Ų | 156 | 125.3 Ų | 125.3 | 73% | 0.729 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -68 | -16 | 178.3 | -170.1 | 165.3 | 96.2 | 0 | 0 | 113.3 | E310 F311 | E310-Q313 WeakPolarHBondContact O-CB 3.34Å; E310-Q313 PolarHBondContact O-N 3.48Å; F311-Q313 PolarHBondContact O-N 3.06Å |
| 314 | Y | 50 | Low | 52.9 | Low | 169 Ų | 169 | 124.4 Ų | 124.4 | 66% | 0.663 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -104.9 | 1.7 | -179.9 | -65.4 | -78.7 | 0 | 0 | 0 | 114.1 | E310 F311 D312 | E310-Y314 HydrophobicContact CG-CE2 4.29Å; E310-Y314 WeakPolarHBondContact O-CD2 3.35Å; F311-Y314 PolarHBondContact O-N 2.95Å; F311-Y314 VanDerWaalsContact O-N 3.1Å; D312-Y314 PolarHBondContact O-N 3.14Å |
| 315 | L | 68.9 | Low | 51.4 | Low | 92 Ų | 92 | 120.8 Ų | 120.8 | 48% | 0.482 | 70% | 0.702 | S | S | . | * | S | Bend | trans | -81.5 | 136.3 | 175.3 | -64.7 | -178.5 | 0 | 0 | 0 | 111.6 | F311 D312 | F311-L315 HydrophobicContact CE1-CD2 4.06Å; D312-L315 PolarHBondContact O-N 3.35Å; D312-L315 WeakPolarHBondContact OD1-CD1 3.41Å |
| 316 | P | 50.3 | Low | 50.2 | Low | 99 Ų | 99 | 119.6 Ų | 119.6 | 64% | 0.643 | 70% | 0.703 | S | S | * | * | trans | -68.2 | 142.4 | 173 | 28.7 | -33.6 | 0 | 0 | 0 | 110.5 | N318 | P316-N318 PolarHBondContact O-N 2.8Š| ||
| 317 | P | 56.6 | Low | 50.1 | Low | 132 Ų | 132 | 118.2 Ų | 118.2 | 86% | 0.857 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -70.8 | 13.8 | -165.3 | 28.6 | -37.6 | 0 | 0 | 0 | 116.5 | ||
| 318 | N | 50.2 | Low | 48.8 | Very low | 161 Ų | 161 | 117.6 Ų | 117.6 | 86% | 0.861 | 73% | 0.727 | S | S | * | * | trans | -106.6 | 30.5 | -175.1 | -88.1 | 74.3 | 0 | 0 | 0 | 113.1 | P316 | P316-N318 PolarHBondContact O-N 2.8Š| ||
| 319 | G | 49.9 | Very low | 47.4 | Very low | 68 Ų | 68 | 116 Ų | 116 | 70% | 0.701 | 73% | 0.734 | S | S | * | * | trans | -101 | -20 | -172.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 320 | H | 46.8 | Very low | 46.3 | Very low | 171 Ų | 171 | 114.8 Ų | 114.8 | 79% | 0.792 | 74% | 0.743 | S | S | * | * | trans | -119.5 | 112.6 | -163.8 | -152.9 | -78.9 | 0 | 0 | 0 | 114.4 | G322 | H320-G322 PolarHBondContact O-N 3.42Å; H320-G322 VanDerWaalsContact O-N 3.09Å | ||
| 321 | P | 45.1 | Very low | 44.6 | Very low | 135 Ų | 135 | 113.9 Ų | 113.9 | 88% | 0.877 | 76% | 0.755 | S | S | * | * | trans | -82.7 | 78.3 | 172.8 | 33.8 | -33 | 0 | 0 | 0 | 110.3 | ||||
| 322 | G | 36.5 | Very low | 43.8 | Very low | 46 Ų | 46 | 112.7 Ų | 112.7 | 47% | 0.474 | 77% | 0.769 | S | S | . | * | trans | -152.3 | 115.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | H320 | H320-G322 PolarHBondContact O-N 3.42Å; H320-G322 VanDerWaalsContact O-N 3.09Å | ||
| 323 | V | 37.3 | Very low | 42.6 | Very low | 142 Ų | 142 | 112.3 Ų | 112.3 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | trans | 43.7 | 90.1 | 151.8 | -166.4 | 0 | 0 | 0 | 0 | 116.4 | A325 | V323-A325 PolarHBondContact O-N 3.35Š| ||
| 324 | G | 34.1 | Very low | 41 | Very low | 85 Ų | 85 | 108.9 Ų | 108.9 | 88% | 0.876 | 79% | 0.787 | S | S | * | * | trans | -69.5 | 124.1 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 325 | A | 34.8 | Very low | 40.1 | Very low | 97 Ų | 97 | 105 Ų | 105 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | trans | -126.4 | 109.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | V323 | V323-A325 PolarHBondContact O-N 3.35Š| ||
| 326 | A | 34.7 | Very low | 38.4 | Very low | 97 Ų | 97 | 105.6 Ų | 105.6 | 80% | 0.802 | 82% | 0.816 | S | S | * | * | trans | -121.6 | 138.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 327 | P | 44 | Very low | 37.5 | Very low | 130 Ų | 130 | 105.4 Ų | 105.4 | 84% | 0.844 | 82% | 0.823 | S | S | * | * | trans | -86.4 | 134.4 | -171.7 | 32.4 | -34.6 | 0 | 0 | 0 | 114 | ||||
| 328 | G | 32.2 | Very low | 36.4 | Very low | 87 Ų | 87 | 104 Ų | 104 | 90% | 0.897 | 82% | 0.822 | S | S | * | * | trans | 50 | 93.8 | 142.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 329 | G | 29.9 | Very low | 35.6 | Very low | 84 Ų | 84 | 101.2 Ų | 101.2 | 87% | 0.866 | 82% | 0.822 | S | S | * | * | trans | -149.9 | 135 | 159.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 330 | A | 32.3 | Very low | 34.8 | Very low | 106 Ų | 106 | 103.5 Ų | 103.5 | 88% | 0.876 | 83% | 0.828 | S | S | * | * | trans | -106.6 | 142.5 | -167.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 331 | A | 31.8 | Very low | 35 | Very low | 98 Ų | 98 | 101.3 Ų | 101.3 | 81% | 0.81 | 83% | 0.829 | S | S | * | * | 178.8 | 135.3 | 127 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 332 | A | 32.3 | Very low | 34.4 | Very low | 101 Ų | 101 | 100.1 Ų | 100.1 | 84% | 0.835 | 83% | 0.83 | S | S | * | * | trans | 61.9 | 133.5 | 140.8 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 333 | A | 33.8 | Very low | 34.2 | Very low | 103 Ų | 103 | 103.2 Ų | 103.2 | 85% | 0.851 | 84% | 0.844 | S | S | * | * | trans | 79.4 | 96.7 | 138.4 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 334 | G | 30.4 | Very low | 34.9 | Very low | 84 Ų | 84 | 101.3 Ų | 101.3 | 87% | 0.866 | 84% | 0.835 | S | S | * | * | 101.9 | 153 | 118 | 0 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 335 | G | 30.5 | Very low | 34.7 | Very low | 86 Ų | 86 | 107.6 Ų | 107.6 | 89% | 0.887 | 83% | 0.834 | S | S | * | * | trans | 108.2 | 120 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 336 | A | 32.7 | Very low | 34.5 | Very low | 105 Ų | 105 | 107.8 Ų | 107.8 | 87% | 0.868 | 84% | 0.835 | S | S | * | * | trans | -101.1 | 173.