| 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 | 28.4 | Very low | 33 | Very low | 249 Ų | 249 | 158.7 Ų | 158.7 | 100% | 1.227 | 85% | 0.849 | S | S | * | * | 0 | -173.7 | 0 | -80.4 | 174.3 | 159.4 | 0 | 0 | 109 | |||||
| 2 | N | 30.4 | Very low | 32.8 | Very low | 163 Ų | 163 | 159.6 Ų | 159.6 | 87% | 0.872 | 84% | 0.84 | S | S | * | * | trans | -62.8 | 157.9 | -142.5 | -99.8 | -33.1 | 0 | 0 | 0 | 120.4 | ||||
| 3 | L | 37.3 | Very low | 32.6 | Very low | 154 Ų | 154 | 164 Ų | 164 | 81% | 0.806 | 84% | 0.838 | S | S | * | * | trans | -91.2 | 156 | 173.7 | -55.6 | 128.3 | 0 | 0 | 0 | 111.8 | ||||
| 4 | Q | 31.1 | Very low | 32.5 | Very low | 197 Ų | 197 | 165.7 Ų | 165.7 | 92% | 0.921 | 84% | 0.837 | S | S | * | * | trans | -177.7 | 158 | 141 | -108.2 | 163.3 | -12.2 | 0 | 0 | 110.2 | ||||
| 5 | A | 29.5 | Very low | 32.1 | Very low | 95 Ų | 95 | 171.1 Ų | 171.1 | 79% | 0.785 | 84% | 0.843 | S | S | * | * | cis | -146.4 | -165 | 0.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 6 | Q | 33.2 | Very low | 31.9 | Very low | 185 Ų | 185 | 168.1 Ų | 168.1 | 86% | 0.864 | 84% | 0.842 | S | S | * | * | trans | -105 | 170.9 | -167.2 | -87.7 | -89.3 | -56.6 | 0 | 0 | 115.1 | ||||
| 7 | P | 51.1 | Low | 32.8 | Very low | 108 Ų | 108 | 164.9 Ų | 164.9 | 70% | 0.701 | 84% | 0.836 | S | S | * | * | trans | -98.7 | -169.5 | -173.2 | 40.7 | -35.8 | 0 | 0 | 0 | 114.7 | ||||
| 8 | K | 30.4 | Very low | 32.4 | Very low | 216 Ų | 216 | 167.6 Ų | 167.6 | 94% | 0.939 | 84% | 0.842 | S | S | * | * | trans | -136.8 | 168.7 | 174 | -111.2 | 177.1 | -179.6 | 177 | 0 | 113.4 | ||||
| 9 | A | 30.4 | Very low | 32.2 | Very low | 105 Ų | 105 | 161.9 Ų | 161.9 | 87% | 0.868 | 83% | 0.83 | S | S | * | * | trans | -104.9 | -175.5 | -156.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 10 | Q | 31.3 | Very low | 32.1 | Very low | 159 Ų | 159 | 161 Ų | 161 | 74% | 0.743 | 83% | 0.827 | S | S | * | * | trans | -94.6 | 179.3 | -167.5 | -61.3 | -178.9 | -18 | 0 | 0 | 115.8 | ||||
| 11 | N | 29.2 | Very low | 32 | Very low | 115 Ų | 115 | 160.7 Ų | 160.7 | 62% | 0.615 | 82% | 0.822 | S | S | * | * | trans | 90.2 | 147.2 | 150 | -65.5 | -51.7 | 0 | 0 | 0 | 117.9 | ||||
| 12 | K | 30.7 | Very low | 32.1 | Very low | 169 Ų | 169 | 155.5 Ų | 155.5 | 74% | 0.735 | 80% | 0.799 | S | S | * | * | cis | -177.6 | 174.8 | -29.7 | -121.5 | -179.6 | -154.2 | 140 | 0 | 108.3 | ||||
| 13 | R | 31 | Very low | 33 | Very low | 217 Ų | 217 | 153.3 Ų | 153.3 | 82% | 0.819 | 79% | 0.794 | S | S | * | * | trans | 72.5 | 154.1 | 168.9 | -65.2 | 172.8 | 171.7 | 176.9 | -2.3 | 114.3 | ||||
| 14 | K | 30.7 | Very low | 32.6 | Very low | 188 Ų | 188 | 151 Ų | 151 | 82% | 0.817 | 80% | 0.797 | S | S | * | * | cis | -154.3 | 155.5 | -4.7 | -124.8 | 170.8 | -178.9 | -169.1 | 0 | 109 | ||||
| 15 | R | 26.5 | Very low | 32.5 | Very low | 246 Ų | 246 | 147 Ų | 147 | 93% | 0.928 | 79% | 0.791 | S | S | * | * | trans | -149.9 | 125.9 | 163.8 | -165 | -175.3 | -161.5 | -157.5 | 6.3 | 110.3 | ||||
| 16 | C | 29 | Very low | 32.5 | Very low | 124 Ų | 124 | 151 Ų | 151 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | trans | -176.3 | 166.3 | 168.9 | -93.8 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 17 | P | 47.2 | Very low | 32.3 | Very low | 114 Ų | 114 | 148.6 Ų | 148.6 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | -116 | -166.2 | -73.4 | 37 | -19.8 | 0 | 0 | 0 | 109.5 | |||||
| 18 | F | 26.5 | Very low | 31.5 | Very low | 213 Ų | 213 | 151.2 Ų | 151.2 | 93% | 0.934 | 78% | 0.782 | S | S | * | * | trans | -165.9 | 160.5 | 147.9 | -107.9 | -65.7 | 0 | 0 | 0 | 111.4 | ||||
| 19 | G | 27.1 | Very low | 31.6 | Very low | 60 Ų | 60 | 146.8 Ų | 146.8 | 62% | 0.619 | 78% | 0.776 | S | S | * | * | trans | -165.5 | 174.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 20 | D | 30.7 | Very low | 32.2 | Very low | 142 Ų | 142 | 146.6 Ų | 146.6 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | trans | 70.7 | 117 | 171.8 | -82.6 | -56.6 | 0 | 0 | 0 | 122.1 | ||||
| 21 | Q | 29.5 | Very low | 33 | Very low | 156 Ų | 156 | 144 Ų | 144 | 73% | 0.729 | 76% | 0.762 | S | S | * | * | trans | 67.4 | 130.1 | 132.3 | -80.3 | 171.8 | 95.6 | 0 | 0 | 124.7 | ||||
| 22 | D | 30.7 | Very low | 33.1 | Very low | 139 Ų | 139 | 145.5 Ų | 145.5 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | trans | 93.7 | 151.8 | 132 | -77.5 | 13 | 0 | 0 | 0 | 123.5 | ||||
| 23 | P | 50.6 | Low | 32.9 | Very low | 117 Ų | 117 | 146.5 Ų | 146.5 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | trans | -127.6 | 165.5 | -144.9 | 43 | -29.3 | 0 | 0 | 0 | 116.3 | ||||
| 24 | A | 27.6 | Very low | 32.9 | Very low | 107 Ų | 107 | 140.7 Ų | 140.7 | 88% | 0.884 | 77% | 0.772 | S | S | * | * | trans | -158.6 | 159.2 | 150.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 25 | S | 30.3 | Very low | 33.4 | Very low | 112 Ų | 112 | 137.4 Ų | 137.4 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | trans | -109.7 | 149 | -175.9 | 55.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 26 | K | 29.8 | Very low | 34.6 | Very low | 179 Ų | 179 | 130 Ų | 130 | 78% | 0.778 | 75% | 0.754 | S | S | * | * | trans | -161.7 | 145.2 | 144.8 | -113.7 | 176.6 | 171.1 | -92.9 | 0 | 114.8 | ||||
| 27 | E | 28.8 | Very low | 34.7 | Very low | 135 Ų | 135 | 132.8 Ų | 132.8 | 63% | 0.631 | 76% | 0.755 | S | S | * | * | trans | 35.7 | 111.6 | 154.5 | -73.9 | 146.4 | 142.4 | 0 | 0 | 123.5 | ||||
| 28 | Q | 33.3 | Very low | 33.9 | Very low | 162 Ų | 162 | 132.1 Ų | 132.1 | 76% | 0.757 | 75% | 0.753 | S | S | * | * | 60.3 | 132 | 107.6 | -157.7 | -174.3 | 23.3 | 0 | 0 | 121.7 | |||||
| 29 | P | 33.8 | Very low | 34.1 | Very low | 124 Ų | 124 | 129 Ų | 129 | 81% | 0.805 | 75% | 0.745 | S | S | * | * | trans | -135.3 | 137.8 | 149.7 | 37.7 | -24.1 | 0 | 0 | 0 | 115.6 | ||||
| 30 | P | 42 | Very low | 34.1 | Very low | 101 Ų | 101 | 138.2 Ų | 138.2 | 66% | 0.656 | 76% | 0.761 | S | S | * | * | trans | -132.1 | -178.8 | 142.4 | 39.4 | -27.5 | 0 | 0 | 0 | 110.9 | ||||
| 31 | P | 49.1 | Very low | 34.3 | Very low | 104 Ų | 104 | 135.3 Ų | 135.3 | 68% | 0.675 | 76% | 0.757 | S | S | * | * | cis | -131 | -175.8 | -40.8 | 37.9 | -21.5 | 0 | 0 | 0 | 113.2 | ||||
| 32 | L | 29.7 | Very low | 34.4 | Very low | 146 Ų | 146 | 135.3 Ų | 135.3 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | trans | 65.7 | 126.5 | 152.9 | -72.9 | 163.4 | 0 | 0 | 0 | 122.9 | ||||
| 33 | K | 27.1 | Very low | 34.2 | Very low | 190 Ų | 190 | 134.8 Ų | 134.8 | 83% | 0.826 | 75% | 0.748 | S | S | * | * | trans | 41 | 116.4 | 143.1 | -65.3 | -177.7 | 176.8 | -178.9 | 0 | 122.1 | ||||
| 34 | A | 31 | Very low | 33.1 | Very low | 96 Ų | 96 | 137 Ų | 137 | 79% | 0.793 | 75% | 0.748 | S | S | * | * | 27.6 | 158.2 | 125.8 | 0 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 35 | P | 42.2 | Very low | 33 | Very low | 118 Ų | 118 | 139.9 Ų | 139.9 | 77% | 0.766 | 74% | 0.743 | S | S | * | * | cis | -142.1 | -134.1 | 24.2 | 43.9 | -20.8 | 0 | 0 | 0 | 112 | ||||
| 36 | P | 51.8 | Low | 32.8 | Very low | 91 Ų | 91 | 144.2 Ų | 144.2 | 59% | 0.591 | 74% | 0.744 | S | S | * | * | cis | -133.2 | -179.3 | -32.3 | 39.6 | -22.6 | 0 | 0 | 0 | 116.1 | ||||
| 37 | Q | 31 | Very low | 32.6 | Very low | 182 Ų | 182 | 143.7 Ų | 143.7 | 85% | 0.85 | 74% | 0.744 | S | S | * | * | trans | 70.5 | 150.9 | 145.2 | -81 | 165.7 | 17.1 | 0 | 0 | 120.4 | ||||
| 38 | S | 28.8 | Very low | 32.4 | Very low | 100 Ų | 100 | 141.1 Ų | 141.1 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | cis | -169.6 | -178.5 | -9.1 | 65.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 39 | L | 31.4 | Very low | 32.1 | Very low | 149 Ų | 149 | 141.2 Ų | 141.2 | 78% | 0.78 | 75% | 0.746 | S | S | * | * | cis | -161 | 139.8 | -7.1 | -138.2 | 172.1 | 0 | 0 | 0 | 109.7 | ||||
| 40 | R | 27.3 | Very low | 31.7 | Very low | 252 Ų | 252 | 143.5 Ų | 143.5 | 95% | 0.951 | 75% | 0.746 | S | S | * | * | trans | -155.8 | 149.1 | 134.2 | -126.3 | 176 | -176.9 | 171 | 1.5 | 111.1 | ||||
| 41 | A | 34.6 | Very low | 30.9 | Very low | 81 Ų | 81 | 143.7 Ų | 143.7 | 67% | 0.669 | 76% | 0.756 | S | S | * | * | trans | -100 | -176.9 | -165.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 42 | K | 31.3 | Very low | 29.8 | Very low | 156 Ų | 156 | 143.8 Ų | 143.8 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | cis | -166.9 | 159.1 | 28.2 | -154.5 | 172.7 | 160.3 | -109.8 | 0 | 112 | ||||
| 43 | E | 27.8 | Very low | 29.6 | Very low | 129 Ų | 129 | 140.2 Ų | 140.2 | 60% | 0.603 | 76% | 0.764 | S | S | * | * | trans | 62.8 | 143 | 161.8 | -78.7 | 143.2 | 155.6 | 0 | 0 | 119.4 | ||||
| 44 | E | 27 | Very low | 29.8 | Very low | 164 Ų | 164 | 138.4 Ų | 138.4 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | cis | -161.1 | 162.5 | -23.7 | -137.8 | 166.3 | -166.2 | 0 | 0 | 112.1 | ||||
| 45 | Q | 25.6 | Very low | 29.5 | Very low | 166 Ų | 166 | 138.1 Ų | 138.1 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | trans | 64.3 | 98 | 153.1 | -151.5 | 159.9 | -6 | 0 | 0 | 122.3 | ||||
| 46 | Y | 26.4 | Very low | 28.7 | Very low | 204 Ų | 204 | 137.5 Ų | 137.5 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | 33 | 144.6 | 111.1 | -77.7 | -109.4 | 0 | 0 | 0 | 119.7 | |||||
| 47 | E | 23.7 | Very low | 27.6 | Very low | 167 Ų | 167 | 139.3 Ų | 139.3 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | cis | -164.8 | 179.2 | 18.1 | -150.3 | 164.2 | 168.4 | 0 | 0 | 114.3 | ||||
| 48 | A | 25.6 | Very low | 27.5 | Very low | 81 Ų | 81 | 136.2 Ų | 136.2 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | trans | 72.9 | 107.2 | 142 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 49 | H | 27.3 | Very low | 27.5 | Very low | 164 Ų | 164 | 138.9 Ų | 138.9 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | 52.6 | 123.8 | 113.9 | -91.8 | -107.7 | 0 | 0 | 0 | 124.5 | |||||
| 50 | E | 24.5 | Very low | 28.2 | Very low | 172 Ų | 172 | 136.7 Ų | 136.7 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | 73.7 | 168.1 | 129.4 | -90.5 | -173.8 | 110.2 | 0 | 0 | 124.5 | |||||
| 51 | A | 26.1 | Very low | 28.4 | Very low | 105 Ų | 105 | 130.7 Ų | 130.7 | 87% | 0.868 | 76% | 0.755 | S | S | * | * | trans | 78.2 | 158.9 | 166.2 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 52 | A | 26.5 | Very low | 28.1 | Very low | 107 Ų | 107 | 134 Ų | 134 | 88% | 0.884 | 76% | 0.756 | S | S | * | * | trans | -124.8 | 159.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 53 | G | 25.2 | Very low | 28.1 | Very low | 71 Ų | 71 | 133.6 Ų | 133.6 | 73% | 0.732 | 76% | 0.761 | S | S | * | * | trans | 124.5 | 99 | 163.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 54 | V | 30 | Very low | 28.9 | Very low | 152 Ų | 152 | 132.7 Ų | 132.7 | 92% | 0.921 | 77% | 0.766 | S | S | * | * | trans | 18.3 | 115.5 | 135.4 | -173 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 55 | A | 25.2 | Very low | 29.9 | Very low | 89 Ų | 89 | 130.6 Ų | 130.6 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | trans | -165.1 | 118.5 | 141.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 56 | S | 26.5 | Very low | 31.3 | Very low | 106 Ų | 106 | 127.8 Ų | 127.8 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | 49.4 | 137.8 | 124 | -51.8 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 57 | T | 27.4 | Very low | 31.4 | Very low | 128 Ų | 128 | 125.7 Ų | 125.7 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | trans | 71.6 | 130.4 | 132 | -65.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 58 | T | 28.9 | Very low | 31.7 | Very low | 118 Ų | 118 | 121.9 Ų | 121.9 | 72% | 0.724 | 76% | 0.758 | S | S | * | * | cis | -154.4 | 156.3 | 3 | 24.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 59 | Q | 29.4 | Very low | 31.9 | Very low | 155 Ų | 155 | 125 Ų | 125 | 72% | 0.724 | 76% | 0.762 | S | S | * | * | 53.3 | 154.4 | 65.1 | -72.7 | -91.3 | -2.7 | 0 | 0 | 114.5 | |||||
| 60 | P | 45.8 | Very low | 32 | Very low | 103 Ų | 103 | 122.6 Ų | 122.6 | 67% | 0.669 | 76% | 0.76 | S | S | * | * | cis | -99.6 | -155.6 | -2.7 | 22.5 | -0.2 | 0 | 0 | 0 | 111.8 | ||||
| 61 | V | 31.3 | Very low | 32.4 | Very low | 127 Ų | 127 | 121.9 Ų | 121.9 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | cis | -153.3 | 146.6 | 15.5 | 178.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 62 | E | 28.6 | Very low | 32.7 | Very low | 149 Ų | 149 | 123.5 Ų | 123.5 | 70% | 0.696 | 75% | 0.754 | S | S | * | * | cis | -160.6 | -104.3 | -28.3 | -166.9 | -167.4 | 106.3 | 0 | 0 | 110.4 | ||||
| 63 | L | 32.4 | Very low | 32.9 | Very low | 148 Ų | 148 | 125 Ų | 125 | 78% | 0.775 | 75% | 0.746 | S | S | * | * | trans | -152.6 | -168.8 | -162.8 | -67.4 | 171.7 | 0 | 0 | 0 | 109.7 | ||||
| 64 | P | 43.5 | Very low | 33.2 | Very low | 110 Ų | 110 | 126 Ų | 126 | 71% | 0.714 | 74% | 0.743 | S | S | * | * | cis | -135.4 | -152.1 | 1.1 | 35.6 | -9 | 0 | 0 | 0 | 113.3 | ||||
| 65 | P | 48.1 | Very low | 33 | Very low | 120 Ų | 120 | 125.2 Ų | 125.2 | 78% | 0.779 | 74% | 0.738 | S | S | * | * | -131.7 | -132.8 | -74.6 | 48.3 | -31.1 | 0 | 0 | 0 | 114 | |||||
| 66 | P | 54.3 | Low | 33.2 | Very low | 107 Ų | 107 | 126 Ų | 126 | 70% | 0.695 | 73% | 0.733 | S | S | * | * | trans | -121.5 | -163.4 | -149.2 | 37.6 | -12.7 | 0 | 0 | 0 | 114.1 | ||||
| 67 | N | 29.3 | Very low | 33.3 | Very low | 161 Ų | 161 | 131.7 Ų | 131.7 | 86% | 0.861 | 74% | 0.74 | S | S | * | * | trans | -172.4 | -174.2 | 136.2 | -105.5 | -34.6 | 0 | 0 | 0 | 116.7 | ||||
| 68 | S | 29.5 | Very low | 33.3 | Very low | 86 Ų | 86 | 128.6 Ų | 128.6 | 60% | 0.601 | 73% | 0.734 | S | S | * | * | trans | -122.1 | 173.1 | -150.5 | 60.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 69 | L | 31.1 | Very low | 33.2 | Very low | 146 Ų | 146 | 128.2 Ų | 128.2 | 76% | 0.764 | 74% | 0.736 | S | S | * | * | trans | 70.9 | 122.5 | 147.6 | -71.7 | 164.8 | 0 | 0 | 0 | 123.1 | ||||