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 337 | A | 32.2 | Very low | 34.6 | Very low | 95 Ų | 95 | 113.4 Ų | 113.4 | 79% | 0.785 | 84% | 0.837 | S | S | * | * | trans | 98.7 | 98.6 | 149.4 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 338 | A | 33 | Very low | 34.2 | Very low | 102 Ų | 102 | 110.9 Ų | 110.9 | 84% | 0.843 | 83% | 0.834 | S | S | * | * | 85.1 | 156.6 | 118.1 | 0 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 339 | A | 33.3 | Very low | 34.4 | Very low | 103 Ų | 103 | 113.4 Ų | 113.4 | 85% | 0.851 | 83% | 0.826 | S | S | * | * | trans | 76.9 | 104.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 340 | S | 33 | Very low | 34.8 | Very low | 117 Ų | 117 | 115.3 Ų | 115.3 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | trans | -102.5 | -171.7 | 154.8 | -51.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 341 | P | 50.9 | Low | 35 | Very low | 125 Ų | 125 | 116 Ų | 116 | 81% | 0.812 | 83% | 0.825 | S | S | * | * | -126.7 | 164.9 | -63.7 | 36.2 | -22 | 0 | 0 | 0 | 112.7 | |||||
| 342 | A | 32.7 | Very low | 35.2 | Very low | 109 Ų | 109 | 116.5 Ų | 116.5 | 90% | 0.901 | 83% | 0.829 | S | S | * | * | trans | -152.9 | 158 | 167.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 343 | S | 33.2 | Very low | 35.2 | Very low | 111 Ų | 111 | 120.1 Ų | 120.1 | 78% | 0.776 | 83% | 0.833 | S | S | * | * | trans | -163.8 | 172.8 | -175.2 | -166 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 344 | P | 51.4 | Low | 35.3 | Very low | 103 Ų | 103 | 119.5 Ų | 119.5 | 67% | 0.669 | 83% | 0.828 | S | S | * | * | cis | -124.1 | -156.3 | -22.6 | 17 | 9.5 | 0 | 0 | 0 | 111.3 | ||||
| 345 | Y | 29.5 | Very low | 35.5 | Very low | 216 Ų | 216 | 119.8 Ų | 119.8 | 85% | 0.847 | 82% | 0.822 | S | S | * | * | trans | 74 | 114.7 | 157.4 | -93.5 | -90.3 | 0 | 0 | 0 | 120.8 | ||||
| 346 | A | 30.6 | Very low | 35.7 | Very low | 101 Ų | 101 | 119.7 Ų | 119.7 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | trans | -158.5 | 136.6 | 136.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 347 | Y | 38 | Very low | 35.7 | Very low | 216 Ų | 216 | 120.6 Ų | 120.6 | 85% | 0.847 | 81% | 0.813 | S | S | * | * | trans | -96.8 | 150.6 | 170.4 | -117.5 | -101.7 | 0 | 0 | 0 | 109.5 | I349 | Y347-I349 HydrophobicContact CE1-CD1 4.49Š| ||
| 348 | G | 34.3 | Very low | 35.6 | Very low | 76 Ų | 76 | 119.8 Ų | 119.8 | 78% | 0.784 | 81% | 0.814 | S | S | * | * | trans | -161.7 | 88.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 349 | I | 37.3 | Very low | 35.9 | Very low | 141 Ų | 141 | 124.1 Ų | 124.1 | 72% | 0.723 | 82% | 0.816 | S | S | * | * | trans | -99.2 | 133.8 | 170.2 | -60 | 172.5 | 0 | 0 | 0 | 108.1 | Y347 | Y347-I349 HydrophobicContact CE1-CD1 4.49Š| ||
| 350 | S | 36.8 | Very low | 35.9 | Very low | 124 Ų | 124 | 125.5 Ų | 125.5 | 87% | 0.867 | 82% | 0.82 | S | S | * | * | trans | -150.8 | 111.3 | 168.9 | -75.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 351 | S | 36.4 | Very low | 36 | Very low | 121 Ų | 121 | 124.5 Ų | 124.5 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | trans | -86.9 | 144.7 | 165.4 | -59.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 352 | A | 36.6 | Very low | 35.1 | Very low | 108 Ų | 108 | 122.9 Ų | 122.9 | 89% | 0.893 | 82% | 0.816 | S | S | * | * | trans | -127.2 | 133.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 353 | L | 33.5 | Very low | 35 | Very low | 176 Ų | 176 | 130.1 Ų | 130.1 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | trans | -115.8 | 166.3 | -175.6 | 172.9 | 63.6 | 0 | 0 | 0 | 109.6 | ||||
| 354 | A | 35.3 | Very low | 35 | Very low | 90 Ų | 90 | 132.2 Ų | 132.2 | 74% | 0.744 | 82% | 0.822 | S | S | * | * | trans | 93.8 | 150.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 355 | A | 34 | Very low | 34.1 | Very low | 90 Ų | 90 | 132.6 Ų | 132.6 | 74% | 0.744 | 83% | 0.827 | S | S | * | * | cis | -169.1 | 173.7 | -23.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 356 | A | 34.5 | Very low | 34.2 | Very low | 85 Ų | 85 | 131.2 Ų | 131.2 | 70% | 0.702 | 83% | 0.825 | S | S | * | * | trans | 40.3 | 100.5 | 150.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 357 | S | 33.4 | Very low | 34.3 | Very low | 123 Ų | 123 | 134.3 Ų | 134.3 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | 68.7 | 117.7 | 75.9 | 76.8 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 358 | G | 30.3 | Very low | 33.9 | Very low | 79 Ų | 79 | 129.7 Ų | 129.7 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | trans | 177.7 | 121.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 359 | H | 39.1 | Very low | 34 | Very low | 192 Ų | 192 | 134.3 Ų | 134.3 | 89% | 0.889 | 81% | 0.809 | S | S | * | * | trans | -108.6 | 139.4 | 176.1 | -65.2 | 97.1 | 0 | 0 | 0 | 110.9 | ||||
| 360 | S | 33.3 | Very low | 33.8 | Very low | 132 Ų | 132 | 134.9 Ų | 134.9 | 92% | 0.923 | 81% | 0.809 | S | S | * | * | trans | -167 | 159.2 | 151.9 | -85.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 361 | A | 34 | Very low | 34 | Very low | 97 Ų | 97 | 135.2 Ų | 135.2 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | trans | -124.6 | 156.1 | -168.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 362 | A | 32.5 | Very low | 34.6 | Very low | 90 Ų | 90 | 133.5 Ų | 133.5 | 74% | 0.744 | 80% | 0.795 | S | S | * | * | trans | 62.4 | 128.8 | 164 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 363 | W | 30.5 | Very low | 34.3 | Very low | 262 Ų | 262 | 136.1 Ų | 136.1 | 99% | 0.992 | 79% | 0.788 | S | S | * | * | -161.3 | 165.1 | 123.9 | -95 | 107.4 | 0 | 0 | 0 | 109 | |||||
| 364 | L | 34.3 | Very low | 34.2 | Very low | 155 Ų | 155 | 134.6 Ų | 134.6 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | trans | -137.5 | 120.2 | -165.8 | 171.9 | 73.9 | 0 | 0 | 0 | 111.2 | ||||
| 365 | S | 31.2 | Very low | 33.9 | Very low | 110 Ų | 110 | 136.9 Ų | 136.9 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | 174.2 | 116.2 | 142.2 | -85.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 366 | K | 32.4 | Very low | 33.6 | Very low | 187 Ų | 187 | 139.7 Ų | 139.7 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | 45.5 | 117.2 | 118.1 | -172.6 | -174.2 | 179 | -178 | 0 | 121.6 | |||||
| 367 | Q | 31.6 | Very low | 33.4 | Very low | 167 Ų | 167 | 141.2 Ų | 141.2 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | -149.9 | 156.5 | 129.7 | -90.2 | -169.4 | -33.3 | 0 | 0 | 108.1 | |||||
| 368 | Q | 31.2 | Very low | 33.2 | Very low | 119 Ų | 119 | 140.8 Ų | 140.8 | 56% | 0.556 | 77% | 0.772 | S | S | * | * | cis | -117 | -132.8 | 1.4 | -153.1 | 66.3 | -89.1 | 0 | 0 | 107.9 | ||||
| 369 | Q | 34.8 | Very low | 34.2 | Very low | 172 Ų | 172 | 142.6 Ų | 142.6 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | cis | -150.5 | -174.3 | -22.3 | -153.7 | 143.8 | -42.1 | 0 | 0 | 109.3 | ||||
| 370 | Q | 33.3 | Very low | 33.9 | Very low | 154 Ų | 154 | 142 Ų | 142 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | trans | -142.8 | 163.7 | 175 | -69.1 | -177.2 | -19.7 | 0 | 0 | 111 | ||||
| 371 | P | 41.4 | Very low | 33.8 | Very low | 130 Ų | 130 | 139.5 Ų | 139.5 | 84% | 0.844 | 77% | 0.766 | S | S | * | * | -115.9 | 167.8 | 105.4 | -7.9 | 27.6 | 0 | 0 | 0 | 114 | |||||
| 372 | P | 48.9 | Very low | 33.7 | Very low | 86 Ų | 86 | 140.7 Ų | 140.7 | 56% | 0.558 | 77% | 0.769 | S | S | * | * | trans | -135 | 171 | -145.4 | 44.9 | -30.2 | 0 | 0 | 0 | 118.4 | ||||
| 373 | Q | 31.6 | Very low | 33.6 | Very low | 162 Ų | 162 | 143.4 Ų | 143.4 | 76% | 0.757 | 77% | 0.771 | S | S | * | * | trans | 73.2 | 136.9 | 159.9 | -50.4 | -130.3 | 21.3 | 0 | 0 | 115.6 | ||||
| 374 | Q | 30.2 | Very low | 34.6 | Very low | 145 Ų | 145 | 135.9 Ų | 135.9 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | cis | -163.2 | 177.8 | 17.8 | -127.1 | 177 | 40.4 | 0 | 0 | 109.8 | ||||
| 375 | H | 28.5 | Very low | 34.4 | Very low | 138 Ų | 138 | 133.8 Ų | 133.8 | 64% | 0.639 | 75% | 0.754 | S | S | * | * | cis | -152.2 | -47.5 | -0.6 | -151 | -15.5 | 0 | 0 | 0 | 118.2 | ||||
| 376 | H | 29 | Very low | 34.4 | Very low | 148 Ų | 148 | 138 Ų | 138 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | trans | -141.1 | 144.9 | -156.1 | -63.4 | -49.5 | 0 | 0 | 0 | 118.6 | ||||
| 377 | S | 29.5 | Very low | 34.5 | Very low | 117 Ų | 117 | 133.2 Ų | 133.2 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | trans | 58.7 | 120.4 | 145.8 | 60.2 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 378 | S | 30.6 | Very low | 34.5 | Very low | 115 Ų | 115 | 133.1 Ų | 133.1 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | -84.3 | 179.8 | 148.6 | -41.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 379 | P | 50.2 | Low | 34.6 | Very low | 116 Ų | 116 | 133.9 Ų | 133.9 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | cis | -140.3 | -176.2 | 6.3 | 44.8 | -26.7 | 0 | 0 | 0 | 116.9 | ||||
| 380 | L | 33.4 | Very low | 34.6 | Very low | 181 Ų | 181 | 133.5 Ų | 133.5 | 95% | 0.948 | 76% | 0.755 | S | S | * | * | trans | 44.8 | 117.4 | 146.1 | -165.8 | 72.9 | 0 | 0 | 0 | 120.2 | ||||
| 381 | G | 30.1 | Very low | 34.7 | Very low | 79 Ų | 79 | 131.1 Ų | 131.1 | 81% | 0.814 | 76% | 0.756 | S | S | * | * | trans | -170.3 | 160.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 382 | S | 32 | Very low | 34.3 | Very low | 122 Ų | 122 | 131.9 Ų | 131.9 | 85% | 0.853 | 75% | 0.748 | S | S | * | * | trans | -107.1 | 175 | -178.4 | 58.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 383 | D | 31.8 | Very low | 33.6 | Very low | 147 Ų | 147 | 132.2 Ų | 132.2 | 79% | 0.786 | 76% | 0.758 | S | S | * | * | trans | -33.7 | 162.9 | 160 | -105.3 | -49.6 | 0 | 0 | 0 | 116.2 | ||||