| 70 | T | 28.9 | Very low | 33.1 | Very low | 115 Ų | 115 | 127.4 Ų | 127.4 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | trans | 78 | 151.3 | 131 | 55.1 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 71 | L | 31.9 | Very low | 32.4 | Very low | 156 Ų | 156 | 132.2 Ų | 132.2 | 82% | 0.817 | 74% | 0.737 | S | S | * | * | trans | 99.8 | 147.9 | 159.3 | -57.1 | 177 | 0 | 0 | 0 | 117.6 | ||||
| 72 | L | 33.2 | Very low | 32.3 | Very low | 140 Ų | 140 | 131.4 Ų | 131.4 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | -172.2 | 162.6 | -64.4 | -113.2 | 175.6 | 0 | 0 | 0 | 109.1 | |||||
| 73 | N | 29.9 | Very low | 32.2 | Very low | 137 Ų | 137 | 130.6 Ų | 130.6 | 73% | 0.733 | 74% | 0.738 | S | S | * | * | trans | 73.7 | 145.9 | 163.3 | -71.6 | -46.3 | 0 | 0 | 0 | 119.6 | ||||
| 74 | S | 32.2 | Very low | 32 | Very low | 94 Ų | 94 | 127.6 Ų | 127.6 | 66% | 0.657 | 73% | 0.734 | S | S | * | * | cis | -173.1 | -177.8 | -22.5 | -111.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 75 | V | 26.2 | Very low | 31.4 | Very low | 134 Ų | 134 | 128.4 Ų | 128.4 | 81% | 0.812 | 74% | 0.737 | S | S | * | * | trans | 86.5 | 105.6 | 175.4 | -173.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 76 | V | 29.3 | Very low | 30.6 | Very low | 106 Ų | 106 | 130.5 Ų | 130.5 | 64% | 0.642 | 74% | 0.739 | S | S | * | * | cis | 70.3 | 126.6 | 7.4 | -174 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 77 | Y | 28.4 | Very low | 29.6 | Very low | 226 Ų | 226 | 132.9 Ų | 132.9 | 89% | 0.886 | 74% | 0.744 | S | S | * | * | cis | -113.6 | -174.7 | 14.6 | -66.3 | -87.4 | 0 | 0 | 0 | 112.6 | ||||
| 78 | G | 26.5 | Very low | 29.7 | Very low | 63 Ų | 63 | 128.9 Ų | 128.9 | 65% | 0.649 | 73% | 0.729 | S | S | * | * | cis | 128.5 | 150.5 | -5.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 79 | S | 27.5 | Very low | 29.8 | Very low | 110 Ų | 110 | 132.9 Ų | 132.9 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | trans | 70.4 | 151.6 | 168.7 | -63.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 80 | E | 28 | Very low | 29.8 | Very low | 138 Ų | 138 | 134.1 Ų | 134.1 | 65% | 0.645 | 74% | 0.74 | S | S | * | * | cis | -165 | 169.9 | -26.1 | -130.4 | 178 | -95.7 | 0 | 0 | 111.3 | ||||
| 81 | R | 31.3 | Very low | 29.9 | Very low | 204 Ų | 204 | 132.8 Ų | 132.8 | 77% | 0.77 | 74% | 0.741 | S | S | * | * | trans | 68.2 | 111.7 | 145 | -82 | -171.1 | -155.7 | -136.9 | -2.6 | 125.7 | ||||
| 82 | T | 27.6 | Very low | 29.7 | Very low | 109 Ų | 109 | 134.1 Ų | 134.1 | 67% | 0.669 | 74% | 0.743 | S | S | * | * | 71.3 | 132.7 | 116.8 | 61.3 | 0 | 0 | 0 | 0 | 125.9 | |||||
| 83 | T | 27.9 | Very low | 29.5 | Very low | 133 Ų | 133 | 133.3 Ų | 133.3 | 82% | 0.816 | 74% | 0.743 | S | S | * | * | trans | 83.8 | 156.3 | 131.5 | 49.9 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 84 | A | 27.4 | Very low | 29.3 | Very low | 84 Ų | 84 | 136 Ų | 136 | 69% | 0.694 | 75% | 0.749 | S | S | * | * | trans | 73.5 | 122.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 85 | T | 31 | Very low | 29.1 | Very low | 127 Ų | 127 | 142.4 Ų | 142.4 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | cis | 95.2 | 134.3 | 29.8 | 65.8 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 86 | M | 30.8 | Very low | 30 | Very low | 165 Ų | 165 | 142 Ų | 142 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | trans | 90.2 | 110.6 | 156.3 | -69.5 | -58.6 | 170.8 | 0 | 0 | 122.3 | ||||
| 87 | L | 34 | Very low | 30 | Very low | 156 Ų | 156 | 144.1 Ų | 144.1 | 82% | 0.817 | 77% | 0.766 | S | S | * | * | 78.4 | 134.5 | 118 | -149.5 | 79.1 | 0 | 0 | 0 | 121.5 | |||||
| 88 | S | 31.8 | Very low | 30.1 | Very low | 77 Ų | 77 | 139 Ų | 139 | 54% | 0.538 | 76% | 0.764 | S | S | . | * | 139.5 | 114.4 | 116.1 | -173.9 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 89 | Q | 31.6 | Very low | 30.2 | Very low | 171 Ų | 171 | 142.6 Ų | 142.6 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | trans | 61.8 | 173.8 | 141.1 | -68 | 179.1 | 88.9 | 0 | 0 | 121.7 | ||||
| 90 | Q | 31.3 | Very low | 30.3 | Very low | 172 Ų | 172 | 145.9 Ų | 145.9 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | -166.2 | 140.9 | -61.5 | -134 | -179 | -6.7 | 0 | 0 | 113.2 | |||||
| 91 | A | 29.2 | Very low | 30.3 | Very low | 86 Ų | 86 | 143.3 Ų | 143.3 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | trans | 71 | 161.9 | 142.1 | 0 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 92 | Q | 28.2 | Very low | 30.9 | Very low | 185 Ų | 185 | 139.7 Ų | 139.7 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | trans | 78.6 | 151.8 | 161.9 | -61.1 | -162.4 | -79 | 0 | 0 | 121.1 | ||||
| 93 | V | 29.6 | Very low | 31 | Very low | 122 Ų | 122 | 138 Ų | 138 | 74% | 0.739 | 79% | 0.788 | S | S | * | * | cis | -179.2 | 158.4 | -43.2 | 127.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 94 | K | 25.3 | Very low | 31.2 | Very low | 195 Ų | 195 | 144.1 Ų | 144.1 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | trans | 112.5 | 143.4 | 148.6 | -119.6 | 169.9 | -173.5 | 175.7 | 0 | 120.7 | ||||
| 95 | W | 28.6 | Very low | 31.2 | Very low | 227 Ų | 227 | 144 Ų | 144 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | -108.7 | 167.9 | 170.8 | -77.9 | 87.5 | 0 | 0 | 0 | 110.8 | ||||
| 96 | P | 44.6 | Very low | 31.1 | Very low | 127 Ų | 127 | 145.9 Ų | 145.9 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | -147.2 | -174.4 | 105.1 | 38.3 | -20.8 | 0 | 0 | 0 | 116.2 | |||||
| 97 | N | 29.3 | Very low | 31 | Very low | 149 Ų | 149 | 144.2 Ų | 144.2 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | -97.4 | 170 | -168.2 | -96.4 | -46.2 | 0 | 0 | 0 | 116.3 | ||||
| 98 | S | 29.9 | Very low | 30.8 | Very low | 120 Ų | 120 | 147.2 Ų | 147.2 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | trans | -154.9 | 162.9 | 168.1 | -74 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 99 | V | 29.8 | Very low | 30.5 | Very low | 137 Ų | 137 | 147.3 Ų | 147.3 | 83% | 0.83 | 81% | 0.811 | S | S | * | * | trans | -160.5 | 176.8 | -166.2 | 99.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 100 | M | 29.3 | Very low | 30.3 | Very low | 179 Ų | 179 | 143.2 Ų | 143.2 | 88% | 0.882 | 81% | 0.814 | S | S | * | * | trans | 94.8 | 155.5 | 172.5 | -73.4 | -57.8 | 176.9 | 0 | 0 | 121 | ||||
| 101 | A | 28.9 | Very low | 30.1 | Very low | 85 Ų | 85 | 138.4 Ų | 138.4 | 70% | 0.702 | 81% | 0.812 | S | S | * | * | trans | -139 | -159.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 102 | P | 43.8 | Very low | 30.2 | Very low | 128 Ų | 128 | 142.4 Ų | 142.4 | 83% | 0.831 | 82% | 0.819 | S | S | * | * | cis | -143.3 | 168.2 | -6.5 | 42.7 | -24 | 0 | 0 | 0 | 118.3 | ||||
| 103 | G | 29.4 | Very low | 30.3 | Very low | 73 Ų | 73 | 138.3 Ų | 138.3 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | 99.6 | 144.5 | 129.1 | 0 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 104 | R | 30.6 | Very low | 30.3 | Very low | 261 Ų | 261 | 139.4 Ų | 139.4 | 99% | 0.985 | 81% | 0.813 | S | S | * | * | trans | 78.3 | 141.6 | 162.3 | -50.3 | -168.7 | -160.6 | -93.9 | 8 | 121.1 | ||||
| 105 | G | 28.4 | Very low | 30.7 | Very low | 81 Ų | 81 | 135.2 Ų | 135.2 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | trans | 170 | 150.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 106 | L | 27.9 | Very low | 30.7 | Very low | 168 Ų | 168 | 128 Ų | 128 | 88% | 0.88 | 80% | 0.803 | S | S | * | * | trans | -153 | 163 | 179.2 | -168.7 | 71.4 | 0 | 0 | 0 | 111.8 | ||||
| 107 | E | 29.4 | Very low | 29.8 | Very low | 129 Ų | 129 | 133 Ų | 133 | 60% | 0.603 | 81% | 0.806 | S | S | * | * | trans | 96.7 | 136.3 | 162.9 | -75.2 | -74 | 67.3 | 0 | 0 | 120.4 | ||||
| 108 | R | 29.3 | Very low | 29.8 | Very low | 219 Ų | 219 | 134.6 Ų | 134.6 | 83% | 0.826 | 81% | 0.809 | S | S | * | * | trans | 8.8 | 146.5 | 157.8 | -52.7 | 175.1 | -156 | -122 | -8.3 | 121.9 | ||||
| 109 | G | 26.4 | Very low | 29.8 | Very low | 80 Ų | 80 | 135.7 Ų | 135.7 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | 163.9 | 123.3 | 141.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 110 | G | 26.2 | Very low | 29.7 | Very low | 84 Ų | 84 | 136.4 Ų | 136.4 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | trans | -113.1 | 145 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 111 | G | 28.6 | Very low | 30.1 | Very low | 72 Ų | 72 | 133.9 Ų | 133.9 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | trans | 112.1 | 151.9 | 140.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 112 | I | 30.2 | Very low | 30.2 | Very low | 170 Ų | 170 | 132.9 Ų | 132.9 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | trans | 84.7 | 148.1 | 156.3 | -52.6 | 166.4 | 0 | 0 | 0 | 116.5 | ||||
| 113 | S | 31.8 | Very low | 29.6 | Very low | 99 Ų | 99 | 135.8 Ų | 135.8 | 69% | 0.692 | 79% | 0.792 | S | S | * | * | trans | -48.2 | 172.1 | 173.7 | -35.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 114 | D | 28.5 | Very low | 30 | Very low | 145 Ų | 145 | 137.3 Ų | 137.3 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | cis | -161.2 | -160.3 | 30.6 | -147.4 | -71.5 | 0 | 0 | 0 | 112 | ||||
| 115 | S | 34.3 | Very low | 30.5 | Very low | 107 Ų | 107 | 130.4 Ų | 130.4 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | -79.5 | 160.9 | -178.8 | 55.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 116 | G | 27.5 | Very low | 31 | Very low | 74 Ų | 74 | 132.4 Ų | 132.4 | 76% | 0.763 | 78% | 0.776 | S | S | * | * | trans | 170.4 | 91.5 | 172 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 117 | W | 26 | Very low | 31.1 | Very low | 233 Ų | 233 | 133.2 Ų | 133.2 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | trans | -27.1 | 144.2 | 161.5 | -62.6 | 85.2 | 0 | 0 | 0 | 120.6 | ||||
| 118 | Q | 30.3 | Very low | 31.9 | Very low | 182 Ų | 182 | 131.8 Ų | 131.8 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | 165.3 | 165.6 | 120.7 | -90.6 | -170.2 | 5.8 | 0 | 0 | 111.3 | |||||
| 119 | Q | 28.4 | Very low | 32 | Very low | 144 Ų | 144 | 124.8 Ų | 124.8 | 67% | 0.673 | 77% | 0.766 | S | S | * | * | -172.1 | 125.5 | -53 | -129 | -151.5 | 92.5 | 0 | 0 | 109.5 | |||||
| 120 | Q | 29.2 | Very low | 32.2 | Very low | 152 Ų | 152 | 130.2 Ų | 130.2 | 71% | 0.71 | 76% | 0.762 | S | S | * | * | trans | 57.5 | 178.8 | 145.1 | -69.2 | -65.6 | -26.9 | 0 | 0 | 118 | ||||
| 121 | P | 37.8 | Very low | 32.3 | Very low | 126 Ų | 126 | 132.7 Ų | 132.7 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | cis | -118.8 | 165.1 | -5.9 | 40.5 | -27.5 | 0 | 0 | 0 | 115.6 | ||||
| 122 | G | 29.8 | Very low | 32.4 | Very low | 63 Ų | 63 | 135.6 Ų | 135.6 | 65% | 0.649 | 75% | 0.749 | S | S | * | * | S | Bend | trans | 156.6 | 45.3 | 153.2 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||
| 123 | Q | 31.3 | Very low | 32.4 | Very low | 189 Ų | 189 | 134.5 Ų | 134.5 | 88% | 0.883 | 74% | 0.744 | S | S | * | * | trans | 172.4 | 161.4 | 138.3 | -87.4 | -104.2 | -22.4 | 0 | 0 | 112.2 | ||||
| 124 | P | 39 | Very low | 32.9 | Very low | 106 Ų | 106 | 134.9 Ų | 134.9 | 69% | 0.688 | 74% | 0.744 | S | S | * | * | trans | -117.5 | -157.7 | -163.3 | 50 | -36.6 | 0 | 0 | 0 | 112 | ||||
| 125 | P | 40.7 | Very low | 33.1 | Very low | 116 Ų | 116 | 135.7 Ų | 135.7 | 75% | 0.753 | 75% | 0.748 | S | S | * | * | -126.2 | 177.8 | -126.6 | 28.5 | -3 | 0 | 0 | 0 | 116.1 | |||||
| 126 | P | 39.4 | Very low | 32.9 | Very low | 123 Ų | 123 | 141.5 Ų | 141.5 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | trans | -138.8 | 143.1 | 136.2 | 35.8 | -22.7 | 0 | 0 | 0 | 115.7 | ||||
| 127 | H | 29.2 | Very low | 32.9 | Very low | 185 Ų | 185 | 143.2 Ų | 143.2 | 86% | 0.856 | 76% | 0.755 | S | S | * | * | trans | -166.3 | 179.6 | 177.7 | -98.5 | -20.2 | 0 | 0 | 0 | 107.9 | ||||
| 128 | P | 46 | Very low | 32.9 | Very low | 98 Ų | 98 | 135.6 Ų | 135.6 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | cis | -84.9 | -135.3 | -10.5 | 37.6 | -35.6 | 0 | 0 | 0 | 110.3 | W130 | P128-W130 HydrophobicContact CB-CZ2 4.22Š| ||
| 129 | A | 31.9 | Very low | 33.8 | Very low | 73 Ų | 73 | 132.9 Ų | 132.9 | 60% | 0.603 | 75% | 0.747 | S | S | * | * | cis | -163.2 | 178.1 | -4.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 130 | W | 30.3 | Very low | 33.9 | Very low | 194 Ų | 194 | 136.5 Ų | 136.5 | 74% | 0.735 | 76% | 0.76 | S | S | * | * | cis | -166 | 148.1 | -40.2 | -82 | -32.8 | 0 | 0 | 0 | 104.4 | P128 H132 | P128-W130 HydrophobicContact CB-CZ2 4.22Å; W130-H132 AromaticContact CD1-NE2 3.74Å; W130-H132 AromaticContact NE1-NE2 3.99Å | ||
| 131 | N | 28.4 | Very low | 33.8 | Very low | 135 Ų | 135 | 132.9 Ų | 132.9 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | -158.4 | 143.9 | 59.8 | -83 | -82.6 | 0 | 0 | 0 | 107.8 | |||||
| 132 | H | 30.9 | Very low | 33.5 | Very low | 133 Ų | 133 | 132.3 Ų | 132.3 | 62% | 0.616 | 76% | 0.763 | S | S | * | * | 60.4 | 133.1 | 73.2 | -57.9 | -55.3 | 0 | 0 | 0 | 112.8 | W130 | W130-H132 AromaticContact CD1-NE2 3.74Å; W130-H132 AromaticContact NE1-NE2 3.99Å | |||
| 133 | L | 29.2 | Very low | 33.9 | Very low | 148 Ų | 148 | 135.2 Ų | 135.2 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | cis | -151.4 | -159.4 | 11.7 | -148.2 | 70.8 | 0 | 0 | 0 | 111.6 | ||||
| 134 | P | 42.7 | Very low | 34 | Very low | 106 Ų | 106 | 134.9 Ų | 134.9 | 69% | 0.688 | 77% | 0.769 | S | S | * | * | -125 | -176.1 | -109.1 | 45.2 | -29.8 | 0 | 0 | 0 | 118.1 | |||||