| 384 | P | 50.3 | Low | 33.6 | Very low | 103 Ų | 103 | 128.2 Ų | 128.2 | 67% | 0.669 | 76% | 0.76 | S | S | * | * | cis | -143.7 | -170.6 | 6.9 | 36.7 | -14.2 | 0 | 0 | 0 | 117.6 | ||||
| 385 | S | 29.7 | Very low | 33.5 | Very low | 111 Ų | 111 | 125.2 Ų | 125.2 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | trans | 79.2 | 163.1 | 153.8 | -58.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 386 | K | 31.3 | Very low | 33.7 | Very low | 199 Ų | 199 | 124.9 Ų | 124.9 | 87% | 0.865 | 78% | 0.781 | S | S | * | * | cis | -178.4 | 109.1 | -33.6 | 174.7 | -172.2 | 173.4 | -178.7 | 0 | 110.3 | ||||
| 387 | A | 35.1 | Very low | 33.8 | Very low | 87 Ų | 87 | 121.2 Ų | 121.2 | 72% | 0.719 | 78% | 0.784 | S | S | * | * | trans | -169.9 | 148.1 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 388 | Q | 31.9 | Very low | 33.9 | Very low | 164 Ų | 164 | 121.5 Ų | 121.5 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | cis | -156.9 | 146.9 | -3 | -126.8 | 171 | -105.4 | 0 | 0 | 110.5 | ||||
| 389 | I | 33.5 | Very low | 33.9 | Very low | 136 Ų | 136 | 124.4 Ų | 124.4 | 70% | 0.697 | 79% | 0.787 | S | S | * | * | trans | 64.5 | 108.5 | 156.1 | -65.4 | 162.1 | 0 | 0 | 0 | 115.7 | ||||
| 390 | K | 34.8 | Very low | 33 | Very low | 163 Ų | 163 | 129 Ų | 129 | 71% | 0.709 | 80% | 0.795 | S | S | * | * | 69.6 | 125.5 | 59.4 | -161.5 | 168.7 | 73.2 | 160.6 | 0 | 110.7 | E392 | K390-E392 WeakPolarHBondContact CG-OE1 3.4Š| |||
| 391 | S | 34.6 | Very low | 33.1 | Very low | 105 Ų | 105 | 123.4 Ų | 123.4 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | cis | -106.7 | -145.6 | 40.5 | -90.2 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 392 | E | 33 | Very low | 33.1 | Very low | 145 Ų | 145 | 128.3 Ų | 128.3 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | trans | -143.5 | 169.2 | -156 | 38.8 | -102.4 | 118.6 | 0 | 0 | 107.4 | K390 | K390-E392 WeakPolarHBondContact CG-OE1 3.4Š| ||
| 393 | A | 33.8 | Very low | 33.1 | Very low | 93 Ų | 93 | 126.6 Ų | 126.6 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | cis | -144.1 | -174.1 | 27.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 394 | G | 31.5 | Very low | 33.3 | Very low | 78 Ų | 78 | 124.7 Ų | 124.7 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | cis | 93.4 | 127.3 | 14.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 395 | G | 29 | Very low | 32.5 | Very low | 82 Ų | 82 | 125 Ų | 125 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | cis | -166.8 | -174.6 | 1.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 396 | S | 33.3 | Very low | 32.8 | Very low | 131 Ų | 131 | 126.1 Ų | 126.1 | 92% | 0.916 | 78% | 0.781 | S | S | * | * | trans | -86.5 | 141.7 | -170.6 | -176.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 397 | G | 31.2 | Very low | 32.9 | Very low | 72 Ų | 72 | 119.9 Ų | 119.9 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | trans | 103.1 | 119.3 | 135.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 398 | S | 29.7 | Very low | 32.9 | Very low | 123 Ų | 123 | 120.6 Ų | 120.6 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | trans | -160.4 | 171.2 | 144.4 | -162.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 399 | H | 32.4 | Very low | 33.1 | Very low | 176 Ų | 176 | 121.6 Ų | 121.6 | 82% | 0.815 | 78% | 0.783 | S | S | * | * | trans | -102.8 | 159.3 | -167.4 | -59.2 | -119.3 | 0 | 0 | 0 | 113.9 | ||||
| 400 | F | 29.3 | Very low | 33.1 | Very low | 212 Ų | 212 | 120.7 Ų | 120.7 | 93% | 0.93 | 78% | 0.784 | S | S | * | * | trans | 69.1 | 134.5 | 148.1 | -134.8 | -112.6 | 0 | 0 | 0 | 117.3 | ||||
| 401 | A | 36.6 | Very low | 33.1 | Very low | 64 Ų | 64 | 118.2 Ų | 118.2 | 53% | 0.529 | 78% | 0.783 | S | S | . | * | cis | -163.8 | -170.2 | -6.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 402 | E | 29.2 | Very low | 32.9 | Very low | 181 Ų | 181 | 123.8 Ų | 123.8 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | trans | 93.9 | 139.8 | 157.6 | -140.7 | 73.2 | 164.9 | 0 | 0 | 120.5 | ||||
| 403 | A | 33.2 | Very low | 33.8 | Very low | 87 Ų | 87 | 122.7 Ų | 122.7 | 72% | 0.719 | 79% | 0.792 | S | S | * | * | trans | 65.5 | 81.8 | 157.9 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 404 | A | 34.9 | Very low | 34.2 | Very low | 106 Ų | 106 | 123.8 Ų | 123.8 | 88% | 0.876 | 79% | 0.792 | S | S | * | * | trans | 49.7 | 125.5 | 130.2 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 405 | S | 35.3 | Very low | 34.4 | Very low | 110 Ų | 110 | 128.2 Ų | 128.2 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -80.4 | 173.6 | 163.8 | -150.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 406 | V | 34.7 | Very low | 35.1 | Very low | 135 Ų | 135 | 129.7 Ų | 129.7 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | cis | -147.1 | 143.8 | 29.7 | -175.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 407 | G | 32.9 | Very low | 35.4 | Very low | 67 Ų | 67 | 131.2 Ų | 131.2 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | trans | -108.7 | 161.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 408 | A | 36.7 | Very low | 36 | Very low | 102 Ų | 102 | 133.1 Ų | 133.1 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | trans | -93.1 | 164.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 409 | H | 36 | Very low | 36.2 | Very low | 186 Ų | 186 | 136.7 Ų | 136.7 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | trans | -143.1 | 159.1 | 163.7 | 57.7 | -88.5 | 0 | 0 | 0 | 110.8 | ||||