| 135 | L | 32 | Very low | 33.9 | Very low | 162 Ų | 162 | 135.9 Ų | 135.9 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | trans | -58.3 | 162.3 | 159.3 | -67.4 | 134.1 | 0 | 0 | 0 | 113.6 | ||||
| 136 | Y | 30.2 | Very low | 33.3 | Very low | 230 Ų | 230 | 133.6 Ų | 133.6 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | trans | -147.4 | 157.4 | 143.6 | -126.9 | -84.6 | 0 | 0 | 0 | 113 | ||||
| 137 | S | 28 | Very low | 32.7 | Very low | 109 Ų | 109 | 134.9 Ų | 134.9 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | trans | -143.5 | 147.8 | 174.5 | 64.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 138 | G | 27.3 | Very low | 32.5 | Very low | 74 Ų | 74 | 129.4 Ų | 129.4 | 76% | 0.763 | 77% | 0.771 | S | S | * | * | trans | 130.1 | 162.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 139 | P | 48.8 | Very low | 31.6 | Very low | 124 Ų | 124 | 131.1 Ų | 131.1 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | trans | -126.8 | 151.9 | -156.5 | 39.5 | -24.9 | 0 | 0 | 0 | 116.3 | ||||
| 140 | K | 29.2 | Very low | 31.7 | Very low | 220 Ų | 220 | 133.1 Ų | 133.1 | 96% | 0.957 | 79% | 0.79 | S | S | * | * | trans | 176.3 | 156.7 | 142.2 | -102.1 | 161.7 | -176.9 | 178.4 | 0 | 111.1 | ||||
| 141 | G | 28.4 | Very low | 32 | Very low | 77 Ų | 77 | 128.2 Ų | 128.2 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | trans | 114.5 | 93.4 | 160.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 142 | S | 31.7 | Very low | 31.9 | Very low | 113 Ų | 113 | 131.6 Ų | 131.6 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | -84 | 149.6 | 147.9 | -51.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 143 | P | 37.3 | Very low | 31.8 | Very low | 124 Ų | 124 | 135 Ų | 135 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | -140.7 | 157 | 87.1 | 37.7 | -24.1 | 0 | 0 | 0 | 115.2 | |||||
| 144 | H | 33.5 | Very low | 31.6 | Very low | 182 Ų | 182 | 134.8 Ų | 134.8 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | trans | -81.5 | 151.7 | 157.7 | -61.3 | -76.8 | 0 | 0 | 0 | 109.3 | ||||
| 145 | P | 37.6 | Very low | 31.3 | Very low | 128 Ų | 128 | 137.9 Ų | 137.9 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | -150.4 | -177.3 | 92.7 | 39.6 | -22.2 | 0 | 0 | 0 | 114.9 | |||||
| 146 | G | 27.4 | Very low | 31.8 | Very low | 67 Ų | 67 | 135.8 Ų | 135.8 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | trans | 84.5 | 110.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 147 | V | 26 | Very low | 31.6 | Very low | 150 Ų | 150 | 133.4 Ų | 133.4 | 91% | 0.909 | 79% | 0.793 | S | S | * | * | cis | 73.3 | 102.7 | 18.5 | -168.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 148 | G | 26.5 | Very low | 31.9 | Very low | 70 Ų | 70 | 132.6 Ų | 132.6 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | trans | 85.3 | 164.2 | 163.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 149 | V | 26.3 | Very low | 32.1 | Very low | 134 Ų | 134 | 137.6 Ų | 137.6 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | cis | -146.2 | 139.3 | -10.4 | 175 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 150 | S | 33.9 | Very low | 31.2 | Very low | 116 Ų | 116 | 141.7 Ų | 141.7 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | trans | -86.4 | 131.4 | 166.2 | 170.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 151 | P | 36.3 | Very low | 31.3 | Very low | 90 Ų | 90 | 134.8 Ų | 134.8 | 58% | 0.584 | 80% | 0.798 | S | S | * | * | trans | -153.1 | 173.3 | 134.2 | 42.2 | -26.2 | 0 | 0 | 0 | 117.5 | ||||
| 152 | Y | 26.1 | Very low | 31.2 | Very low | 207 Ų | 207 | 137.1 Ų | 137.1 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | trans | 65.2 | 98.5 | 154.5 | -67 | -59.1 | 0 | 0 | 0 | 122.5 | ||||
| 153 | Y | 28.8 | Very low | 31.3 | Very low | 204 Ų | 204 | 139.2 Ų | 139.2 | 80% | 0.8 | 80% | 0.797 | S | S | * | * | 25.8 | 123.8 | 101.8 | -115.3 | -98.1 | 0 | 0 | 0 | 118 | |||||
| 154 | N | 25.3 | Very low | 31.8 | Very low | 144 Ų | 144 | 139.6 Ų | 139.6 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | -175.6 | 160.7 | 105.3 | -101.6 | -63.6 | 0 | 0 | 0 | 114.7 | |||||
| 155 | H | 36.8 | Very low | 31.5 | Very low | 170 Ų | 170 | 133.4 Ų | 133.4 | 79% | 0.787 | 79% | 0.785 | S | S | * | * | trans | -84.3 | 163 | 164.2 | -103.8 | -76.9 | 0 | 0 | 0 | 110.4 | ||||
| 156 | P | 42 | Very low | 31.4 | Very low | 119 Ų | 119 | 130.2 Ų | 130.2 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | -140.8 | -144.4 | 96 | 38.6 | -21.9 | 0 | 0 | 0 | 113.5 | |||||
| 157 | E | 27.3 | Very low | 32.6 | Very low | 180 Ų | 180 | 131.6 Ų | 131.6 | 84% | 0.841 | 77% | 0.772 | S | S | * | * | trans | -130.7 | 165.4 | -148.7 | -56.8 | 170.3 | 91.6 | 0 | 0 | 115.8 | ||||
| 158 | A | 33.8 | Very low | 33.1 | Very low | 92 Ų | 92 | 132.1 Ų | 132.1 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | trans | 64.1 | 135.7 | 141.9 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 159 | L | 31.7 | Very low | 33.5 | Very low | 179 Ų | 179 | 135.4 Ų | 135.4 | 94% | 0.937 | 76% | 0.764 | S | S | * | * | -163.2 | 176.1 | 112.5 | -104.9 | 165.3 | 0 | 0 | 0 | 112.5 | |||||
| 160 | K | 30.1 | Very low | 33.8 | Very low | 210 Ų | 210 | 134.8 Ų | 134.8 | 91% | 0.913 | 76% | 0.757 | S | S | * | * | trans | -128.6 | 157.6 | -166.3 | -71.3 | 177.7 | 176.1 | 172.7 | 0 | 114 | ||||
| 161 | G | 29.7 | Very low | 33.9 | Very low | 74 Ų | 74 | 136 Ų | 136 | 76% | 0.763 | 75% | 0.749 | S | S | * | * | trans | 170.4 | 148.9 | 149.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 162 | S | 27.2 | Very low | 33.6 | Very low | 127 Ų | 127 | 141.3 Ų | 141.3 | 89% | 0.888 | 76% | 0.759 | S | S | * | * | cis | -159.5 | 166.1 | -22.1 | 42.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 163 | K | 33 | Very low | 33.7 | Very low | 157 Ų | 157 | 134 Ų | 134 | 68% | 0.683 | 75% | 0.746 | S | S | * | * | trans | -88.4 | 178.6 | -176.1 | -111.6 | -176.7 | -174.1 | -166.9 | 0 | 111.3 | G165 | K163-G165 WeakPolarHBondContact CD-O 3.33Å; K163-G165 WeakPolarHBondContact CE-O 3.33Å; K163-G165 PolarHBondContact NZ-O 3.33Å | ||
| 164 | P | 48.4 | Very low | 33.9 | Very low | 131 Ų | 131 | 131 Ų | 131 | 85% | 0.851 | 74% | 0.744 | S | S | * | * | cis | -128.6 | 167.3 | 30.4 | 37.4 | -19.1 | 0 | 0 | 0 | 116.9 | ||||
| 165 | G | 28.3 | Very low | 34.2 | Very low | 53 Ų | 53 | 129.6 Ų | 129.6 | 55% | 0.546 | 74% | 0.741 | S | S | . | * | cis | -116.8 | -161.6 | 10.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | K163 | K163-G165 WeakPolarHBondContact CD-O 3.33Å; K163-G165 WeakPolarHBondContact CE-O 3.33Å; K163-G165 PolarHBondContact NZ-O 3.33Å | ||
| 166 | G | 35.1 | Very low | 33.9 | Very low | 60 Ų | 60 | 127.3 Ų | 127.3 | 62% | 0.619 | 74% | 0.739 | S | S | * | * | cis | 118.3 | 117 | -15.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 167 | P | 51.9 | Low | 33.3 | Very low | 96 Ų | 96 | 130 Ų | 130 | 62% | 0.623 | 74% | 0.741 | S | S | * | * | cis | -69.1 | -92.5 | -14 | -6.2 | 21.4 | 0 | 0 | 0 | 111.9 | ||||
| 168 | Q | 36 | Very low | 35 | Very low | 162 Ų | 162 | 126.9 Ų | 126.9 | 76% | 0.757 | 74% | 0.736 | S | S | * | * | cis | -169.4 | 134.6 | -25.6 | -160.1 | 158.7 | -8.6 | 0 | 0 | 106 | ||||
| 169 | L | 36.3 | Very low | 34.7 | Very low | 138 Ų | 138 | 131.2 Ų | 131.2 | 72% | 0.723 | 74% | 0.743 | S | S | * | * | cis | -144 | -169.2 | -23.8 | -144.5 | 57.8 | 0 | 0 | 0 | 104.2 | ||||
| 170 | D | 31.6 | Very low | 34.8 | Very low | 121 Ų | 121 | 129 Ų | 129 | 65% | 0.647 | 74% | 0.737 | S | S | * | * | cis | -157.8 | -168.7 | 3.8 | -151.3 | -24 | 0 | 0 | 0 | 109.4 | ||||
| 171 | H | 35.5 | Very low | 36.4 | Very low | 142 Ų | 142 | 124.3 Ų | 124.3 | 66% | 0.657 | 73% | 0.727 | S | S | * | * | trans | -82.6 | 162.1 | 174.9 | -51.5 | 81 | 0 | 0 | 0 | 111.8 | ||||
| 172 | Y | 31.4 | Very low | 36.7 | Very low | 202 Ų | 202 | 128.2 Ų | 128.2 | 79% | 0.792 | 73% | 0.726 | S | S | * | * | cis | -165.6 | 170.7 | -12.7 | -112.2 | -170.9 | 0 | 0 | 0 | 107.6 | ||||
| 173 | G | 28 | Very low | 37.1 | Very low | 52 Ų | 52 | 129.2 Ų | 129.2 | 54% | 0.536 | 71% | 0.714 | S | S | . | * | cis | 127.9 | 122.2 | -3.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 174 | N | 32 | Very low | 37.2 | Very low | 142 Ų | 142 | 128.4 Ų | 128.4 | 76% | 0.759 | 72% | 0.715 | S | S | * | * | trans | 67.9 | 164.3 | 156.8 | -71.2 | -10.4 | 0 | 0 | 0 | 119.6 | ||||
| 175 | T | 32.3 | Very low | 36.4 | Very low | 115 Ų | 115 | 128.5 Ų | 128.5 | 71% | 0.706 | 70% | 0.704 | S | S | * | * | cis | -175 | -156.9 | -47.9 | 38.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 176 | V | 30.5 | Very low | 36.8 | Very low | 122 Ų | 122 | 132 Ų | 132 | 74% | 0.739 | 71% | 0.71 | S | S | * | * | trans | 78.7 | 142.1 | 165.1 | 171.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 177 | Q | 29.3 | Very low | 36.5 | Very low | 174 Ų | 174 | 136.6 Ų | 136.6 | 81% | 0.813 | 72% | 0.715 | S | S | * | * | cis | -158.7 | 173.5 | -19.3 | -107.4 | -180 | 4.8 | 0 | 0 | 111.2 | ||||
| 178 | P | 62.9 | Low | 35.5 | Very low | 116 Ų | 116 | 138.4 Ų | 138.4 | 75% | 0.753 | 72% | 0.724 | S | S | * | * | trans | -113 | -178.9 | -176.8 | 42.5 | -34.2 | 0 | 0 | 0 | 116 | ||||
| 179 | M | 27 | Very low | 35 | Very low | 183 Ų | 183 | 134.3 Ų | 134.3 | 90% | 0.901 | 73% | 0.725 | S | S | * | * | trans | -149.7 | 174 | 168.7 | -110 | 177.8 | 74.5 | 0 | 0 | 115.2 | ||||
| 180 | V | 35.2 | Very low | 34.7 | Very low | 133 Ų | 133 | 138.5 Ų | 138.5 | 81% | 0.806 | 73% | 0.731 | S | S | * | * | trans | -120.6 | -142.7 | -141.3 | -76.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 181 | P | 63.5 | Low | 35.8 | Very low | 110 Ų | 110 | 137.7 Ų | 137.7 | 71% | 0.714 | 73% | 0.732 | S | S | * | * | -136.7 | -152.1 | -107.7 | 47.2 | -27.3 | 0 | 0 | 0 | 117.7 | |||||
| 182 | Q | 34.6 | Very low | 35.3 | Very low | 157 Ų | 157 | 138.9 Ų | 138.9 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | trans | 113.6 | 153.3 | 163.4 | -63.8 | -159.1 | 27.2 | 0 | 0 | 117.6 | ||||
| 183 | K | 35.6 | Very low | 35.2 | Very low | 148 Ų | 148 | 133.3 Ų | 133.3 | 64% | 0.643 | 73% | 0.734 | S | S | * | * | cis | -167.3 | 155 | -9.5 | -117.4 | -168.7 | -174.8 | -175.3 | 0 | 115.1 | ||||
| 184 | M | 35.3 | Very low | 36.3 | Very low | 139 Ų | 139 | 136 Ų | 136 | 69% | 0.685 | 74% | 0.742 | S | S | * | * | trans | 38.2 | 158.5 | 132 | -68.1 | 172 | 168.7 | 0 | 0 | 123.9 | ||||
| 185 | Q | 31.5 | Very low | 36.2 | Very low | 134 Ų | 134 | 136.2 Ų | 136.2 | 63% | 0.626 | 74% | 0.742 | S | S | * | * | cis | -172.9 | 172.3 | -11.1 | -115.1 | 176.6 | -119.7 | 0 | 0 | 114.2 | ||||
| 186 | L | 36.7 | Very low | 36.1 | Very low | 127 Ų | 127 | 137.2 Ų | 137.2 | 67% | 0.665 | 74% | 0.743 | S | S | * | * | trans | 69.1 | 171 | 155.5 | -85 | 27.3 | 0 | 0 | 0 | 119.4 | ||||
| 187 | E | 29.5 | Very low | 36.1 | Very low | 155 Ų | 155 | 135.5 Ų | 135.5 | 72% | 0.724 | 74% | 0.737 | S | S | * | * | cis | -144.9 | -136.1 | 12.4 | -159.2 | 47.6 | -79.8 | 0 | 0 | 115.7 | ||||
| 188 | V | 30.9 | Very low | 36.2 | Very low | 135 Ų | 135 | 135.4 Ų | 135.4 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | trans | -133.5 | 155 | -157.1 | 158.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 189 | G | 25.5 | Very low | 34.8 | Very low | 75 Ų | 75 | 138.5 Ų | 138.5 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | trans | 178.7 | 140.8 | 162.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 190 | R | 29.1 | Very low | 34.8 | Very low | 226 Ų | 226 | 133.8 Ų | 133.8 | 85% | 0.853 | 74% | 0.736 | S | S | * | * | trans | -152 | 177.1 | 174.3 | -129.8 | -153.5 | 160.4 | -176.5 | -4.9 | 108.7 | ||||
| 191 | P | 55.5 | Low | 34.4 | Very low | 104 Ų | 104 | 132 Ų | 132 | 68% | 0.675 | 74% | 0.736 | S | S | * | * | cis | -115.9 | -147.7 | 17.7 | 23.6 | 3.7 | 0 | 0 | 0 | 111.6 | ||||
| 192 | Q | 26.1 | Very low | 32.7 | Very low | 168 Ų | 168 | 137.1 Ų | 137.1 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | cis | -138.6 | -133.4 | 7 | -60.3 | -176.3 | 22 | 0 | 0 | 112.8 | ||||
| 193 | A | 29 | Very low | 32.2 | Very low | 84 Ų | 84 | 139.4 Ų | 139.4 | 69% | 0.694 | 75% | 0.754 | S | S | * | * | trans | -166.4 | -155.1 | -173 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 194 | P | 50.1 | Low | 32.8 | Very low | 109 Ų | 109 | 137.6 Ų | 137.6 | 71% | 0.708 | 76% | 0.757 | S | S | * | * | cis | -143.8 | 156.3 | -6.3 | 27.1 | -1.1 | 0 | 0 | 0 | 120.4 | ||||
| 195 | L | 30.3 | Very low | 32.8 | Very low | 147 Ų | 147 | 136.1 Ų | 136.1 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | trans | 67.7 | 129.7 | 133 | -63.3 | 170.1 | 0 | 0 | 0 | 126.2 | ||||
| 196 | N | 30.2 | Very low | 32.5 | Very low | 135 Ų | 135 | 136.4 Ų | 136.4 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | 73.8 | 158.7 | 129.2 | -71.4 | -2.7 | 0 | 0 | 0 | 123.4 | |||||
| 197 | S | 30.3 | Very low | 32 | Very low | 87 Ų | 87 | 137.9 Ų | 137.9 | 61% | 0.608 | 77% | 0.767 | S | S | * | * | cis | -176.3 | -177.8 | -26.4 | -173.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 198 | F | 30.8 | Very low | 31.8 | Very low | 171 Ų | 171 | 135.4 Ų | 135.4 | 75% | 0.75 | 76% | 0.763 | S | S | * | * | trans | 90.2 | 114.1 | 159.2 | -74.9 | -82.7 | 0 | 0 | 0 | 123.3 | ||||
| 199 | H | 33.7 | Very low | 31.6 | Very low | 182 Ų | 182 | 136.3 Ų | 136.3 | 84% | 0.843 | 76% | 0.762 | S | S | * | * | trans | 26.8 | 136.7 | 131.8 | -68.8 | -113.9 | 0 | 0 | 0 | 122.1 | ||||
| 200 | G | 27.8 | Very low | 32 | Very low | 83 Ų | 83 | 137.8 Ų | 137.8 | 86% | 0.856 | 76% | 0.758 | S | S | * | * | trans | -176.6 | 148.5 | 160.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 201 | A | 26.8 | Very low | 32.1 | Very low | 97 Ų | 97 | 135.8 Ų | 135.8 | 80% | 0.802 | 76% | 0.763 | S | S | * | * | trans | -133.1 | 177.9 | -172 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 202 | K | 26.6 | Very low | 30.8 | Very low | 216 Ų | 216 | 139.2 Ų | 139.2 | 94% | 0.939 | 77% | 0.771 | S | S | * | * | trans | 80.3 | -175 | 164.5 | -64.1 | -178.3 | 176.5 | 176.8 | 0 | 117.5 | ||||