| 410 | V | 33.9 | Very low | 36.3 | Very low | 116 Ų | 116 | 139.5 Ų | 139.5 | 70% | 0.703 | 80% | 0.797 | S | S | * | * | trans | -142.5 | 141.8 | -150.8 | 175.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 411 | T | 34.2 | Very low | 36.3 | Very low | 112 Ų | 112 | 134.4 Ų | 134.4 | 69% | 0.687 | 79% | 0.788 | S | S | * | * | trans | 63.9 | 148.2 | 170 | 45.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 412 | Y | 30.9 | Very low | 36.2 | Very low | 222 Ų | 222 | 137.1 Ų | 137.1 | 87% | 0.871 | 80% | 0.803 | S | S | * | * | cis | -135.7 | 158.6 | 38.8 | -101 | -100.3 | 0 | 0 | 0 | 115.9 | ||||
| 413 | T | 50.4 | Low | 36.5 | Very low | 122 Ų | 122 | 132.3 Ų | 132.3 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | -97.6 | 164.7 | 172.9 | 29.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 414 | P | 43.8 | Very low | 36.6 | Very low | 116 Ų | 116 | 138 Ų | 138 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | -148.3 | 147.2 | 105.8 | 37.1 | -21.1 | 0 | 0 | 0 | 117.2 | |||||
| 415 | L | 34.2 | Very low | 37.4 | Very low | 171 Ų | 171 | 139.1 Ų | 139.1 | 90% | 0.895 | 80% | 0.801 | S | S | * | * | trans | 60.1 | 148.8 | 152.8 | -90.2 | 60.5 | 0 | 0 | 0 | 121.4 | ||||
| 416 | S | 44 | Very low | 37.3 | Very low | 112 Ų | 112 | 139.5 Ų | 139.5 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | trans | -153.6 | 148.2 | -176.7 | -52.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 417 | L | 39 | Very low | 37.3 | Very low | 164 Ų | 164 | 141.5 Ų | 141.5 | 86% | 0.859 | 81% | 0.809 | S | S | * | * | trans | 154.7 | 159.8 | 144.2 | -106.6 | 67.9 | 0 | 0 | 0 | 110.2 | ||||
| 418 | P | 45 | Very low | 37.5 | Very low | 112 Ų | 112 | 142.5 Ų | 142.5 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | cis | -122.6 | 156.8 | -34.4 | 35.1 | -21.5 | 0 | 0 | 0 | 112 | ||||
| 419 | H | 33.1 | Very low | 37.4 | Very low | 197 Ų | 197 | 143.3 Ų | 143.3 | 91% | 0.912 | 81% | 0.811 | S | S | * | * | trans | -110.2 | 146.2 | 162.3 | -85.9 | -65.6 | 0 | 0 | 0 | 110.8 | ||||
| 420 | Y | 34.3 | Very low | 37.1 | Very low | 235 Ų | 235 | 145.2 Ų | 145.2 | 92% | 0.922 | 81% | 0.81 | S | S | * | * | trans | -69.7 | 150.1 | -178 | -139.7 | -101.7 | 0 | 0 | 0 | 111.5 | ||||
| 421 | S | 30.9 | Very low | 37.3 | Very low | 106 Ų | 106 | 143.9 Ų | 143.9 | 74% | 0.741 | 81% | 0.812 | S | S | * | * | trans | -80.2 | 142 | -171.8 | -170.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 422 | S | 34 | Very low | 37.4 | Very low | 120 Ų | 120 | 146.5 Ų | 146.5 | 84% | 0.839 | 82% | 0.816 | S | S | * | * | trans | -121.8 | 135.5 | 155.3 | 60 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 423 | A | 35.9 | Very low | 37.5 | Very low | 80 Ų | 80 | 144.7 Ų | 144.7 | 66% | 0.661 | 81% | 0.813 | S | S | * | * | trans | -133.3 | 118.9 | -168.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 424 | F | 35 | Very low | 36.7 | Very low | 207 Ų | 207 | 142.5 Ų | 142.5 | 91% | 0.908 | 81% | 0.807 | S | S | * | * | trans | -136.3 | 112.8 | 161.4 | -79.6 | -73.1 | 0 | 0 | 0 | 108.3 | ||||
| 425 | P | 50.4 | Low | 36 | Very low | 129 Ų | 129 | 144.5 Ų | 144.5 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | trans | -84.1 | 138.2 | 169.5 | 32.7 | -31 | 0 | 0 | 0 | 110.5 | ||||
| 426 | S | 33.9 | Very low | 35.9 | Very low | 118 Ų | 118 | 146.5 Ų | 146.5 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | -111.2 | 131.8 | 165.6 | 179.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 427 | L | 34.3 | Very low | 35.6 | Very low | 177 Ų | 177 | 145.2 Ų | 145.2 | 93% | 0.927 | 80% | 0.8 | S | S | * | * | trans | -142.8 | 135.6 | 166.6 | -93.1 | 174.4 | 0 | 0 | 0 | 109.3 | ||||
| 428 | A | 36.7 | Very low | 35.2 | Very low | 89 Ų | 89 | 144.1 Ų | 144.1 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | trans | -106.2 | 157.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 429 | S | 35.8 | Very low | 34.9 | Very low | 119 Ų | 119 | 146.3 Ų | 146.3 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | -173.5 | 131.4 | 145.5 | -91.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 430 | R | 29.2 | Very low | 35.2 | Very low | 226 Ų | 226 | 145 Ų | 145 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | 76.7 | 147.3 | 140.3 | -156 | 168 | -172.7 | 142.1 | 1.7 | 119.4 | ||||