| 203 | K | 25.6 | Very low | 31.3 | Very low | 206 Ų | 206 | 134.9 Ų | 134.9 | 90% | 0.896 | 76% | 0.757 | S | S | * | * | trans | -109.2 | -168.5 | -149.4 | -122.5 | -171 | -179.3 | 179.7 | 0 | 110.8 | ||||
| 204 | P | 47.1 | Very low | 31.3 | Very low | 110 Ų | 110 | 139.9 Ų | 139.9 | 71% | 0.714 | 76% | 0.763 | S | S | * | * | trans | -78.4 | -177.4 | -153.8 | 42.5 | -42.9 | 0 | 0 | 0 | 113.4 | ||||
| 205 | P | 36.6 | Very low | 30.2 | Very low | 107 Ų | 107 | 142.5 Ų | 142.5 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | cis | -148.2 | -169.3 | 24.8 | 45.4 | -23.9 | 0 | 0 | 0 | 118.8 | ||||
| 206 | N | 23.7 | Very low | 30.2 | Very low | 140 Ų | 140 | 142.9 Ų | 142.9 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | trans | 23.9 | 136.2 | 145.8 | -71.8 | -17.6 | 0 | 0 | 0 | 119.3 | ||||
| 207 | Q | 27.1 | Very low | 29.9 | Very low | 159 Ų | 159 | 140.7 Ų | 140.7 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | cis | -157.1 | -155.9 | 15.8 | -127.6 | -173.2 | 119.3 | 0 | 0 | 109.3 | ||||
| 208 | T | 25.9 | Very low | 29.6 | Very low | 103 Ų | 103 | 145.8 Ų | 145.8 | 63% | 0.632 | 78% | 0.78 | S | S | * | * | cis | -160.4 | 159.9 | 16.9 | -22.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 209 | L | 26.1 | Very low | 29.3 | Very low | 153 Ų | 153 | 141 Ų | 141 | 80% | 0.801 | 78% | 0.779 | S | S | * | * | trans | 68.2 | 149 | 159.9 | -61 | 178.8 | 0 | 0 | 0 | 120 | ||||
| 210 | P | 33.1 | Very low | 29 | Very low | 106 Ų | 106 | 139.7 Ų | 139.7 | 69% | 0.688 | 77% | 0.773 | S | S | * | * | cis | -133.8 | 120.2 | -26 | 33 | -14.5 | 0 | 0 | 0 | 113.7 | ||||
| 211 | L | 31.1 | Very low | 29.3 | Very low | 184 Ų | 184 | 143.5 Ų | 143.5 | 96% | 0.963 | 77% | 0.768 | S | S | * | * | trans | -137.2 | 109.3 | 151.8 | -80.4 | -177.7 | 0 | 0 | 0 | 110.7 | ||||
| 212 | Q | 28.7 | Very low | 29.3 | Very low | 177 Ų | 177 | 145.3 Ų | 145.3 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | trans | -103.7 | 176.3 | 170.1 | -117.9 | -161.9 | 2.6 | 0 | 0 | 107.7 | ||||
| 213 | P | 37.6 | Very low | 29.5 | Very low | 76 Ų | 76 | 142.7 Ų | 142.7 | 49% | 0.494 | 76% | 0.758 | S | S | . | * | cis | -129.5 | -167.6 | -47.6 | 23.6 | -0.3 | 0 | 0 | 0 | 111.1 | ||||
| 214 | F | 28.1 | Very low | 30 | Very low | 190 Ų | 190 | 140.1 Ų | 140.1 | 83% | 0.833 | 74% | 0.743 | S | S | * | * | trans | 62.9 | 131.1 | 160.2 | -57.7 | -55.1 | 0 | 0 | 0 | 118.2 | ||||
| 215 | Q | 27.3 | Very low | 29.1 | Very low | 163 Ų | 163 | 142 Ų | 142 | 76% | 0.762 | 74% | 0.742 | S | S | * | * | cis | 69.6 | 120.7 | 7.9 | -123.9 | -170 | 42.8 | 0 | 0 | 116.9 | ||||
| 216 | L | 29.5 | Very low | 28.8 | Very low | 156 Ų | 156 | 142 Ų | 142 | 82% | 0.817 | 74% | 0.74 | S | S | * | * | trans | 66.8 | 164.1 | -176.2 | -67.8 | 66 | 0 | 0 | 0 | 112.4 | ||||
| 217 | A | 24.7 | Very low | 29 | Very low | 89 Ų | 89 | 144.2 Ų | 144.2 | 74% | 0.736 | 74% | 0.743 | S | S | * | * | cis | -144 | 175.1 | 7.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 218 | F | 23.6 | Very low | 29.1 | Very low | 194 Ų | 194 | 146.1 Ų | 146.1 | 85% | 0.851 | 74% | 0.744 | S | S | * | * | trans | -53.7 | 144.3 | 167.1 | -78 | -118.2 | 0 | 0 | 0 | 116.2 | ||||
| 219 | G | 24.2 | Very low | 29.3 | Very low | 70 Ų | 70 | 149.2 Ų | 149.2 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | trans | 58.6 | -167.7 | 150.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 220 | H | 27.4 | Very low | 29.4 | Very low | 154 Ų | 154 | 145.3 Ų | 145.3 | 71% | 0.713 | 75% | 0.748 | S | S | * | * | cis | -131 | 156.4 | -24.2 | -78.6 | -101.1 | 0 | 0 | 0 | 105.2 | ||||
| 221 | Q | 34.6 | Very low | 29.6 | Very low | 163 Ų | 163 | 146.6 Ų | 146.6 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | -157.7 | 143.8 | 58.2 | -68.5 | -79.6 | 5.8 | 0 | 0 | 106.9 | |||||
| 222 | M | 27.5 | Very low | 29.8 | Very low | 136 Ų | 136 | 146 Ų | 146 | 67% | 0.67 | 75% | 0.749 | S | S | * | * | cis | 63.3 | 87.9 | 39.5 | -71 | -69.5 | 176.3 | 0 | 0 | 115.9 | R224 | M222-R224 HydrophobicContact CB-CG 4.23Š| ||
| 223 | N | 30.8 | Very low | 30.6 | Very low | 160 Ų | 160 | 142.8 Ų | 142.8 | 86% | 0.856 | 74% | 0.743 | S | S | * | * | -107.3 | 84.6 | 123.2 | -158.5 | 9.4 | 0 | 0 | 0 | 105.4 | |||||
| 224 | R | 34.7 | Very low | 29.9 | Very low | 153 Ų | 153 | 144.1 Ų | 144.1 | 58% | 0.577 | 75% | 0.754 | S | S | * | * | 56.9 | 128.2 | 94.4 | -64.1 | -165 | 84.6 | -97.4 | -6.9 | 111.7 | M222 | M222-R224 HydrophobicContact CB-CG 4.23Š| |||
| 225 | Q | 29.4 | Very low | 30.2 | Very low | 148 Ų | 148 | 142.8 Ų | 142.8 | 69% | 0.692 | 76% | 0.756 | S | S | * | * | cis | -144.6 | 179.1 | 13.1 | -46.3 | -176.4 | 114.5 | 0 | 0 | 109.5 | ||||
| 226 | V | 29.6 | Very low | 30.7 | Very low | 108 Ų | 108 | 140.7 Ų | 140.7 | 66% | 0.655 | 76% | 0.756 | S | S | * | * | cis | -160.6 | 148.2 | -6.8 | 103.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 227 | F | 28.1 | Very low | 30.7 | Very low | 187 Ų | 187 | 139.8 Ų | 139.8 | 82% | 0.82 | 76% | 0.757 | S | S | * | * | trans | 58.2 | 162.9 | 164.1 | -84.2 | -132.5 | 0 | 0 | 0 | 119.5 | ||||
| 228 | R | 30.1 | Very low | 30.8 | Very low | 199 Ų | 199 | 139.8 Ų | 139.8 | 75% | 0.751 | 76% | 0.757 | S | S | * | * | cis | -154 | 169.2 | -48.3 | -148.4 | -166.4 | -177.1 | -91.7 | 1.2 | 109 | ||||
| 229 | Q | 29.6 | Very low | 30.9 | Very low | 167 Ų | 167 | 135.1 Ų | 135.1 | 78% | 0.78 | 75% | 0.749 | S | S | * | * | trans | -78.5 | 157.6 | -173 | -57.6 | 153.4 | -20.7 | 0 | 0 | 115 | ||||
| 230 | G | 27.7 | Very low | 31.2 | Very low | 72 Ų | 72 | 141.5 Ų | 141.5 | 74% | 0.742 | 76% | 0.757 | S | S | * | * | trans | -160.3 | 141.3 | 159.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 231 | P | 36.6 | Very low | 32.4 | Very low | 132 Ų | 132 | 139.3 Ų | 139.3 | 86% | 0.857 | 76% | 0.757 | S | S | * | * | trans | -105 | 174 | -167.2 | 40.5 | -36.6 | 0 | 0 | 0 | 116.2 | ||||
| 232 | Q | 35.6 | Very low | 33.6 | Very low | 172 Ų | 172 | 137.1 Ų | 137.1 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | -56.5 | 164.8 | 156.5 | -71.4 | -82.3 | -17.6 | 0 | 0 | 111.9 | ||||
| 233 | P | 45.4 | Very low | 33.7 | Very low | 109 Ų | 109 | 137.9 Ų | 137.9 | 71% | 0.708 | 76% | 0.758 | S | S | * | * | cis | -132.6 | -178.9 | 7.9 | 42.5 | -27.2 | 0 | 0 | 0 | 115.2 | ||||
| 234 | S | 24.6 | Very low | 33.4 | Very low | 105 Ų | 105 | 137.6 Ų | 137.6 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | trans | 173.8 | 146.9 | 135.3 | 46.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 235 | N | 34.3 | Very low | 33.1 | Very low | 162 Ų | 162 | 138.2 Ų | 138.2 | 87% | 0.866 | 76% | 0.759 | S | S | * | * | trans | -85.7 | 146.8 | 147 | -82.9 | -22.6 | 0 | 0 | 0 | 107.1 | ||||
| 236 | P | 37.9 | Very low | 34.2 | Very low | 118 Ų | 118 | 136.3 Ų | 136.3 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | -146.4 | 171.6 | 101.3 | 39.4 | -24.8 | 0 | 0 | 0 | 116.7 | |||||
| 237 | T | 28.1 | Very low | 35.2 | Very low | 137 Ų | 137 | 136.1 Ų | 136.1 | 84% | 0.84 | 76% | 0.76 | S | S | * | * | trans | -46.5 | 169.3 | 166.5 | -41.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 238 | A | 27.2 | Very low | 35.5 | Very low | 89 Ų | 89 | 134 Ų | 134 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | trans | 93.4 | 159.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 239 | S | 25.4 | Very low | 35.7 | Very low | 96 Ų | 96 | 131.6 Ų | 131.6 | 67% | 0.671 | 75% | 0.75 | S | S | * | * | -176.4 | 117.1 | -61.8 | 49.2 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 240 | F | 31.3 | Very low | 35.8 | Very low | 204 Ų | 204 | 131.2 Ų | 131.2 | 90% | 0.895 | 75% | 0.748 | S | S | * | * | trans | 61.4 | -176.2 | 165 | -68.1 | -77 | 0 | 0 | 0 | 116.1 | ||||
| 241 | P | 53 | Low | 37 | Very low | 109 Ų | 109 | 133.3 Ų | 133.3 | 71% | 0.708 | 75% | 0.749 | S | S | * | * | -128.6 | -131.3 | -90.1 | 38.7 | -18.1 | 0 | 0 | 0 | 112.6 | |||||
| 242 | P | 59.2 | Low | 36.8 | Very low | 116 Ų | 116 | 131.2 Ų | 131.2 | 75% | 0.753 | 74% | 0.743 | S | S | * | * | -102.3 | -162.6 | -82.7 | 36.7 | -18.9 | 0 | 0 | 0 | 112.9 | |||||
| 243 | Q | 28.8 | Very low | 36.8 | Very low | 152 Ų | 152 | 127.7 Ų | 127.7 | 71% | 0.71 | 74% | 0.743 | S | S | * | * | trans | 154.1 | 119 | 130.5 | -179.1 | 153.5 | -98.6 | 0 | 0 | 118.6 | ||||
| 244 | K | 25.7 | Very low | 36.2 | Very low | 155 Ų | 155 | 130.4 Ų | 130.4 | 67% | 0.674 | 75% | 0.748 | S | S | * | * | trans | 70.2 | 118.2 | 140.8 | -81.5 | 172.1 | -164.6 | 151 | 0 | 127.4 | ||||
| 245 | Q | 27 | Very low | 36.5 | Very low | 166 Ų | 166 | 130.5 Ų | 130.5 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | 88.9 | 174.5 | 112.3 | -105.9 | 174.3 | -21 | 0 | 0 | 122.6 | |||||
| 246 | P | 53.5 | Low | 36.4 | Very low | 108 Ų | 108 | 130 Ų | 130 | 70% | 0.701 | 74% | 0.741 | S | S | * | * | trans | -122.6 | -140.8 | -134.3 | 42.7 | -18.9 | 0 | 0 | 0 | 112 | ||||
| 247 | P | 51 | Low | 36.4 | Very low | 103 Ų | 103 | 131.7 Ų | 131.7 | 67% | 0.669 | 74% | 0.741 | S | S | * | * | cis | -127.9 | -138.3 | -8.6 | 28.2 | 0.6 | 0 | 0 | 0 | 112.4 | ||||
| 248 | Q | 32.7 | Very low | 36.7 | Very low | 144 Ų | 144 | 132.5 Ų | 132.5 | 67% | 0.673 | 74% | 0.735 | S | S | * | * | cis | -168 | 153.7 | 3.6 | -150.7 | 163.6 | -98.8 | 0 | 0 | 113.5 | ||||
| 249 | Q | 34.6 | Very low | 37.2 | Very low | 148 Ų | 148 | 133.8 Ų | 133.8 | 69% | 0.692 | 73% | 0.729 | S | S | * | * | trans | 60.5 | 165.5 | 152 | -87.1 | 160.7 | -18 | 0 | 0 | 120.8 | ||||
| 250 | Q | 31.4 | Very low | 37.5 | Very low | 159 Ų | 159 | 137.1 Ų | 137.1 | 74% | 0.743 | 73% | 0.732 | S | S | * | * | cis | -175.8 | -177.6 | -33.4 | -115 | -163.9 | -15.1 | 0 | 0 | 107.9 | ||||
| 251 | P | 52.9 | Low | 37.6 | Very low | 115 Ų | 115 | 134.1 Ų | 134.1 | 75% | 0.747 | 72% | 0.721 | S | S | * | * | cis | -106.4 | -121.9 | 0.4 | 18.6 | 7.1 | 0 | 0 | 0 | 112.5 | ||||
| 252 | A | 34 | Very low | 36.5 | Very low | 89 Ų | 89 | 133.5 Ų | 133.5 | 74% | 0.736 | 71% | 0.712 | S | S | * | * | cis | -166.1 | -171.5 | 0.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 253 | A | 35.1 | Very low | 35.1 | Very low | 98 Ų | 98 | 137 Ų | 137 | 81% | 0.81 | 72% | 0.715 | S | S | * | * | trans | 81.3 | -178 | 161.4 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 254 | M | 33.4 | Very low | 35.1 | Very low | 165 Ų | 165 | 138.6 Ų | 138.6 | 81% | 0.813 | 72% | 0.716 | S | S | * | * | trans | -137.2 | -156.4 | -171.3 | -59.2 | -170.2 | -69.9 | 0 | 0 | 108.7 | ||||
| 255 | S | 30.6 | Very low | 36.2 | Very low | 107 Ų | 107 | 136.7 Ų | 136.7 | 75% | 0.748 | 72% | 0.719 | S | S | * | * | cis | -170 | 166.6 | 13.8 | 26.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 256 | Q | 31.7 | Very low | 36.5 | Very low | 152 Ų | 152 | 136 Ų | 136 | 71% | 0.71 | 72% | 0.718 | S | S | * | * | cis | -174.1 | 114.1 | -20.7 | 171.7 | -179.4 | -25 | 0 | 0 | 110.4 | ||||
| 257 | M | 38.5 | Very low | 35.5 | Very low | 154 Ų | 154 | 138.4 Ų | 138.4 | 76% | 0.759 | 72% | 0.719 | S | S | * | * | trans | 67.2 | 147 | 158.4 | -59.4 | -40 | 172.5 | 0 | 0 | 120.3 | ||||
| 258 | Q | 34.1 | Very low | 34.6 | Very low | 153 Ų | 153 | 141.1 Ų | 141.1 | 72% | 0.715 | 72% | 0.723 | S | S | * | * | cis | -159.4 | 169.3 | 1.5 | -121 | 164.9 | -97.9 | 0 | 0 | 109.3 | ||||
| 259 | L | 36.8 | Very low | 35.6 | Very low | 117 Ų | 117 | 139.7 Ų | 139.7 | 61% | 0.613 | 73% | 0.727 | S | S | * | * | cis | -123.9 | -58.6 | -0.3 | -99.6 | 165.5 | 0 | 0 | 0 | 111.8 | ||||
| 260 | F | 33 | Very low | 35.9 | Very low | 165 Ų | 165 | 138.9 Ų | 138.9 | 72% | 0.724 | 73% | 0.734 | S | S | * | * | -142.3 | 168.1 | -95.9 | -115.1 | 178.6 | 0 | 0 | 0 | 108.6 | |||||
| 261 | E | 33.4 | Very low | 35.9 | Very low | 141 Ų | 141 | 135.6 Ų | 135.6 | 66% | 0.659 | 73% | 0.729 | S | S | * | * | -167.3 | 162.5 | -56.6 | -116.8 | -169.5 | -117.7 | 0 | 0 | 108.6 | |||||
| 262 | N | 29.6 | Very low | 35 | Very low | 97 Ų | 97 | 137.5 Ų | 137.5 | 52% | 0.519 | 73% | 0.728 | S | S | . | * | cis | -125 | -105.3 | -10.2 | -161.2 | -42.3 | 0 | 0 | 0 | 109.8 | Y264 | N262-Y264 WeakPolarHBondContact OD1-CD2 3.37Å; N262-Y264 WeakPolarHBondContact OD1-CE2 3.39Å | ||
| 263 | F | 28.5 | Very low | 34.8 | Very low | 189 Ų | 189 | 141.4 Ų | 141.4 | 83% | 0.829 | 73% | 0.731 | S | S | * | * | cis | -149.4 | -171.8 | -16.1 | -144.3 | -11.1 | 0 | 0 | 0 | 110.2 | ||||
| 264 | Y | 30.8 | Very low | 34.5 | Very low | 186 Ų | 186 | 140.8 Ų | 140.8 | 73% | 0.729 | 73% | 0.726 | S | S | * | * | trans | -143.5 | 172.6 | -154.1 | -86.6 | -90.4 | 0 | 0 | 0 | 114.4 | N262 | N262-Y264 WeakPolarHBondContact OD1-CD2 3.37Å; N262-Y264 WeakPolarHBondContact OD1-CE2 3.39Å | ||
| 265 | P | 48.2 | Very low | 34.3 | Very low | 114 Ų | 114 | 142 Ų | 142 | 74% | 0.74 | 73% | 0.729 | S | S | * | * | cis | -136.4 | 166.5 | 0.2 | 21.1 | 4.8 | 0 | 0 | 0 | 119.2 | ||||
| 266 | M | 32.7 | Very low | 34.1 | Very low | 153 Ų | 153 | 142.6 Ų | 142.6 | 75% | 0.754 | 72% | 0.724 | S | S | * | * | trans | 12.3 | 141.5 | 145.4 | -97.8 | -72.2 | -177.8 | 0 | 0 | 124.5 | ||||
| 267 | H | 32.7 | Very low | 34 | Very low | 157 Ų | 157 | 144.4 Ų | 144.4 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | -179.7 | 136.8 | 107.3 | -107.6 | -91 | 0 | 0 | 0 | 117.5 | |||||
| 268 | Q | 31.9 | Very low | 33.5 | Very low | 160 Ų | 160 | 140.3 Ų | 140.3 | 75% | 0.748 | 73% | 0.727 | S | S | * | * | trans | 22.7 | 160.7 | 151.1 | -76.9 | 170.2 | -30 | 0 | 0 | 128.2 | ||||