| 431 | A | 38.4 | Very low | 35.7 | Very low | 88 Ų | 88 | 138.9 Ų | 138.9 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | -138.7 | 154.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 432 | Q | 35.8 | Very low | 36.2 | Very low | 166 Ų | 166 | 139.3 Ų | 139.3 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | 179.3 | 153.5 | 166.8 | -98.6 | 159.2 | -106.8 | 0 | 0 | 107.6 | ||||
| 433 | F | 33 | Very low | 36 | Very low | 185 Ų | 185 | 136.7 Ų | 136.7 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | cis | -170.1 | 158.9 | -29.8 | -172.6 | -102.5 | 0 | 0 | 0 | 108.4 | ||||
| 434 | A | 34.9 | Very low | 36.3 | Very low | 76 Ų | 76 | 138.9 Ų | 138.9 | 63% | 0.628 | 78% | 0.779 | S | S | * | * | trans | 64.2 | 162.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 435 | E | 28.9 | Very low | 36.3 | Very low | 157 Ų | 157 | 138.1 Ų | 138.1 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | cis | -167.8 | 177.3 | -26.6 | -172 | 164 | 137.3 | 0 | 0 | 108.4 | ||||
| 436 | Y | 31 | Very low | 35.5 | Very low | 213 Ų | 213 | 140.6 Ų | 140.6 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | trans | 71 | 157.1 | 178.9 | -81.4 | -97.9 | 0 | 0 | 0 | 118.4 | ||||
| 437 | A | 37.7 | Very low | 35.5 | Very low | 85 Ų | 85 | 137.9 Ų | 137.9 | 70% | 0.702 | 76% | 0.756 | S | S | * | * | -174 | 153.4 | -70.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 438 | D | 31.7 | Very low | 35.5 | Very low | 141 Ų | 141 | 136.8 Ų | 136.8 | 75% | 0.754 | 75% | 0.746 | S | S | * | * | trans | 82.6 | 157.3 | 149.3 | -133.5 | -20.8 | 0 | 0 | 0 | 122.4 | ||||
| 439 | H | 37 | Very low | 35.6 | Very low | 159 Ų | 159 | 137.8 Ų | 137.8 | 74% | 0.736 | 75% | 0.747 | S | S | * | * | trans | 81.2 | 77.8 | 161.6 | -57.2 | -14.9 | 0 | 0 | 0 | 120.8 | ||||
| 440 | Q | 40.3 | Very low | 35.5 | Very low | 168 Ų | 168 | 135.7 Ų | 135.7 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | trans | -59.3 | 158.4 | 130.2 | -88.9 | -78.2 | -32.6 | 0 | 0 | 110.1 | ||||
| 441 | P | 44.6 | Very low | 35.9 | Very low | 107 Ų | 107 | 134.2 Ų | 134.2 | 70% | 0.695 | 75% | 0.747 | S | S | * | * | -158.4 | 164.1 | 60.9 | 42.6 | -21 | 0 | 0 | 0 | 120.9 | |||||
| 442 | S | 42.8 | Very low | 35.8 | Very low | 115 Ų | 115 | 134.1 Ų | 134.1 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | trans | 66.5 | 148.8 | 145.2 | -65.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 443 | G | 29.7 | Very low | 35.9 | Very low | 66 Ų | 66 | 132.1 Ų | 132.1 | 68% | 0.68 | 75% | 0.751 | S | S | * | * | cis | 179 | 157.1 | -5.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 444 | T | 40.5 | Very low | 36.2 | Very low | 125 Ų | 125 | 126.6 Ų | 126.6 | 77% | 0.767 | 75% | 0.747 | S | S | * | * | trans | 6.9 | 131.3 | 147 | -30.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 445 | Y | 34.8 | Very low | 36.8 | Very low | 191 Ų | 191 | 131.5 Ų | 131.5 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | -179.9 | 156.3 | 101.1 | -119.4 | -78.5 | 0 | 0 | 0 | 118 | |||||
| 446 | Y | 34.4 | Very low | 37.2 | Very low | 181 Ų | 181 | 134.6 Ų | 134.6 | 71% | 0.71 | 77% | 0.768 | S | S | * | * | trans | 76.3 | 145.3 | 152.7 | -96 | -63.3 | 0 | 0 | 0 | 122.3 | H448 | Y446-H448 AromaticContact CD1-CD2 3.94Å; Y446-H448 AromaticContact CD1-NE2 3.34Å; Y446-H448 VanDerWaalsContact CD1-NE2 3.34Å; Y446-H448 WeakPolarHBondContact CD1-NE2 3.5Å; Y446-H448 AromaticContact CE1-CE1 3.84Å; Y446-H448 AromaticContact CE1-NE2 3.35Å; Y446-H448 WeakPolarHBondContact CE1-NE2 3.47Å | ||
| 447 | G | 34.4 | Very low | 37.6 | Very low | 62 Ų | 62 | 128.5 Ų | 128.5 | 64% | 0.639 | 76% | 0.756 | S | S | * | * | trans | -164.6 | 148.5 | 169 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 448 | H | 35 | Very low | 37.4 | Very low | 153 Ų | 153 | 129.1 Ų | 129.1 | 71% | 0.708 | 76% | 0.761 | S | S | * | * | trans | -151.8 | 118.9 | -179.1 | -70.3 | -68.2 | 0 | 0 | 0 | 106.5 | Y446 | Y446-H448 AromaticContact CD1-CD2 3.94Å; Y446-H448 AromaticContact CD1-NE2 3.34Å; Y446-H448 VanDerWaalsContact CD1-NE2 3.34Å; Y446-H448 WeakPolarHBondContact CD1-NE2 3.5Å; Y446-H448 AromaticContact CE1-CE1 3.84Å; Y446-H448 AromaticContact CE1-NE2 3.35Å; Y446-H448 WeakPolarHBondContact CE1-NE2 3.47Å | ||
| 449 | S | 37.3 | Very low | 37.6 | Very low | 110 Ų | 110 | 130.9 Ų | 130.9 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | 80.4 | 103 | 67.1 | 76.5 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 450 | G | 35.1 | Very low | 37.6 | Very low | 75 Ų | 75 | 129.6 Ų | 129.6 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | 113.7 | 154.5 | 133.6 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 451 | Q | 36.3 | Very low | 37.6 | Very low | 195 Ų | 195 | 130.6 Ų | 130.6 | 91% | 0.911 | 77% | 0.769 | S | S | * | * | trans | 75.6 | 158.2 | 159.9 | -68.9 | -70 | 11.8 | 0 | 0 | 120.7 | ||||
| 452 | A | 37.1 | Very low | 37.5 | Very low | 86 Ų | 86 | 134.1 Ų | 134.1 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | trans | -145.6 | 159.2 | -167.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 453 | S | 37.3 | Very low | 37.1 | Very low | 124 Ų | 124 | 131 Ų | 131 | 87% | 0.867 | 76% | 0.764 | S | S | * | * | trans | -178.1 | 142.6 | 156.9 | -81.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 454 | G | 40.3 | Very low | 38.1 | Very low | 70 Ų | 70 | 133.7 Ų | 133.7 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | cis | 112.7 | 68.6 | -7.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 455 | L | 47.7 | Very low | 37.8 | Very low | 178 Ų | 178 | 133.2 Ų | 133.2 | 93% | 0.932 | 77% | 0.772 | S | S | * | * | trans | -136.7 | 135.6 | 167.4 | -75.1 | 178.6 | 0 | 0 | 0 | 112.9 | ||||
| 456 | Y | 37.5 | Very low | 37.9 | Very low | 223 Ų | 223 | 132.9 Ų | 132.9 | 88% | 0.875 | 78% | 0.777 | S | S | * | * | trans | -67.9 | 177 | 165.8 | -99.6 | -139.8 | 0 | 0 | 0 | 111.4 | ||||
| 457 | S | 37.6 | Very low | 38.1 | Very low | 84 Ų | 84 | 133.7 Ų | 133.7 | 59% | 0.587 | 78% | 0.779 | S | S | * | * | cis | 174.8 | 152.3 | -22.9 | 174.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 458 | A | 34.2 | Very low | 38.5 | Very low | 98 Ų | 98 | 136.9 Ų | 136.9 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | trans | -147.7 | 125.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 459 | F | 36.5 | Very low | 38.6 | Very low | 179 Ų | 179 | 136 Ų | 136 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | -82.9 | 150.2 | 177 | -90.8 | -118.1 | 0 | 0 | 0 | 112 | ||||
| 460 | S | 37.2 | Very low | 38.5 | Very low | 131 Ų | 131 | 140.9 Ų | 140.9 | 92% | 0.916 | 79% | 0.791 | S | S | * | * | trans | -160.3 | 80.2 | 142.1 | -83.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 461 | Y | 39.2 | Very low | 38.5 | Very low | 190 Ų | 190 | 142.2 Ų | 142.2 | 75% | 0.745 | 78% | 0.784 | S | S | * | * | trans | -104.6 | 123.8 | 162.8 | 178.7 | -88.2 | 0 | 0 | 0 | 107.9 | ||||
| 462 | M | 42.2 | Very low | 38.5 | Very low | 181 Ų | 181 | 136.6 Ų | 136.6 | 89% | 0.892 | 77% | 0.771 | S | S | * | * | trans | -136.9 | 131.2 | 166.3 | -90.1 | -67.9 | 106.5 | 0 | 0 | 109.5 | ||||
| 463 | G | 35.2 | Very low | 38.4 | Very low | 48 Ų | 48 | 140.5 Ų | 140.5 | 50% | 0.495 | 78% | 0.778 | S | S | . | * | trans | -87.3 | -176.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 464 | P | 50.3 | Low | 38.3 | Very low | 123 Ų | 123 | 141 Ų | 141 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | trans | -92 | 174.3 | -168.3 | 36.7 | -37.1 | 0 | 0 | 0 | 114.8 | ||||
| 465 | S | 34.8 | Very low | 37.9 | Very low | 116 Ų | 116 | 144.5 Ų | 144.5 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | trans | 84.8 | 120.3 | 165.9 | 79.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 466 | Q | 36.3 | Very low | 38.1 | Very low | 184 Ų | 184 | 140.2 Ų | 140.2 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | trans | -153.9 | 148.4 | 136.8 | -97.7 | -62.2 | 3.2 | 0 | 0 | 107.6 | ||||
| 467 | R | 38.2 | Very low | 37.8 | Very low | 197 Ų | 197 | 135.6 Ų | 135.6 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | trans | -108.3 | 157.8 | 171.7 | -86.1 | -170.2 | 179.6 | -176.1 | 0.4 | 109.8 | ||||
| 468 | P | 43.3 | Very low | 37.7 | Very low | 130 Ų | 130 | 137.5 Ų | 137.5 | 84% | 0.844 | 77% | 0.77 | S | S | * | * | trans | -103 | 166.3 | 134.6 | -17 | 33.8 | 0 | 0 | 0 | 113 | ||||
| 469 | L | 38 | Very low | 37.8 | Very low | 133 Ų | 133 | 137.8 Ų | 137.8 | 70% | 0.696 | 77% | 0.772 | S | S | * | * | trans | -140.2 | 157 | -177.8 | -82 | 170.8 | 0 | 0 | 0 | 111.4 | ||||
| 470 | Y | 33.6 | Very low | 37.6 | Very low | 214 Ų | 214 | 134.3 Ų | 134.3 | 84% | 0.839 | 77% | 0.77 | S | S | * | * | trans | 74.4 | 147.6 | 157.7 | -114.5 | -144.1 | 0 | 0 | 0 | 116.9 | ||||
| 471 | T | 36.4 | Very low | 37.4 | Very low | 102 Ų | 102 | 135.4 Ų | 135.4 | 63% | 0.626 | 76% | 0.761 | S | S | * | * | cis | -155.3 | 161.2 | 10.7 | -28.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 472 | A | 36.1 | Very low | 37 | Very low | 77 Ų | 77 | 132.2 Ų | 132.2 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | trans | 97.7 | 110 | 136.8 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 473 | I | 35.1 | Very low | 36.9 | Very low | 168 Ų | 168 | 130.5 Ų | 130.5 | 86% | 0.862 | 76% | 0.756 | S | S | * | * | trans | 74.6 | 151.1 | 145.5 | -68.5 | 170.3 | 0 | 0 | 0 | 114.3 | ||||
| 474 | T | 35.1 | Very low | 37.2 | Very low | 135 Ų | 135 | 134 Ų | 134 | 83% | 0.828 | 77% | 0.772 | S | S | * | * | cis | -118.7 | -170.7 | 20.1 | 59.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 475 | D | 30.8 | Very low | 36.8 | Very low | 143 Ų | 143 | 134 Ų | 134 | 77% | 0.765 | 77% | 0.773 | S | S | * | * | trans | -139.8 | 171 | 169.8 | -173.6 | 50.5 | 0 | 0 | 0 | 106.8 | ||||
| 476 | P | 51.8 | Low | 37.5 | Very low | 89 Ų | 89 | 135.4 Ų | 135.4 | 58% | 0.578 | 78% | 0.777 | S | S | * | * | cis | -125 | 170.3 | -13.5 | 16.7 | 7.9 | 0 | 0 | 0 | 115.4 | ||||