| 269 | P | 52.9 | Low | 33.3 | Very low | 115 Ų | 115 | 142 Ų | 142 | 75% | 0.747 | 74% | 0.74 | S | S | * | * | trans | -111.1 | 176.9 | -179.1 | 44.6 | -36.1 | 0 | 0 | 0 | 115.7 | ||||
| 270 | P | 42.5 | Very low | 32.8 | Very low | 130 Ų | 130 | 140.7 Ų | 140.7 | 84% | 0.844 | 75% | 0.746 | S | S | * | * | -154.6 | -167.7 | 98.2 | 43 | -23.4 | 0 | 0 | 0 | 116.9 | |||||
| 271 | S | 30.9 | Very low | 33.6 | Very low | 91 Ų | 91 | 139.2 Ų | 139.2 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | trans | -77.3 | -173.5 | -176.7 | 69.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 272 | Q | 34.1 | Very low | 33.4 | Very low | 155 Ų | 155 | 136.2 Ų | 136.2 | 72% | 0.724 | 76% | 0.76 | S | S | * | * | cis | -154.6 | -153.2 | 26.6 | -135.5 | 166.1 | 95.7 | 0 | 0 | 108.8 | ||||
| 273 | Q | 28.6 | Very low | 33.4 | Very low | 170 Ų | 170 | 135 Ų | 135 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | cis | -154.4 | -150 | 7.8 | -148.4 | 156.3 | 46.2 | 0 | 0 | 111.5 | ||||
| 274 | A | 29.8 | Very low | 34.3 | Very low | 86 Ų | 86 | 131.4 Ų | 131.4 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | trans | -153 | -174.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 275 | Q | 29.7 | Very low | 34.4 | Very low | 189 Ų | 189 | 131 Ų | 131 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | trans | 84.6 | 151.3 | 177.7 | -65 | -172.4 | -1.2 | 0 | 0 | 117.2 | ||||
| 276 | D | 26.7 | Very low | 33.5 | Very low | 120 Ų | 120 | 128.5 Ų | 128.5 | 64% | 0.642 | 77% | 0.77 | S | S | * | * | cis | -167.1 | 171 | -23.8 | -168.3 | 9.1 | 0 | 0 | 0 | 109.6 | ||||
| 277 | F | 29.5 | Very low | 33.4 | Very low | 191 Ų | 191 | 130 Ų | 130 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | trans | 63.9 | 155.5 | 177.6 | -60.4 | -93.2 | 0 | 0 | 0 | 117.4 | ||||
| 278 | G | 27 | Very low | 33.1 | Very low | 67 Ų | 67 | 126.9 Ų | 126.9 | 69% | 0.691 | 77% | 0.768 | S | S | * | * | cis | 173.4 | 144.5 | -11.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 279 | L | 29.3 | Very low | 33 | Very low | 188 Ų | 188 | 126.7 Ų | 126.7 | 98% | 0.984 | 77% | 0.767 | S | S | * | * | trans | 65.4 | 167.9 | 162.6 | -65.1 | 172.8 | 0 | 0 | 0 | 121.1 | ||||
| 280 | A | 27 | Very low | 32 | Very low | 91 Ų | 91 | 128.9 Ų | 128.9 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | trans | -126 | -163.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 281 | P | 48.9 | Very low | 31.2 | Very low | 134 Ų | 134 | 127.3 Ų | 127.3 | 87% | 0.87 | 77% | 0.769 | S | S | * | * | cis | -125.7 | -163.8 | -8 | 41 | -22.5 | 0 | 0 | 0 | 112.7 | ||||
| 282 | G | 30.3 | Very low | 31.1 | Very low | 78 Ų | 78 | 131.5 Ų | 131.5 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -150.7 | -4.1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 283 | G | 29.7 | Very low | 31 | Very low | 72 Ų | 72 | 133.7 Ų | 133.7 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | trans | 76.6 | 174.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 284 | P | 47.4 | Very low | 30.9 | Very low | 113 Ų | 113 | 132.7 Ų | 132.7 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | trans | -140.4 | 167.5 | -145.4 | 42.6 | -24.6 | 0 | 0 | 0 | 118.8 | ||||
| 285 | L | 32.9 | Very low | 31 | Very low | 177 Ų | 177 | 136.4 Ų | 136.4 | 93% | 0.927 | 79% | 0.793 | S | S | * | * | trans | 56.4 | 126.1 | 142.6 | -72.9 | 163.8 | 0 | 0 | 0 | 121.3 | ||||
| 286 | G | 29.4 | Very low | 31.1 | Very low | 61 Ų | 61 | 131.6 Ų | 131.6 | 63% | 0.629 | 79% | 0.786 | S | S | * | * | 143.9 | 123 | 112.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 287 | Q | 29.3 | Very low | 31.7 | Very low | 185 Ų | 185 | 131.2 Ų | 131.2 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | trans | 64.9 | 157 | 143.8 | -60.9 | -155.7 | 72.3 | 0 | 0 | 119.1 | ||||
| 288 | T | 27.2 | Very low | 31.7 | Very low | 92 Ų | 92 | 132.9 Ų | 132.9 | 56% | 0.564 | 79% | 0.792 | S | S | * | * | cis | -159.9 | 176.8 | -26.9 | 26.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 289 | H | 30 | Very low | 32.2 | Very low | 155 Ų | 155 | 135.2 Ų | 135.2 | 72% | 0.718 | 80% | 0.795 | S | S | * | * | trans | 78.2 | 110.5 | 156.7 | -59.4 | -60.6 | 0 | 0 | 0 | 121 | ||||
| 290 | L | 31.1 | Very low | 32.3 | Very low | 162 Ų | 162 | 135.5 Ų | 135.5 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | 40.7 | 115 | 118.1 | -60.1 | 168 | 0 | 0 | 0 | 119.7 | |||||
| 291 | A | 26.7 | Very low | 32.6 | Very low | 97 Ų | 97 | 137 Ų | 137 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | trans | -157.5 | 158.4 | 130.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 292 | H | 29.2 | Very low | 31.8 | Very low | 178 Ų | 178 | 138.4 Ų | 138.4 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | trans | -63.1 | 149.4 | 179.7 | -61 | -115.6 | 0 | 0 | 0 | 114.1 | ||||
| 293 | H | 31.2 | Very low | 32.1 | Very low | 201 Ų | 201 | 139.1 Ų | 139.1 | 93% | 0.931 | 77% | 0.771 | S | S | * | * | trans | -147.1 | 150.1 | 142.6 | -83.5 | -61.9 | 0 | 0 | 0 | 111.7 | ||||
| 294 | N | 27.4 | Very low | 32.6 | Very low | 149 Ų | 149 | 141.4 Ų | 141.4 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | trans | -151.5 | 115 | 177.1 | 178.5 | 20.8 | 0 | 0 | 0 | 108.1 | ||||
| 295 | M | 30.2 | Very low | 32.2 | Very low | 164 Ų | 164 | 143.4 Ų | 143.4 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | trans | -161.9 | 165.4 | 167.5 | -103.4 | -50.8 | 161.2 | 0 | 0 | 112.1 | ||||
| 296 | A | 32.7 | Very low | 32.7 | Very low | 89 Ų | 89 | 141.9 Ų | 141.9 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | trans | -88.1 | 168.2 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 297 | P | 38.5 | Very low | 33.9 | Very low | 111 Ų | 111 | 142.9 Ų | 142.9 | 72% | 0.721 | 76% | 0.758 | S | S | * | * | trans | -102.4 | 152.9 | -167.4 | 38.4 | -34.1 | 0 | 0 | 0 | 115.5 | ||||
| 298 | Y | 29.6 | Very low | 34.9 | Very low | 227 Ų | 227 | 138.7 Ų | 138.7 | 89% | 0.89 | 75% | 0.747 | S | S | * | * | trans | 168 | 165.2 | 150.2 | -96.9 | -60.8 | 0 | 0 | 0 | 109.2 | ||||
| 299 | P | 37.2 | Very low | 36 | Very low | 115 Ų | 115 | 141 Ų | 141 | 75% | 0.747 | 75% | 0.751 | S | S | * | * | cis | -112.8 | -172.5 | -46 | 16.4 | 6.4 | 0 | 0 | 0 | 112.4 | ||||
| 300 | F | 32.9 | Very low | 36.9 | Very low | 195 Ų | 195 | 139.5 Ų | 139.5 | 86% | 0.855 | 75% | 0.747 | S | S | * | * | trans | -76.2 | 153.4 | 179.2 | -75.6 | -93 | 0 | 0 | 0 | 115.8 | ||||
| 301 | P | 33.9 | Very low | 37.9 | Very low | 121 Ų | 121 | 137.3 Ų | 137.3 | 79% | 0.786 | 73% | 0.728 | S | S | * | * | trans | -100.5 | 170.6 | 136.4 | 35.4 | -30.2 | 0 | 0 | 0 | 112.1 | ||||
| 302 | H | 31.8 | Very low | 38.8 | Very low | 164 Ų | 164 | 141.3 Ų | 141.3 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | trans | -139.4 | 158 | -154.3 | -167.8 | 55.4 | 0 | 0 | 0 | 114.9 | ||||
| 303 | N | 35.3 | Very low | 39.7 | Very low | 94 Ų | 94 | 137 Ų | 137 | 50% | 0.503 | 72% | 0.723 | S | S | . | * | trans | 64.7 | 173.7 | 169.1 | -80.3 | -30.3 | 0 | 0 | 0 | 115.8 | R311 | N303-R311 PolarHBondContact ND2-NH2 3.44Å; N303-R311 PolarHBondContact OD1-NH2 2.79Å | ||
| 304 | P | 41.4 | Very low | 40.3 | Very low | 119 Ų | 119 | 134.3 Ų | 134.3 | 77% | 0.773 | 71% | 0.714 | S | S | * | * | cis | -131.1 | 119.7 | 2.7 | 34 | -13.9 | 0 | 0 | 0 | 115.9 | ||||
| 305 | D | 37.5 | Very low | 41.3 | Very low | 155 Ų | 155 | 134.6 Ų | 134.6 | 83% | 0.829 | 72% | 0.715 | S | S | * | * | trans | -169.7 | 95 | 132.6 | -139.3 | -17.9 | 0 | 0 | 0 | 112 | ||||
| 306 | M | 43.9 | Very low | 41.5 | Very low | 146 Ų | 146 | 134.5 Ų | 134.5 | 72% | 0.719 | 71% | 0.712 | S | S | * | * | trans | -154.9 | 134.7 | 169.4 | -90.1 | -56.7 | 146.8 | 0 | 0 | 111 | ||||
| 307 | N | 55.8 | Low | 41.5 | Very low | 82 Ų | 82 | 136.6 Ų | 136.6 | 44% | 0.439 | 71% | 0.711 | S | S | . | * | trans | -53 | 131.8 | -170.8 | 177.7 | -14.9 | 0 | 0 | 0 | 113.3 | E309 L310 | N307-E309 VanDerWaalsContact C-N 3.27Å; N307-E309 PolarHBondContact ND2-OE2 3.29Å; N307-E309 PolarHBondContact O-N 3.14Å; N307-E309 WeakPolarHBondContact OD1-CB 3.49Å; N307-E309 WeakPolarHBondContact OD1-CG 3.43Å; N307-E309 PolarHBondContact OD1-N 3.18Å; N307-E309 PolarHBondContact OD1-OE2 3.22Å; N307-L310 PolarHBondContact O-N 2.84Å | ||
| 308 | P | 50.2 | Low | 41.1 | Very low | 97 Ų | 97 | 136.3 Ų | 136.3 | 63% | 0.63 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -60.4 | -24.7 | 177.9 | 25.6 | -36.9 | 0 | 0 | 0 | 115.7 | L310 R311 K312 | P308-L310 VanDerWaalsContact C-N 3.34Å; P308-L310 PolarHBondContact O-N 3.27Å; P308-R311 PolarHBondContact O-N 3.47Å; P308-K312 PolarHBondContact O-N 2.98Å |
| 309 | E | 49.8 | Very low | 41.1 | Very low | 141 Ų | 141 | 129.9 Ų | 129.9 | 66% | 0.659 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -64.5 | -39.2 | -178.7 | -64.5 | 171.3 | 130 | 0 | 0 | 111.7 | N307 R311 K312 | N307-E309 VanDerWaalsContact C-N 3.27Å; N307-E309 PolarHBondContact ND2-OE2 3.29Å; N307-E309 PolarHBondContact O-N 3.14Å; N307-E309 WeakPolarHBondContact OD1-CB 3.49Å; N307-E309 WeakPolarHBondContact OD1-CG 3.43Å; N307-E309 PolarHBondContact OD1-N 3.18Å; N307-E309 PolarHBondContact OD1-OE2 3.22Å; E309-R311 PolarHBondContact O-N 3.46Å; E309-K312 PolarHBondContact O-N 3.26Å; E309-K312 VanDerWaalsContact O-N 3.14Å |
| 310 | L | 48.6 | Very low | 41.1 | Very low | 122 Ų | 122 | 130.6 Ų | 130.6 | 64% | 0.639 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -67.3 | -23.8 | 177.7 | -156.7 | 75.4 | 0 | 0 | 0 | 112.4 | N307 P308 | N307-L310 PolarHBondContact O-N 2.84Å; P308-L310 VanDerWaalsContact C-N 3.34Å; P308-L310 PolarHBondContact O-N 3.27Å |
| 311 | R | 51.9 | Low | 40.9 | Very low | 116 Ų | 116 | 129 Ų | 129 | 44% | 0.438 | 71% | 0.706 | S | S | . | * | H | α-helix | trans | -76.2 | -26.2 | 174.6 | -78.5 | -178.2 | 159.6 | 110.4 | -5.9 | 112.9 | N303 P308 E309 | N303-R311 PolarHBondContact ND2-NH2 3.44Å; N303-R311 PolarHBondContact OD1-NH2 2.79Å; P308-R311 PolarHBondContact O-N 3.47Å; E309-R311 PolarHBondContact O-N 3.46Å |
| 312 | K | 46.2 | Very low | 40.9 | Very low | 182 Ų | 182 | 129 Ų | 129 | 79% | 0.791 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -73.9 | -29.6 | 176 | -78.9 | -170.8 | 172.5 | -176.4 | 0 | 113.4 | P308 E309 L314 | P308-K312 PolarHBondContact O-N 2.98Å; E309-K312 PolarHBondContact O-N 3.26Å; E309-K312 VanDerWaalsContact O-N 3.14Å; K312-L314 PolarHBondContact O-N 3.26Å |
| 313 | A | 48 | Very low | 40.7 | Very low | 88 Ų | 88 | 127.4 Ų | 127.4 | 73% | 0.727 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | 0 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 314 | L | 43.2 | Very low | 40.3 | Very low | 143 Ų | 143 | 130.7 Ų | 130.7 | 75% | 0.749 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121 | 9.9 | -166.4 | -106 | 161.2 | 0 | 0 | 0 | 114.3 | K312 | K312-L314 PolarHBondContact O-N 3.26Š|
| 315 | L | 47.8 | Very low | 40 | Very low | 155 Ų | 155 | 130.5 Ų | 130.5 | 81% | 0.812 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -144.9 | 23.9 | -164 | -116.4 | 165 | 0 | 0 | 0 | 115.4 | ||
| 316 | Q | 36.3 | Very low | 39.5 | Very low | 162 Ų | 162 | 132.5 Ų | 132.5 | 76% | 0.757 | 73% | 0.727 | S | S | * | * | trans | -126.1 | 100.7 | -180 | -175.8 | 101 | 73 | 0 | 0 | 110.6 | ||||
| 317 | D | 31.5 | Very low | 39.1 | Very low | 133 Ų | 133 | 130.2 Ų | 130.2 | 71% | 0.711 | 72% | 0.723 | S | S | * | * | trans | 48.8 | 149.5 | 152.2 | -57.8 | -56.3 | 0 | 0 | 0 | 121.2 | ||||
| 318 | S | 29.7 | Very low | 37.8 | Very low | 105 Ų | 105 | 135.2 Ų | 135.2 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | cis | -165.9 | 162.4 | -22.5 | 56.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 319 | A | 30.3 | Very low | 36.7 | Very low | 93 Ų | 93 | 138.7 Ų | 138.7 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | trans | -70 | 161.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 320 | P | 36.4 | Very low | 35.5 | Very low | 129 Ų | 129 | 136.5 Ų | 136.5 | 84% | 0.838 | 76% | 0.759 | S | S | * | * | -139.3 | 174.8 | 63.3 | 36.2 | -16.9 | 0 | 0 | 0 | 117.5 | |||||
| 321 | Q | 30.3 | Very low | 34.6 | Very low | 162 Ų | 162 | 139.7 Ų | 139.7 | 76% | 0.757 | 77% | 0.768 | S | S | * | * | trans | -62.9 | 164.5 | 169.7 | -74.2 | -72.4 | -5.1 | 0 | 0 | 112.6 | ||||
| 322 | P | 32.8 | Very low | 33.6 | Very low | 121 Ų | 121 | 140.2 Ų | 140.2 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | cis | -137.7 | 170.9 | 30.9 | 42.1 | -24.5 | 0 | 0 | 0 | 118 | ||||
| 323 | V | 27.1 | Very low | 32.8 | Very low | 130 Ų | 130 | 143.5 Ų | 143.5 | 79% | 0.788 | 79% | 0.794 | S | S | * | * | trans | -123.5 | 123.3 | 170.4 | 178.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 324 | L | 28.6 | Very low | 32.1 | Very low | 164 Ų | 164 | 150.9 Ų | 150.9 | 86% | 0.859 | 80% | 0.803 | S | S | * | * | trans | -90.9 | 140.1 | 171.7 | -112.9 | 138.4 | 0 | 0 | 0 | 110.4 | ||||
| 325 | P | 34.6 | Very low | 31.4 | Very low | 114 Ų | 114 | 149.9 Ų | 149.9 | 74% | 0.74 | 81% | 0.808 | S | S | * | * | trans | -96.5 | 114.5 | -174.4 | 34.2 | -32.8 | 0 | 0 | 0 | 113.9 | ||||
| 326 | Q | 27.2 | Very low | 30.7 | Very low | 197 Ų | 197 | 153 Ų | 153 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | trans | -157.5 | 164.3 | 151.2 | -96.7 | -138.4 | -35 | 0 | 0 | 112.1 | ||||
| 327 | P | 35.9 | Very low | 30.6 | Very low | 98 Ų | 98 | 155.8 Ų | 155.8 | 64% | 0.636 | 81% | 0.813 | S | S | * | * | trans | -117.1 | 172.7 | -148.5 | 42.2 | -34.8 | 0 | 0 | 0 | 115.2 | ||||
| 328 | Q | 27 | Very low | 30.5 | Very low | 188 Ų | 188 | 157.5 Ų | 157.5 | 88% | 0.879 | 82% | 0.821 | S | S | * | * | -164.4 | 169.9 | 120.9 | -109.4 | 175.4 | 60.4 | 0 | 0 | 115 | |||||
| 329 | M | 27.3 | Very low | 30.5 | Very low | 169 Ų | 169 | 158 Ų | 158 | 83% | 0.833 | 82% | 0.824 | S | S | * | * | trans | -88.9 | 153.9 | -157.3 | -50.3 | 163.9 | -156.9 | 0 | 0 | 114.2 | ||||
| 330 | A | 24.8 | Very low | 30.5 | Very low | 95 Ų | 95 | 161.3 Ų | 161.3 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | trans | -133.2 | 148 | 156.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 331 | F | 29.3 | Very low | 30.1 | Very low | 189 Ų | 189 | 162.4 Ų | 162.4 | 83% | 0.829 | 82% | 0.816 | S | S | * | * | trans | -94.4 | 133.4 | -163.7 | -63 | -99.8 | 0 | 0 | 0 | 114.4 | ||||
| 332 | P | 32.3 | Very low | 30.1 | Very low | 127 Ų | 127 | 158.4 Ų | 158.4 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | -83.9 | 115.4 | 162.3 | 31.6 | -30.7 | 0 | 0 | 0 | 111.4 | ||||
| 333 | R | 29.4 | Very low | 29.9 | Very low | 251 Ų | 251 | 160.7 Ų | 160.7 | 95% | 0.947 | 82% | 0.821 | S | S | * | * | trans | -86.5 | 137.4 | 166.2 | -84.3 | -167.6 | 173.6 | -147.6 | 0.7 | 111.2 | ||||
| 334 | R | 32.3 | Very low | 29.9 | Very low | 244 Ų | 244 | 162.4 Ų | 162.4 | 92% | 0.921 | 83% | 0.825 | S | S | * | * | trans | -77.3 | 155 | -176.1 | -63.3 | 177.7 | 172.7 | -171.2 | -5 | 113.8 | ||||
| 335 | S | 28.4 | Very low | 30.3 | Very low | 122 Ų | 122 | 159.7 Ų | 159.7 | 85% | 0.853 | 82% | 0.817 | S | S | * | * | trans | -122.1 | 171.1 | 138.7 | -164.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 336 | R | 33.1 | Very low | 29.9 | Very low | 220 Ų | 220 | 160 Ų | 160 | 83% | 0.83 | 82% | 0.823 | S | S | * | * | trans | -104.3 | 163.6 | -174.5 | -66.6 | 167.9 | 144.9 | 172.1 | -8.3 | 109.9 | ||||
| 337 | R | 34 | Very low | 29.9 | Very low | 221 Ų | 221 | 158.2 Ų | 158.2 | 83% | 0.834 | 82% | 0.819 | S | S | * | * | cis | -156.8 | 134.1 | 37 | -65.9 | 168.5 | 172.4 | -103.8 | 1.9 | 114.6 | ||||
| 338 | L | 30.5 | Very low | 29.7 | Very low | 169 Ų | 169 | 157.9 Ų | 157.9 | 89% | 0.885 | 83% | 0.825 | S | S | * | * | trans | 26.8 | 108.5 | 134.6 | -63.6 | 168.7 | 0 | 0 | 0 | 121.7 | ||||
| 339 | S | 29.3 | Very low | 29.9 | Very low | 114 Ų | 114 | 156.4 Ų | 156.4 | 80% | 0.797 | 82% | 0.822 | S | S | * | * | -151 | 115.2 | 124.4 | 51.6 | 0 | 0 | 0 | 0 | 106.6 | |||||
| 340 | K | 29.1 | Very low | 30 | Very low | 164 Ų | 164 | 155.2 Ų | 155.2 | 71% | 0.713 | 82% | 0.819 | S | S | * | * | 83.6 | 127.3 | 74.5 | -150.1 | -161.7 | 178.7 | -69.4 | 0 | 111.2 | |||||
| 341 | E | 29.3 | Very low | 30 | Very low | 152 Ų | 152 | 154.1 Ų | 154.1 | 71% | 0.71 | 82% | 0.818 | S | S | * | * | trans | 59.3 | 140.4 | -169 | -76.4 | 63.8 | -103 | 0 | 0 | 116.3 | ||||
| 342 | G | 29.6 | Very low | 29.9 | Very low | 78 Ų | 78 | 150.2 Ų | 150.2 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | 146.3 | 88.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 343 | I | 29.7 | Very low | 29.5 | Very low | 168 Ų | 168 | 147.4 Ų | 147.4 | 86% | 0.862 | 81% | 0.814 | S | S | * | * | trans | -90.8 | 134.8 | 173.2 | -62.7 | 163 | 0 | 0 | 0 | 108.3 | ||||
| 344 | L | 27.1 | Very low | 29.4 | Very low | 166 Ų | 166 | 142.4 Ų | 142.4 | 87% | 0.869 | 81% | 0.811 | S | S | * | * | trans | -140.7 | 152.9 | 167.3 | -79.1 | -179.1 | 0 | 0 | 0 | 110.4 | ||||
| 345 | P | 35.5 | Very low | 29.2 | Very low | 107 Ų | 107 | 138.7 Ų | 138.7 | 70% | 0.695 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -86 | 166.4 | -162.9 | 34.7 | -37.7 | 0 | 0 | 0 | 114.4 | ||
| 346 | S | 27.2 | Very low | 29.7 | Very low | 122 Ų | 122 | 138.8 Ų | 138.8 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 119.8 | 163.4 | -58 | 0 | 0 | 0 | 0 | 110.2 | ||
| 347 | N | 27 | Very low | 29.4 | Very low | 158 Ų | 158 | 131.5 Ų | 131.5 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 137.2 | 158.5 | -85.4 | 11.5 | 0 | 0 | 0 | 109.4 | ||
| 348 | A | 31.1 | Very low | 29.1 | Very low | 91 Ų | 91 | 130.8 Ų | 130.8 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | trans | -109.7 | 143.5 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 349 | L | 30.6 | Very low | 29 | Very low | 158 Ų | 158 | 131.2 Ų | 131.2 | 83% | 0.827 | 80% | 0.799 | S | S | * | * | trans | -163.5 | 155.2 | 162.9 | -122 | 59.6 | 0 | 0 | 0 | 104.6 | ||||
| 350 | D | 30.3 | Very low | 29.5 | Very low | 143 Ų | 143 | 130.2 Ų | 130.2 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | cis | -150.2 | 168.1 | 23.2 | -141.2 | -40.8 | 0 | 0 | 0 | 112.4 | ||||
| 351 | G | 25.2 | Very low | 29.6 | Very low | 73 Ų | 73 | 129 Ų | 129 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | trans | 161.4 | 73.8 | 177 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 352 | A | 26.4 | Very low | 29.4 | Very low | 106 Ų | 106 | 125.5 Ų | 125.5 | 88% | 0.876 | 80% | 0.801 | S | S | * | * | trans | -81.2 | 170.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 353 | G | 24.5 | Very low | 29.4 | Very low | 68 Ų | 68 | 129.5 Ų | 129.5 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | cis | -142.8 | -162.5 | 4.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 354 | T | 27.5 | Very low | 29.4 | Very low | 146 Ų | 146 | 128.7 Ų | 128.7 | 90% | 0.896 | 80% | 0.801 | S | S | * | * | cis | -158.7 | 159.2 | 49.8 | -53.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 355 | Q | 28.3 | Very low | 29.5 | Very low | 166 Ų | 166 | 128.1 Ų | 128.1 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | -89.3 | -179.7 | 176.9 | -80.3 | -72.5 | -6.7 | 0 | 0 | 111.6 | ||||
| 356 | P | 38.5 | Very low | 29.2 | Very low | 125 Ų | 125 | 130.2 Ų | 130.2 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | cis | -140.3 | 174.5 | 19.2 | 43.4 | -24.5 | 0 | 0 | 0 | 118.5 | ||||
| 357 | G | 26.9 | Very low | 29.5 | Very low | 66 Ų | 66 | 132.8 Ų | 132.8 | 68% | 0.68 | 79% | 0.794 | S | S | * | * | trans | 176.6 | 82.5 | 166 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 358 | Q | 27.8 | Very low | 29.7 | Very low | 206 Ų | 206 | 130.8 Ų | 130.8 | 96% | 0.963 | 79% | 0.79 | S | S | * | * | trans | 60.9 | 148.4 | 157.8 | -73.1 | -176 | -23.4 | 0 | 0 | 122.7 | ||||
| 359 | E | 27.2 | Very low | 29.7 | Very low | 178 Ų | 178 | 138 Ų | 138 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | -103.8 | -177.6 | 173 | -114.2 | -157.2 | 115 | 0 | 0 | 109.7 | ||||
| 360 | P | 41.2 | Very low | 29.7 | Very low | 94 Ų | 94 | 135.5 Ų | 135.5 | 61% | 0.61 | 79% | 0.791 | S | S | * | * | cis | -137 | -169.1 | 6.8 | 38 | -17.1 | 0 | 0 | 0 | 116.1 | ||||
| 361 | T | 29.9 | Very low | 29.6 | Very low | 138 Ų | 138 | 137 Ų | 137 | 85% | 0.847 | 80% | 0.798 | S | S | * | * | trans | 71.5 | 132.2 | 153.7 | 43.3 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 362 | G | 26.9 | Very low | 29.7 | Very low | 79 Ų | 79 | 142.7 Ų | 142.7 | 81% | 0.814 | 81% | 0.805 | S | S | * | * | trans | 140 | 71.5 | 159.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 363 | N | 28.3 | Very low | 29.8 | Very low | 161 Ų | 161 | 146.1 Ų | 146.1 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | trans | -76.2 | 145.2 | 163.2 | -78.3 | -75.1 | 0 | 0 | 0 | 110.4 | ||||
| 364 | L | 31 | Very low | 30.3 | Very low | 151 Ų | 151 | 148.5 Ų | 148.5 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | 175.1 | 115.5 | 128.8 | -92.9 | 177.7 | 0 | 0 | 0 | 113.4 | |||||
| 365 | F | 28.9 | Very low | 30.7 | Very low | 155 Ų | 155 | 147 Ų | 147 | 68% | 0.68 | 80% | 0.799 | S | S | * | * | trans | 54.8 | 126.8 | 136.1 | -81.5 | -119.4 | 0 | 0 | 0 | 123.9 | ||||
| 366 | L | 29.2 | Very low | 31.1 | Very low | 150 Ų | 150 | 143.6 Ų | 143.6 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | 71.4 | 124.4 | 143.1 | -62.7 | 172.5 | 0 | 0 | 0 | 121.6 | ||||
| 367 | H | 32 | Very low | 30.6 | Very low | 177 Ų | 177 | 138.6 Ų | 138.6 | 82% | 0.819 | 76% | 0.762 | S | S | * | * | trans | -74.1 | 153.2 | 160.3 | -49.7 | -73.7 | 0 | 0 | 0 | 111 | ||||
| 368 | P | 32.1 | Very low | 30.8 | Very low | 116 Ų | 116 | 140 Ų | 140 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | -140.5 | 162.5 | 81.1 | 38.3 | -24.1 | 0 | 0 | 0 | 115.5 | P370 | P368-P370 WeakPolarHBondContact O-CD 3.44Š| |||
| 369 | W | 30.3 | Very low | 30.9 | Very low | 243 Ų | 243 | 138.7 Ų | 138.7 | 92% | 0.92 | 76% | 0.76 | S | S | * | * | trans | -84 | 133 | 169 | -87.2 | 74.3 | 0 | 0 | 0 | 112 | ||||
| 370 | P | 32 | Very low | 30.8 | Very low | 104 Ų | 104 | 133.4 Ų | 133.4 | 68% | 0.675 | 75% | 0.754 | S | S | * | * | trans | -120.5 | 169 | 149 | 37.6 | -28.6 | 0 | 0 | 0 | 112.5 | P368 | P368-P370 WeakPolarHBondContact O-CD 3.44Š| ||
| 371 | L | 27.2 | Very low | 30.2 | Very low | 176 Ų | 176 | 136.8 Ų | 136.8 | 92% | 0.921 | 76% | 0.762 | S | S | * | * | trans | -61.7 | 148.4 | 174.9 | -82.9 | 61.6 | 0 | 0 | 0 | 111.7 | ||||
| 372 | Q | 28.7 | Very low | 30.7 | Very low | 191 Ų | 191 | 135.8 Ų | 135.8 | 89% | 0.893 | 76% | 0.758 | S | S | * | * | trans | -119.8 | 123.4 | 171 | -170.4 | 168 | 86.3 | 0 | 0 | 111.1 | ||||
| 373 | Q | 28.5 | Very low | 30.6 | Very low | 179 Ų | 179 | 139.2 Ų | 139.2 | 84% | 0.836 | 75% | 0.752 | S | S | * | * | trans | -107.9 | 160.9 | 162.1 | -85.6 | -172.1 | -10.8 | 0 | 0 | 109 | ||||
| 374 | P | 33.7 | Very low | 31.3 | Very low | 117 Ų | 117 | 136.6 Ų | 136.6 | 76% | 0.76 | 74% | 0.744 | S | S | * | * | trans | -85.9 | 158.8 | -158.8 | 33.2 | -37.2 | 0 | 0 | 0 | 115.3 | ||||
| 375 | P | 36 | Very low | 31.2 | Very low | 115 Ų | 115 | 136.8 Ų | 136.8 | 75% | 0.747 | 74% | 0.741 | S | S | * | * | trans | -85.6 | 158.8 | 175 | 35.2 | -35.5 | 0 | 0 | 0 | 113.9 | ||||
| 376 | P | 36.3 | Very low | 31.1 | Very low | 94 Ų | 94 | 132.5 Ų | 132.5 | 61% | 0.61 | 73% | 0.734 | S | S | * | * | trans | -88 | -178.1 | 175.5 | 37.8 | -36.6 | 0 | 0 | 0 | 113.4 | ||||
| 377 | G | 29.5 | Very low | 31.1 | Very low | 20 Ų | 20 | 133.8 Ų | 133.8 | 21% | 0.206 | 74% | 0.741 | C | S | . | * | trans | -147 | -167.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | A406 | G377-A406 CarbonylContact C-O 3.57Å; G377-A406 WeakPolarHBondContact CA-O 3.48Å; G377-A406 PolarHBondContact N-O 3.18Å | ||
| 378 | S | 29.8 | Very low | 30.9 | Very low | 97 Ų | 97 | 129.2 Ų | 129.2 | 68% | 0.678 | 74% | 0.741 | S | S | * | * | trans | -177.3 | 153.1 | -177.1 | 52.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 379 | L | 29.3 | Very low | 30.6 | Very low | 177 Ų | 177 | 133.4 Ų | 133.4 | 93% | 0.927 | 75% | 0.748 | S | S | * | * | cis | -170.6 | 142 | -18 | 172.2 | 148 | 0 | 0 | 0 | 107.6 | ||||
| 380 | G | 25.3 | Very low | 30.9 | Very low | 68 Ų | 68 | 127.4 Ų | 127.4 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | trans | -179 | 146.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 381 | Q | 28.5 | Very low | 30.6 | Very low | 164 Ų | 164 | 129.5 Ų | 129.5 | 77% | 0.766 | 75% | 0.745 | S | S | * | * | trans | -152.5 | 160.3 | -178.7 | -100.2 | -102 | -36 | 0 | 0 | 107.5 | ||||
| 382 | P | 41.5 | Very low | 30.6 | Very low | 118 Ų | 118 | 128.6 Ų | 128.6 | 77% | 0.766 | 74% | 0.736 | S | S | * | * | cis | -139 | -174.2 | 36.9 | 40.1 | -19.8 | 0 | 0 | 0 | 117.8 | ||||
| 383 | H | 25.1 | Very low | 30.6 | Very low | 151 Ų | 151 | 125.8 Ų | 125.8 | 70% | 0.699 | 73% | 0.726 | S | S | * | * | trans | -74.8 | 175.2 | 174.6 | -120.7 | -123.3 | 0 | 0 | 0 | 113.3 | ||||
| 384 | P | 43.6 | Very low | 30.5 | Very low | 105 Ų | 105 | 127 Ų | 127 | 68% | 0.682 | 72% | 0.723 | S | S | * | * | cis | -134.2 | -151.6 | 15.9 | 41.1 | -17.9 | 0 | 0 | 0 | 113.8 | ||||
| 385 | E | 27.1 | Very low | 30 | Very low | 155 Ų | 155 | 128.2 Ų | 128.2 | 72% | 0.724 | 72% | 0.719 | S | S | * | * | cis | -159.8 | 173.6 | 7.6 | -136.8 | -36.7 | 70.9 | 0 | 0 | 113.5 | ||||
| 386 | A | 28.6 | Very low | 29.6 | Very low | 66 Ų | 66 | 126.8 Ų | 126.8 | 55% | 0.545 | 71% | 0.712 | S | S | . | * | trans | 65 | 99.8 | 145.6 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 387 | L | 28.8 | Very low | 29.1 | Very low | 177 Ų | 177 | 130.3 Ų | 130.3 | 93% | 0.927 | 72% | 0.72 | S | S | * | * | 44.7 | 122.6 | 130 | -54.4 | 176.7 | 0 | 0 | 0 | 122.8 | |||||
| 388 | G | 26.8 | Very low | 29 | Very low | 80 Ų | 80 | 136.7 Ų | 136.7 | 83% | 0.825 | 75% | 0.749 | S | S | * | * | trans | 131.7 | 125.5 | 140.1 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 389 | F | 26.9 | Very low | 28.8 | Very low | 204 Ų | 204 | 140 Ų | 140 | 90% | 0.895 | 76% | 0.758 | S | S | * | * | trans | -108 | 164.1 | 165.6 | -82.6 | -75.1 | 0 | 0 | 0 | 109.4 | ||||
| 390 | P | 36.6 | Very low | 28.6 | Very low | 117 Ų | 117 | 135.9 Ų | 135.9 | 76% | 0.76 | 75% | 0.749 | S | S | * | * | cis | -142 | -166.8 | 30.2 | 42.5 | -21.3 | 0 | 0 | 0 | 117.6 | ||||
| 391 | L | 25.9 | Very low | 28.6 | Very low | 149 Ų | 149 | 141 Ų | 141 | 78% | 0.78 | 76% | 0.76 | S | S | * | * | trans | -43.3 | 143.3 | -179.6 | -76.4 | 62.9 | 0 | 0 | 0 | 115.4 | ||||
| 392 | E | 27 | Very low | 28.6 | Very low | 156 Ų | 156 | 137 Ų | 137 | 73% | 0.729 | 76% | 0.764 | S | S | * | * | -168 | 160.1 | 82.6 | -118.6 | -72.4 | 73.9 | 0 | 0 | 114.6 | |||||
| 393 | L | 27.5 | Very low | 27.8 | Very low | 132 Ų | 132 | 138.8 Ų | 138.8 | 69% | 0.691 | 76% | 0.762 | S | S | * | * | trans | 47.5 | 126.2 | 153.5 | -138 | 81.7 | 0 | 0 | 0 | 124.3 | ||||
| 394 | R | 26 | Very low | 27.8 | Very low | 205 Ų | 205 | 140.7 Ų | 140.7 | 77% | 0.774 | 76% | 0.763 | S | S | * | * | trans | 96.7 | 119.6 | 134.7 | -137.5 | -179.7 | 164.7 | 179.7 | -9.8 | 122.8 | ||||
| 395 | E | 24.7 | Very low | 27 | Very low | 143 Ų | 143 | 140.5 Ų | 140.5 | 67% | 0.668 | 76% | 0.756 | S | S | * | * | trans | 53.6 | 128.4 | 148.9 | -79.4 | -178.9 | 90.6 | 0 | 0 | 124.7 | ||||