| 477 | T | 32.6 | Very low | 37.7 | Very low | 125 Ų | 125 | 133.3 Ų | 133.3 | 77% | 0.767 | 77% | 0.767 | S | S | * | * | 163.7 | 136.3 | 112.6 | 38.7 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 478 | S | 34.3 | Very low | 37.7 | Very low | 125 Ų | 125 | 135.9 Ų | 135.9 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | 65.4 | 148 | 168.8 | 79.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 479 | A | 37.6 | Very low | 37.6 | Very low | 104 Ų | 104 | 137 Ų | 137 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | cis | -138.7 | 170.8 | -3.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 480 | S | 31.4 | Very low | 37.7 | Very low | 105 Ų | 105 | 138.8 Ų | 138.8 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | trans | -102.2 | 134.7 | -164.6 | 56.4 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 481 | Q | 34.1 | Very low | 38.7 | Very low | 155 Ų | 155 | 134 Ų | 134 | 72% | 0.724 | 77% | 0.771 | S | S | * | * | trans | 46 | 107 | 136.2 | -57.4 | 179.9 | 10.8 | 0 | 0 | 119.3 | H483 | Q481-H483 PolarHBondContact OE1-NE2 3.32Š| ||
| 482 | S | 29.5 | Very low | 38.9 | Very low | 123 Ų | 123 | 135.6 Ų | 135.6 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | trans | -87.3 | 109.6 | 159.9 | 55.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 483 | H | 40.2 | Very low | 39.1 | Very low | 145 Ų | 145 | 142 Ų | 142 | 67% | 0.671 | 79% | 0.789 | S | S | * | * | trans | -104.6 | 138.1 | 170.6 | -66.5 | -69.9 | 0 | 0 | 0 | 110.9 | Q481 | Q481-H483 PolarHBondContact OE1-NE2 3.32Š| ||
| 484 | S | 41.8 | Very low | 39.8 | Very low | 120 Ų | 120 | 140 Ų | 140 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | trans | -92.8 | 127.8 | 178.6 | -57.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 485 | P | 42.3 | Very low | 40.5 | Very low | 125 Ų | 125 | 140 Ų | 140 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | trans | -92.6 | 127.1 | 164.4 | -6.7 | 26.5 | 0 | 0 | 0 | 111.6 | ||||
| 486 | T | 48.9 | Very low | 41.3 | Very low | 145 Ų | 145 | 141.3 Ų | 141.3 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | trans | -77.6 | 115 | 176.7 | -52.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 487 | H | 40.9 | Very low | 41.2 | Very low | 140 Ų | 140 | 142.6 Ų | 142.6 | 65% | 0.648 | 80% | 0.802 | S | S | * | * | trans | -160 | 121.7 | 161.9 | -173.5 | -122.7 | 0 | 0 | 0 | 111.8 | E489 | H487-E489 IonicContact CE1-OE2 3.48Å; H487-E489 PolarHBondContact CE1-OE2 3.45Å | ||
| 488 | W | 37.8 | Very low | 41.8 | Very low | 250 Ų | 250 | 148 Ų | 148 | 95% | 0.947 | 81% | 0.808 | S | S | * | * | trans | -122.3 | 104.9 | 165.1 | -81.8 | 104.6 | 0 | 0 | 0 | 108.2 | ||||
| 489 | E | 41.9 | Very low | 43 | Very low | 153 Ų | 153 | 151.5 Ų | 151.5 | 72% | 0.715 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 150.8 | 173.3 | -143.6 | 178.1 | 147 | 0 | 0 | 110.9 | H487 | H487-E489 IonicContact CE1-OE2 3.48Å; H487-E489 PolarHBondContact CE1-OE2 3.45Å |
| 490 | Q | 39.3 | Very low | 43.3 | Very low | 171 Ų | 171 | 153.9 Ų | 153.9 | 80% | 0.799 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 136.6 | -178.8 | -61.3 | -175.9 | 18.7 | 0 | 0 | 111 | V492 | Q490-V492 PolarHBondContact O-N 2.71Š|
| 491 | P | 54.4 | Low | 43.9 | Very low | 115 Ų | 115 | 156.4 Ų | 156.4 | 75% | 0.747 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -70 | 121.7 | 176.4 | 28.2 | -33.6 | 0 | 0 | 0 | 111.1 | Y493 | P491-Y493 PolarHBondContact O-N 3.3Š|
| 492 | V | 41.8 | Very low | 44.4 | Very low | 134 Ų | 134 | 156.5 Ų | 156.5 | 81% | 0.812 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 123 | 176.9 | 178.9 | 0 | 0 | 0 | 0 | 110.3 | Q490 | Q490-V492 PolarHBondContact O-N 2.71Š|
| 493 | Y | 39.8 | Very low | 45.3 | Very low | 212 Ų | 212 | 158.5 Ų | 158.5 | 83% | 0.831 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 128.7 | 172.1 | -89.7 | -101.1 | 0 | 0 | 0 | 111.2 | P491 | P491-Y493 PolarHBondContact O-N 3.3Š|
| 494 | T | 50.3 | Low | 45.6 | Very low | 127 Ų | 127 | 159.3 Ų | 159.3 | 78% | 0.779 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 122.8 | 165.8 | 54 | 0 | 0 | 0 | 0 | 110.1 | ||
| 495 | T | 50 | Low | 45.9 | Very low | 134 Ų | 134 | 161.9 Ų | 161.9 | 82% | 0.822 | 85% | 0.846 | S | S | * | * | trans | -95.7 | 104.3 | 178.3 | 53 | 0 | 0 | 0 | 0 | 110.8 | S497 | T495-S497 PolarHBondContact O-N 3.49Š| ||
| 496 | L | 47.5 | Very low | 46.1 | Very low | 170 Ų | 170 | 164.6 Ų | 164.6 | 89% | 0.89 | 85% | 0.849 | S | S | * | * | trans | -78.8 | 113.2 | 169.3 | -92.6 | 160.1 | 0 | 0 | 0 | 110.5 | ||||
| 497 | S | 48.8 | Very low | 45.9 | Very low | 116 Ų | 116 | 166.1 Ų | 166.1 | 81% | 0.811 | 85% | 0.846 | S | S | * | * | trans | -65.7 | 149.1 | 165.8 | -82.2 | 0 | 0 | 0 | 0 | 111.1 | T495 | T495-S497 PolarHBondContact O-N 3.49Š| ||
| 498 | R | 45 | Very low | 46.3 | Very low | 238 Ų | 238 | 168.3 Ų | 168.3 | 90% | 0.898 | 86% | 0.862 | S | S | * | * | trans | -79.5 | 155.2 | 168.8 | -77.9 | -174.7 | 169.8 | -145.4 | -4.1 | 111.3 | ||||
| 499 | P | 59.5 | Low | 47.1 | Very low | 199 Ų | 199 | 160.8 Ų | 160.8 | 100% | 1.292 | 85% | 0.854 | S | S | * | * | trans | -68.7 | 0 | 167.8 | 33.3 | -37.1 | 0 | 0 | 0 | 112 |
Retrieved 499 of 499 residues in 182.6 ms
(Link to these results)