| 396 | S | 26.3 | Very low | 27.2 | Very low | 85 Ų | 85 | 136.7 Ų | 136.7 | 59% | 0.594 | 75% | 0.75 | S | S | * | * | trans | 105.4 | 106.3 | 134 | -73 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 397 | Q | 25.6 | Very low | 27.5 | Very low | 168 Ų | 168 | 137.5 Ų | 137.5 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | 62.6 | 104.6 | 128.1 | -54.2 | 176.7 | 22.4 | 0 | 0 | 120.5 | |||||
| 398 | L | 27.8 | Very low | 27.4 | Very low | 154 Ų | 154 | 136.1 Ų | 136.1 | 81% | 0.806 | 74% | 0.744 | S | S | * | * | 169.7 | 141 | 101.8 | -87.4 | 174.9 | 0 | 0 | 0 | 114.9 | |||||
| 399 | L | 25.2 | Very low | 27.5 | Very low | 166 Ų | 166 | 135.7 Ų | 135.7 | 87% | 0.869 | 74% | 0.74 | S | S | * | * | trans | 15.5 | 147.7 | 153.6 | -71.3 | 167.1 | 0 | 0 | 0 | 125.3 | ||||
| 400 | A | 25.9 | Very low | 27.6 | Very low | 90 Ų | 90 | 135.9 Ų | 135.9 | 74% | 0.744 | 73% | 0.734 | S | S | * | * | trans | 112.3 | 108 | 137.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 401 | D | 25.3 | Very low | 27.1 | Very low | 175 Ų | 175 | 135.8 Ų | 135.8 | 94% | 0.936 | 72% | 0.724 | S | S | * | * | trans | 6.6 | 143.9 | 149 | -52.4 | -41.9 | 0 | 0 | 0 | 123.5 | ||||
| 402 | G | 27.6 | Very low | 27.2 | Very low | 82 Ų | 82 | 136.6 Ų | 136.6 | 85% | 0.845 | 72% | 0.716 | S | S | * | * | trans | 177 | 141.4 | 163.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 403 | E | 25.2 | Very low | 27.1 | Very low | 155 Ų | 155 | 136.5 Ų | 136.5 | 72% | 0.724 | 72% | 0.716 | S | S | * | * | trans | -109.8 | 147.7 | -173.4 | -93.7 | -158.9 | 109.1 | 0 | 0 | 115.2 | ||||
| 404 | R | 25.9 | Very low | 26.9 | Very low | 191 Ų | 191 | 134.1 Ų | 134.1 | 72% | 0.721 | 72% | 0.716 | S | S | * | * | trans | 84.6 | 134.8 | 134.5 | -87.3 | -179.1 | -157.3 | -90.4 | -17.4 | 125.3 | ||||
| 405 | L | 26.1 | Very low | 27.9 | Very low | 101 Ų | 101 | 130.2 Ų | 130.2 | 53% | 0.529 | 72% | 0.716 | S | S | . | * | trans | 85.4 | 132 | 139 | -68.6 | 167.9 | 0 | 0 | 0 | 121.7 | ||||
| 406 | A | 32.7 | Very low | 28.5 | Very low | 74 Ų | 74 | 128.7 Ų | 128.7 | 61% | 0.612 | 72% | 0.719 | S | S | * | * | trans | -99.1 | 177.5 | 162 | 0 | 0 | 0 | 0 | 0 | 110.7 | G377 | G377-A406 CarbonylContact C-O 3.57Å; G377-A406 WeakPolarHBondContact CA-O 3.48Å; G377-A406 PolarHBondContact N-O 3.18Å | ||
| 407 | P | 34.4 | Very low | 28.5 | Very low | 84 Ų | 84 | 132.4 Ų | 132.4 | 55% | 0.545 | 73% | 0.729 | S | S | . | * | -148.5 | 141.5 | 113.6 | 38.4 | -23.9 | 0 | 0 | 0 | 117.8 | |||||
| 408 | N | 26.6 | Very low | 28.6 | Very low | 147 Ų | 147 | 127.2 Ų | 127.2 | 79% | 0.786 | 72% | 0.721 | S | S | * | * | trans | 17.4 | 136 | 138.5 | -60.8 | -29.7 | 0 | 0 | 0 | 122.9 | ||||
| 409 | G | 28.2 | Very low | 28.6 | Very low | 72 Ų | 72 | 125.5 Ų | 125.5 | 74% | 0.742 | 71% | 0.712 | S | S | * | * | trans | 133.3 | 152.8 | 131.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 410 | R | 28.7 | Very low | 28.7 | Very low | 207 Ų | 207 | 126 Ų | 126 | 78% | 0.781 | 71% | 0.71 | S | S | * | * | cis | -172.4 | 163.3 | -10.6 | -136.5 | 177.1 | 172.6 | -129.9 | 11.4 | 109.6 | ||||
| 411 | E | 25.9 | Very low | 28.8 | Very low | 115 Ų | 115 | 130.6 Ų | 130.6 | 54% | 0.537 | 72% | 0.716 | S | S | . | * | trans | 70.9 | 158.4 | 146.6 | -85 | 176.9 | 126.2 | 0 | 0 | 118.8 | ||||
| 412 | R | 28 | Very low | 29.1 | Very low | 166 Ų | 166 | 125.8 Ų | 125.8 | 63% | 0.626 | 70% | 0.701 | S | S | * | * | cis | -168.9 | 149.5 | 0.4 | 144.3 | 179 | -77.2 | -101.3 | -2.4 | 115.2 | ||||
| 413 | E | 24.7 | Very low | 29.1 | Very low | 155 Ų | 155 | 128.7 Ų | 128.7 | 72% | 0.724 | 69% | 0.694 | S | S | * | * | trans | 68.3 | 159.3 | 152.1 | -82.7 | 159.1 | 176.3 | 0 | 0 | 126.2 | ||||
| 414 | A | 23.5 | Very low | 29.4 | Very low | 82 Ų | 82 | 131.8 Ų | 131.8 | 68% | 0.678 | 70% | 0.699 | S | S | * | * | trans | -148.1 | -144.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 415 | P | 47.2 | Very low | 29.4 | Very low | 122 Ų | 122 | 127.9 Ų | 127.9 | 79% | 0.792 | 71% | 0.708 | S | S | * | * | cis | -137.5 | 18.5 | -19.3 | 45 | -26.2 | 0 | 0 | 0 | 118.1 | ||||
| 416 | P | 38.7 | Very low | 29.3 | Very low | 111 Ų | 111 | 127 Ų | 127 | 72% | 0.721 | 72% | 0.723 | S | S | * | * | trans | -102.4 | 157.5 | -146.2 | 31.9 | -17.7 | 0 | 0 | 0 | 116 | ||||
| 417 | M | 25.9 | Very low | 28.9 | Very low | 163 Ų | 163 | 127.3 Ų | 127.3 | 80% | 0.803 | 73% | 0.734 | S | S | * | * | cis | -168.7 | 157.1 | -18.9 | -126 | -62 | -71 | 0 | 0 | 111.1 | N419 | M417-N419 WeakPolarHBondContact CE-OD1 3.38Š| ||
| 418 | G | 27.7 | Very low | 28.5 | Very low | 59 Ų | 59 | 132.2 Ų | 132.2 | 61% | 0.608 | 75% | 0.754 | S | S | * | * | trans | 92.7 | 154.9 | 153.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 419 | N | 27.1 | Very low | 28.5 | Very low | 119 Ų | 119 | 128.6 Ų | 128.6 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | cis | -155.5 | 129 | -4.6 | -122 | 39.8 | 0 | 0 | 0 | 110 | M417 | M417-N419 WeakPolarHBondContact CE-OD1 3.38Š| ||
| 420 | E | 27.3 | Very low | 28.3 | Very low | 175 Ų | 175 | 132.7 Ų | 132.7 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | 86.8 | 172.7 | 97.1 | -78.2 | -158 | 97.8 | 0 | 0 | 115.8 | |||||
| 421 | E | 28.1 | Very low | 28.2 | Very low | 187 Ų | 187 | 128.4 Ų | 128.4 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | trans | -137.2 | -173.7 | -138.6 | -143.6 | -170.1 | 108.8 | 0 | 0 | 114.8 | ||||
| 422 | A | 31.2 | Very low | 28.1 | Very low | 75 Ų | 75 | 126.3 Ų | 126.3 | 62% | 0.62 | 77% | 0.766 | S | S | * | * | trans | 83.1 | 161.7 | 163 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 423 | M | 28.9 | Very low | 28.2 | Very low | 142 Ų | 142 | 127.3 Ų | 127.3 | 70% | 0.7 | 78% | 0.778 | S | S | * | * | cis | -152 | 142.3 | 10.5 | -158.3 | 168.6 | -79.4 | 0 | 0 | 116.1 | ||||
| 424 | R | 30.5 | Very low | 28.2 | Very low | 221 Ų | 221 | 127.9 Ų | 127.9 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | trans | 27.7 | 142.1 | 151.7 | -66.8 | -173.5 | -80.1 | -167 | -6.8 | 124 | ||||
| 425 | A | 25 | Very low | 28.5 | Very low | 108 Ų | 108 | 131.6 Ų | 131.6 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | -142.9 | 168 | 129.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 426 | G | 24.3 | Very low | 27.6 | Very low | 82 Ų | 82 | 137.6 Ų | 137.6 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | trans | -167 | 171.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 427 | G | 24.3 | Very low | 27 | Very low | 82 Ų | 82 | 136.2 Ų | 136.2 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | trans | -173.5 | 160.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 428 | L | 27.3 | Very low | 27.2 | Very low | 187 Ų | 187 | 131.9 Ų | 131.9 | 98% | 0.979 | 80% | 0.8 | S | S | * | * | trans | -148.8 | 148.8 | -166.3 | -172.1 | 73.7 | 0 | 0 | 0 | 113.5 | ||||
| 429 | G | 25.6 | Very low | 27.2 | Very low | 70 Ų | 70 | 135.1 Ų | 135.1 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | trans | 114 | 153.3 | 162.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 430 | D | 24.6 | Very low | 27.6 | Very low | 159 Ų | 159 | 136.8 Ų | 136.8 | 85% | 0.85 | 81% | 0.814 | S | S | * | * | cis | -154.2 | -178 | -17.9 | -168.3 | 12.5 | 0 | 0 | 0 | 109.4 | ||||
| 431 | C | 26.7 | Very low | 27.8 | Very low | 116 Ų | 116 | 136.6 Ų | 136.6 | 78% | 0.784 | 81% | 0.814 | S | S | * | * | trans | -88.1 | 168.8 | -163.9 | 68.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 432 | G | 24 | Very low | 28 | Very low | 72 Ų | 72 | 132.7 Ų | 132.7 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | trans | -172 | 44.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 433 | Q | 29.3 | Very low | 28.2 | Very low | 187 Ų | 187 | 135.7 Ų | 135.7 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | trans | 71 | 139.9 | 149.2 | -57.4 | -170.5 | 5.7 | 0 | 0 | 125.7 | ||||
| 434 | M | 24.7 | Very low | 28.5 | Very low | 167 Ų | 167 | 140.5 Ų | 140.5 | 82% | 0.823 | 83% | 0.828 | S | S | * | * | trans | 65.5 | 95 | 142.2 | -72.9 | -158.3 | 172.2 | 0 | 0 | 125.9 | ||||
| 435 | I | 29.8 | Very low | 28.7 | Very low | 160 Ų | 160 | 141.9 Ų | 141.9 | 82% | 0.821 | 83% | 0.833 | S | S | * | * | 23.4 | 109.9 | 116 | -48.3 | 177.3 | 0 | 0 | 0 | 119.7 | |||||
| 436 | R | 28.6 | Very low | 29.3 | Very low | 248 Ų | 248 | 148.2 Ų | 148.2 | 94% | 0.936 | 83% | 0.834 | S | S | * | * | -177.9 | 144.2 | 118.1 | -95 | 179 | -170.1 | -153.6 | 3.6 | 106.9 | |||||
| 437 | G | 26.8 | Very low | 30 | Very low | 81 Ų | 81 | 155.5 Ų | 155.5 | 84% | 0.835 | 84% | 0.836 | S | S | * | * | cis | 139.5 | 91.3 | 7.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 438 | G | 29.1 | Very low | 30.8 | Very low | 73 Ų | 73 | 163.6 Ų | 163.6 | 75% | 0.753 | 84% | 0.841 | S | S | * | * | trans | -153.6 | 68.7 | -159 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 439 | V | 28.3 | Very low | 31 | Very low | 126 Ų | 126 | 159.2 Ų | 159.2 | 76% | 0.764 | 83% | 0.831 | S | S | * | * | trans | 50.7 | 113.5 | 148.7 | -173.9 | 0 | 0 | 0 | 0 | 119.7 | Q441 | V439-Q441 HydrophobicContact CG1-CG 4.12Š| ||
| 440 | I | 34.1 | Very low | 31.6 | Very low | 154 Ų | 154 | 159.9 Ų | 159.9 | 79% | 0.79 | 83% | 0.825 | S | S | * | * | trans | -76.8 | 137.6 | 157.3 | -65.2 | 168.2 | 0 | 0 | 0 | 109.9 | ||||
| 441 | Q | 33.6 | Very low | 32.4 | Very low | 172 Ų | 172 | 162.1 Ų | 162.1 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | trans | -123.8 | 85.9 | 156.8 | -73.3 | -152.8 | 25.2 | 0 | 0 | 111.9 | V439 T443 | V439-Q441 HydrophobicContact CG1-CG 4.12Å; Q441-T443 PolarHBondContact O-N 3.23Å | ||
| 442 | S | 32.3 | Very low | 33.1 | Very low | 104 Ų | 104 | 164.2 Ų | 164.2 | 73% | 0.727 | 83% | 0.829 | S | S | * | * | trans | -70.6 | 112.9 | 168.7 | 58.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 443 | T | 35.4 | Very low | 34.2 | Very low | 139 Ų | 139 | 164.6 Ų | 164.6 | 85% | 0.853 | 83% | 0.825 | S | S | * | * | trans | -69.3 | 136.5 | -174.6 | 49.7 | 0 | 0 | 0 | 0 | 112.8 | Q441 | Q441-T443 PolarHBondContact O-N 3.23Š| ||
| 444 | R | 33.3 | Very low | 35.5 | Very low | 243 Ų | 243 | 160.3 Ų | 160.3 | 92% | 0.917 | 81% | 0.808 | S | S | * | * | trans | -71.1 | 134.2 | -168 | -69.2 | -177.2 | 173.3 | -164.9 | -2.3 | 113.3 | R446 | R444-R446 PolarHBondContact O-N 3.33Š| ||
| 445 | R | 35.3 | Very low | 37 | Very low | 249 Ų | 249 | 159.2 Ų | 159.2 | 94% | 0.94 | 81% | 0.805 | S | S | * | * | trans | -71.4 | 92.6 | 175.4 | -156.9 | 176.6 | -160.5 | -122.4 | 9 | 111.3 | R447 | R445-R447 PolarHBondContact O-N 3.19Š| ||
| 446 | R | 38.8 | Very low | 38 | Very low | 242 Ų | 242 | 157.6 Ų | 157.6 | 91% | 0.913 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -58 | 127.4 | -175.7 | -163.8 | -174.7 | -108.4 | -120.6 | 3.6 | 112.1 | R444 | R444-R446 PolarHBondContact O-N 3.33Š|
| 447 | R | 39 | Very low | 39.8 | Very low | 235 Ų | 235 | 149 Ų | 149 | 89% | 0.887 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 159.1 | 168.2 | -68.5 | -172.3 | 178.3 | -156.1 | 1 | 110.3 | R445 | R445-R447 PolarHBondContact O-N 3.19Š|
| 448 | R | 40.7 | Very low | 41.4 | Very low | 252 Ų | 252 | 150.5 Ų | 150.5 | 95% | 0.951 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 136.5 | 170.4 | -61.3 | -177 | -173 | 179.8 | 3.6 | 109 | ||
| 449 | A | 32.1 | Very low | 42.8 | Very low | 94 Ų | 94 | 149.6 Ų | 149.6 | 78% | 0.777 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -86 | 147.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 450 | S | 37.2 | Very low | 44.3 | Very low | 84 Ų | 84 | 149.9 Ų | 149.9 | 59% | 0.587 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 151.3 | 161.4 | 12.5 | 0 | 0 | 0 | 0 | 110.1 | E452 | S450-E452 WeakPolarHBondContact CB-OE1 3.5Å; S450-E452 PolarHBondContact O-N 3.21Å; S450-E452 PolarHBondContact OG-OE1 3.34Å |
| 451 | Q | 41.1 | Very low | 45.6 | Very low | 206 Ų | 206 | 148.4 Ų | 148.4 | 96% | 0.963 | 73% | 0.727 | S | S | * | * | trans | -90.5 | 90 | 163.1 | -78.5 | -172.4 | -69.1 | 0 | 0 | 108.3 | A453 | Q451-A453 PolarHBondContact O-N 3.08Š| ||
| 452 | E | 40.7 | Very low | 47 | Very low | 161 Ų | 161 | 143.1 Ų | 143.1 | 75% | 0.752 | 71% | 0.713 | S | S | * | * | trans | -86.9 | 101.6 | 170.8 | -73.9 | 153.2 | -111.6 | 0 | 0 | 107.8 | S450 | S450-E452 WeakPolarHBondContact CB-OE1 3.5Å; S450-E452 PolarHBondContact O-N 3.21Å; S450-E452 PolarHBondContact OG-OE1 3.34Å | ||
| 453 | A | 48.6 | Very low | 48.7 | Very low | 80 Ų | 80 | 143.2 Ų | 143.2 | 66% | 0.661 | 71% | 0.709 | S | S | * | * | trans | -71.8 | 128.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q451 L455 | Q451-A453 PolarHBondContact O-N 3.08Å; A453-L455 PolarHBondContact O-N 3.09Å | ||
| 454 | N | 55.8 | Low | 49.9 | Very low | 97 Ų | 97 | 142.3 Ų | 142.3 | 52% | 0.519 | 70% | 0.695 | S | S | . | * | trans | -66.5 | 109.6 | -178.9 | -174 | -14.9 | 0 | 0 | 0 | 110.5 | L456 T457 L458 | N454-L456 VanDerWaalsContact C-N 3.29Å; N454-L456 PolarHBondContact O-N 3.01Å; N454-L456 WeakPolarHBondContact OD1-CB 3.38Å; N454-L456 PolarHBondContact OD1-N 3.2Å; N454-L456 VanDerWaalsContact OD1-N 3.13Å; N454-T457 PolarHBondContact ND2-OG1 3.27Å; N454-T457 PolarHBondContact O-N 3.45Å; N454-L458 PolarHBondContact O-N 2.69Å | ||
| 455 | L | 56.2 | Low | 51 | Low | 143 Ų | 143 | 136.2 Ų | 136.2 | 75% | 0.749 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -64.3 | -33 | -174.6 | -149.2 | 73.8 | 0 | 0 | 0 | 112.3 | A453 L458 A459 | A453-L455 PolarHBondContact O-N 3.09Å; L455-L458 PolarHBondContact O-N 3.04Å; L455-A459 PolarHBondContact O-N 3.39Å |
| 456 | L | 51 | Low | 51.7 | Low | 126 Ų | 126 | 127.2 Ų | 127.2 | 66% | 0.66 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -65.4 | -40.9 | 175.8 | -76.5 | 150.8 | 0 | 0 | 0 | 111.7 | N454 L458 A459 Q460 | N454-L456 VanDerWaalsContact C-N 3.29Å; N454-L456 PolarHBondContact O-N 3.01Å; N454-L456 WeakPolarHBondContact OD1-CB 3.38Å; N454-L456 PolarHBondContact OD1-N 3.2Å; N454-L456 VanDerWaalsContact OD1-N 3.13Å; L456-L458 PolarHBondContact O-N 3.17Å; L456-A459 PolarHBondContact O-N 2.9Å; L456-Q460 WeakPolarHBondContact O-CG 3.4Å; L456-Q460 PolarHBondContact O-N 3.41Å |
| 457 | T | 66.4 | Low | 52.1 | Low | 67 Ų | 67 | 120.4 Ų | 120.4 | 41% | 0.411 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -67 | -27.7 | 177.1 | -46.7 | 0 | 0 | 0 | 0 | 112.1 | N454 K461 | N454-T457 PolarHBondContact ND2-OG1 3.27Å; N454-T457 PolarHBondContact O-N 3.45Å; T457-K461 WeakPolarHBondContact O-CG 3.38Å; T457-K461 PolarHBondContact O-N 3.36Å |
| 458 | L | 61.1 | Low | 52.5 | Low | 113 Ų | 113 | 115.6 Ų | 115.6 | 59% | 0.592 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -75.9 | -41.1 | 172.4 | -112.6 | 166.5 | 0 | 0 | 0 | 111.9 | N454 L455 L456 K461 A462 | N454-L458 PolarHBondContact O-N 2.69Å; L455-L458 PolarHBondContact O-N 3.04Å; L456-L458 PolarHBondContact O-N 3.17Å; L458-K461 PolarHBondContact O-N 2.88Å; L458-A462 PolarHBondContact O-N 3.34Å |
| 459 | A | 57 | Low | 52.6 | Low | 55 Ų | 55 | 111.3 Ų | 111.3 | 46% | 0.455 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -64 | -45.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L455 L456 K461 A462 V463 | L455-A459 PolarHBondContact O-N 3.39Å; L456-A459 PolarHBondContact O-N 2.9Å; A459-K461 VanDerWaalsContact C-N 3.31Å; A459-K461 PolarHBondContact O-N 3.09Å; A459-A462 WeakPolarHBondContact O-CB 3.4Å; A459-A462 PolarHBondContact O-N 3.36Å; A459-A462 VanDerWaalsContact O-N 3.1Å; A459-V463 PolarHBondContact O-N 3.13Å; A459-V463 VanDerWaalsContact O-N 3.09Å |
| 460 | Q | 60 | Low | 52.9 | Low | 132 Ų | 132 | 114.5 Ų | 114.5 | 62% | 0.617 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -59.1 | -41.6 | 176.2 | -74.5 | 177.7 | -52.4 | 0 | 0 | 111.7 | L456 A462 V463 E464 | L456-Q460 WeakPolarHBondContact O-CG 3.4Å; L456-Q460 PolarHBondContact O-N 3.41Å; Q460-A462 VanDerWaalsContact C-N 3.34Å; Q460-A462 PolarHBondContact O-N 3.17Å; Q460-V463 PolarHBondContact O-N 3.28Å; Q460-E464 WeakPolarHBondContact O-CB 3.31Å; Q460-E464 PolarHBondContact O-N 3.5Å |
| 461 | K | 61.5 | Low | 52.7 | Low | 122 Ų | 122 | 114.9 Ų | 114.9 | 53% | 0.53 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -69.9 | -26.2 | 175.5 | -74.5 | -163 | 168.7 | -155.6 | 0 | 114.5 | T457 L458 A459 L465 | T457-K461 WeakPolarHBondContact O-CG 3.38Å; T457-K461 PolarHBondContact O-N 3.36Å; L458-K461 PolarHBondContact O-N 2.88Å; A459-K461 VanDerWaalsContact C-N 3.31Å; A459-K461 PolarHBondContact O-N 3.09Å; K461-L465 WeakPolarHBondContact O-CB 3.28Å; K461-L465 WeakPolarHBondContact O-CD1 3.25Å; K461-L465 VanDerWaalsContact O-CG 3.26Å; K461-L465 WeakPolarHBondContact O-CG 3.49Å; K461-L465 PolarHBondContact O-N 3.39Å; K461-L465 VanDerWaalsContact O-N 3.1Å |
| 462 | A | 63 | Low | 52.2 | Low | 62 Ų | 62 | 113.6 Ų | 113.6 | 51% | 0.512 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -69.7 | -40.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L458 A459 Q460 A466 | L458-A462 PolarHBondContact O-N 3.34Å; A459-A462 WeakPolarHBondContact O-CB 3.4Å; A459-A462 PolarHBondContact O-N 3.36Å; A459-A462 VanDerWaalsContact O-N 3.1Å; Q460-A462 VanDerWaalsContact C-N 3.34Å; Q460-A462 PolarHBondContact O-N 3.17Å; A462-A466 WeakPolarHBondContact O-CB 3.35Å; A462-A466 PolarHBondContact O-N 2.92Å |
| 463 | V | 68.8 | Low | 51.6 | Low | 105 Ų | 105 | 109.1 Ų | 109.1 | 64% | 0.636 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -67.7 | -44.4 | 174.7 | 177.1 | 0 | 0 | 0 | 0 | 111.3 | A459 Q460 L465 A466 S467 | A459-V463 PolarHBondContact O-N 3.13Å; A459-V463 VanDerWaalsContact O-N 3.09Å; Q460-V463 PolarHBondContact O-N 3.28Å; V463-L465 VanDerWaalsContact C-N 3.3Å; V463-L465 PolarHBondContact O-N 3.43Å; V463-A466 PolarHBondContact O-N 3.44Å; V463-S467 PolarHBondContact O-N 2.79Å |
| 464 | E | 60.5 | Low | 50.7 | Low | 120 Ų | 120 | 110.3 Ų | 110.3 | 56% | 0.561 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -58.8 | -38 | 176.5 | -171 | 178.2 | -150.9 | 0 | 0 | 112.3 | Q460 L468 | Q460-E464 WeakPolarHBondContact O-CB 3.31Å; Q460-E464 PolarHBondContact O-N 3.5Å; E464-L468 WeakPolarHBondContact O-CG 3.24Å |
| 465 | L | 55.9 | Low | 49.3 | Very low | 115 Ų | 115 | 114.5 Ų | 114.5 | 60% | 0.602 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -82.2 | -21.3 | 176.7 | -70.8 | 171.4 | 0 | 0 | 0 | 114.4 | K461 V463 | K461-L465 WeakPolarHBondContact O-CB 3.28Å; K461-L465 WeakPolarHBondContact O-CD1 3.25Å; K461-L465 VanDerWaalsContact O-CG 3.26Å; K461-L465 WeakPolarHBondContact O-CG 3.49Å; K461-L465 PolarHBondContact O-N 3.39Å; K461-L465 VanDerWaalsContact O-N 3.1Å; V463-L465 VanDerWaalsContact C-N 3.3Å; V463-L465 PolarHBondContact O-N 3.43Å |
| 466 | A | 50.3 | Low | 48.1 | Very low | 61 Ų | 61 | 114.1 Ų | 114.1 | 50% | 0.504 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -74.2 | -39.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | A462 V463 L468 Q469 | A462-A466 WeakPolarHBondContact O-CB 3.35Å; A462-A466 PolarHBondContact O-N 2.92Å; V463-A466 PolarHBondContact O-N 3.44Å; A466-L468 PolarHBondContact O-N 3.15Å; A466-Q469 PolarHBondContact O-N 3.46Å |
| 467 | S | 47.9 | Very low | 47 | Very low | 98 Ų | 98 | 114.7 Ų | 114.7 | 69% | 0.685 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | 4 | 179.8 | -168.3 | 0 | 0 | 0 | 0 | 115.2 | V463 | V463-S467 PolarHBondContact O-N 2.79Š|
| 468 | L | 45.8 | Very low | 45.3 | Very low | 135 Ų | 135 | 121.3 Ų | 121.3 | 71% | 0.707 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.7 | 13.1 | -176.6 | -70.8 | 174.4 | 0 | 0 | 0 | 113.7 | E464 A466 | E464-L468 WeakPolarHBondContact O-CG 3.24Å; A466-L468 PolarHBondContact O-N 3.15Å |
| 469 | Q | 43.5 | Very low | 43.7 | Very low | 162 Ų | 162 | 125.1 Ų | 125.1 | 76% | 0.757 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -107.1 | -16.1 | 178.2 | -63.8 | -173.7 | 37.8 | 0 | 0 | 114.1 | A466 A471 | A466-Q469 PolarHBondContact O-N 3.46Å; Q469-A471 PolarHBondContact O-N 2.89Å |
| 470 | D | 37.9 | Very low | 42.3 | Very low | 160 Ų | 160 | 127.6 Ų | 127.6 | 86% | 0.856 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -98.5 | 64.6 | 179 | -69.1 | -51.3 | 0 | 0 | 0 | 112.9 | ||
| 471 | A | 33.5 | Very low | 40.6 | Very low | 92 Ų | 92 | 127.4 Ų | 127.4 | 76% | 0.76 | 70% | 0.702 | S | S | * | * | trans | -160.2 | 77.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q469 | Q469-A471 PolarHBondContact O-N 2.89Š| ||
| 472 | N | 31.3 | Very low | 39.2 | Very low | 180 Ų | 180 | 128.3 Ų | 128.3 | 96% | 0.963 | 71% | 0.712 | S | S | * | * | trans | -84.4 | 124.7 | 162.8 | -88.1 | -32.5 | 0 | 0 | 0 | 109.7 | ||||
| 473 | G | 27.3 | Very low | 37.3 | Very low | 67 Ų | 67 | 129.5 Ų | 129.5 | 69% | 0.691 | 72% | 0.721 | S | S | * | * | trans | -178.3 | 101.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 474 | S | 30.6 | Very low | 35.4 | Very low | 105 Ų | 105 | 128.9 Ų | 128.9 | 73% | 0.734 | 72% | 0.722 | S | S | * | * | trans | 23.2 | 118.1 | 146.7 | 59.5 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 475 | E | 26.1 | Very low | 33.8 | Very low | 184 Ų | 184 | 129.6 Ų | 129.6 | 86% | 0.86 | 73% | 0.734 | S | S | * | * | 77 | 161.9 | 121.7 | -62.9 | -159.9 | 101.2 | 0 | 0 | 124.9 | |||||
| 476 | E | 29.7 | Very low | 32.6 | Very low | 136 Ų | 136 | 128.6 Ų | 128.6 | 64% | 0.636 | 74% | 0.742 | S | S | * | * | trans | 44.1 | 100.7 | 162.7 | -65.7 | -139.1 | 119.6 | 0 | 0 | 123.8 | ||||
| 477 | K | 29.1 | Very low | 31.6 | Very low | 138 Ų | 138 | 135.5 Ų | 135.5 | 60% | 0.6 | 76% | 0.761 | S | S | * | * | 53.8 | 130 | 94.4 | -177.8 | -162.5 | -171 | 178.3 | 0 | 119.4 | |||||
| 478 | R | 31.4 | Very low | 30.5 | Very low | 205 Ų | 205 | 136.9 Ų | 136.9 | 77% | 0.774 | 77% | 0.769 | S | S | * | * | trans | 73.6 | 101.6 | 161.2 | -72.6 | 164.2 | -175.5 | 176.1 | -1.4 | 118.9 | ||||
| 479 | K | 27.2 | Very low | 29.4 | Very low | 194 Ų | 194 | 133.7 Ų | 133.7 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | 39.2 | 140.3 | 112.9 | -64.5 | -175.4 | 175.8 | -176 | 0 | 120.1 | |||||
| 480 | S | 26 | Very low | 28.6 | Very low | 106 Ų | 106 | 132.4 Ų | 132.4 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | trans | 93.5 | 129.6 | 144.2 | 90.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 481 | V | 25.2 | Very low | 27.9 | Very low | 129 Ų | 129 | 132.5 Ų | 132.5 | 78% | 0.782 | 77% | 0.767 | S | S | * | * | 97 | 139.3 | 85.1 | 150.2 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 482 | L | 31.3 | Very low | 27.5 | Very low | 141 Ų | 141 | 136.6 Ų | 136.6 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | cis | -156.1 | 155.5 | 5.6 | -132.5 | 173.9 | 0 | 0 | 0 | 111.3 | ||||
| 483 | A | 23.8 | Very low | 27.2 | Very low | 87 Ų | 87 | 133 Ų | 133 | 72% | 0.719 | 76% | 0.757 | S | S | * | * | trans | -160.6 | 109.9 | 137.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 484 | S | 29.9 | Very low | 27 | Very low | 92 Ų | 92 | 138.5 Ų | 138.5 | 64% | 0.643 | 77% | 0.765 | S | S | * | * | 76.6 | 126.5 | 84.1 | -63.4 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 485 | T | 26.7 | Very low | 27.4 | Very low | 135 Ų | 135 | 138.8 Ų | 138.8 | 83% | 0.828 | 76% | 0.764 | S | S | * | * | cis | -163.8 | 163.1 | 3.6 | 3.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 486 | A | 30.3 | Very low | 27.2 | Very low | 93 Ų | 93 | 134.1 Ų | 134.1 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | trans | 73.5 | 150.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 487 | K | 30 | Very low | 27 | Very low | 207 Ų | 207 | 135.5 Ų | 135.5 | 90% | 0.9 | 77% | 0.768 | S | S | * | * | cis | 174.1 | 149.2 | -39.1 | -107.6 | 171.9 | 177.2 | -175.5 | 0 | 107.9 | ||||
| 488 | C | 23.9 | Very low | 26.9 | Very low | 127 Ų | 127 | 133.8 Ų | 133.8 | 86% | 0.858 | 78% | 0.779 | S | S | * | * | cis | -170 | 138.1 | -33.1 | -170.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 489 | G | 23.7 | Very low | 26.7 | Very low | 67 Ų | 67 | 129 Ų | 129 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | trans | 88.1 | 159.4 | 157.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 490 | V | 25 | Very low | 26.7 | Very low | 136 Ų | 136 | 128.9 Ų | 128.9 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | cis | -154.2 | 146.4 | -13.1 | -158.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 491 | E | 24.7 | Very low | 26.7 | Very low | 161 Ų | 161 | 134.9 Ų | 134.9 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | trans | 82.8 | 157.5 | 143.7 | -113.3 | 175.4 | -171.8 | 0 | 0 | 127 | ||||
| 492 | F | 24.9 | Very low | 26.7 | Very low | 178 Ų | 178 | 133.2 Ų | 133.2 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | trans | 84.9 | 162 | 159.4 | -87.7 | -71.7 | 0 | 0 | 0 | 124.1 | ||||
| 493 | S | 23.6 | Very low | 26.4 | Very low | 105 Ų | 105 | 137.7 Ų | 137.7 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | trans | -131.3 | 174.9 | -149.3 | -53.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 494 | E | 24.9 | Very low | 26.5 | Very low | 183 Ų | 183 | 141.1 Ų | 141.1 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | trans | -9 | 163.8 | 156.3 | -86.1 | -164.3 | 126.2 | 0 | 0 | 121.7 | ||||
| 495 | P | 37.2 | Very low | 26.4 | Very low | 110 Ų | 110 | 144.2 Ų | 144.2 | 71% | 0.714 | 80% | 0.802 | S | S | * | * | cis | -143.8 | -164.4 | 0.1 | 33.2 | -8.1 | 0 | 0 | 0 | 116.6 | ||||
| 496 | A | 23 | Very low | 26.6 | Very low | 86 Ų | 86 | 142.7 Ų | 142.7 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | trans | 88.9 | 120 | 136.8 | 0 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 497 | L | 25.5 | Very low | 26.4 | Very low | 165 Ų | 165 | 141.5 Ų | 141.5 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | 44.1 | 110.3 | 132.7 | -59.7 | 179.3 | 0 | 0 | 0 | 124.9 | ||||
| 498 | A | 26.6 | Very low | 26.5 | Very low | 102 Ų | 102 | 140.9 Ų | 140.9 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | 68.6 | 129.2 | 118.7 | 0 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 499 | A | 27.8 | Very low | 27 | Very low | 105 Ų | 105 | 140.8 Ų | 140.8 | 87% | 0.868 | 79% | 0.791 | S | S | * | * | trans | -139.7 | 173.9 | 160.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 500 | K | 27 | Very low | 27.6 | Very low | 191 Ų | 191 | 143.1 Ų | 143.1 | 83% | 0.83 | 79% | 0.794 | S | S | * | * | trans | -113.3 | 147.7 | -158.8 | -63 | 173.6 | -177.9 | 169.8 | 0 | 116.6 | ||||
| 501 | R | 25.9 | Very low | 28.1 | Very low | 232 Ų | 232 | 144.6 Ų | 144.6 | 88% | 0.875 | 80% | 0.797 | S | S | * | * | trans | 10.8 | 149.8 | 143 | -46.5 | -178.1 | -178 | 120.8 | -0.7 | 119 | ||||
| 502 | A | 25.6 | Very low | 28.7 | Very low | 94 Ų | 94 | 144.5 Ų | 144.5 | 78% | 0.777 | 80% | 0.8 | S | S | * | * | -179.9 | 155.1 | 53.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 503 | R | 25.2 | Very low | 29.1 | Very low | 235 Ų | 235 | 143 Ų | 143 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | 179.2 | 150.1 | 112.6 | -169 | 159.4 | -175.1 | 134.2 | 6.6 | 113.4 | |||||
| 504 | E | 24.5 | Very low | 29.6 | Very low | 160 Ų | 160 | 143 Ų | 143 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | trans | -67.6 | 172.8 | 176.1 | -77.7 | 133.9 | 134.3 | 0 | 0 | 117.5 | ||||
| 505 | E | 28.8 | Very low | 29.9 | Very low | 156 Ų | 156 | 140.6 Ų | 140.6 | 73% | 0.729 | 79% | 0.793 | S | S | * | * | cis | -177.9 | -170.8 | -19.6 | -170.6 | -117.6 | 104.2 | 0 | 0 | 109.2 | ||||
| 506 | S | 30.1 | Very low | 29.7 | Very low | 104 Ų | 104 | 140.4 Ų | 140.4 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | 73.1 | 128 | 167.8 | -50.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 507 | G | 26.8 | Very low | 30.1 | Very low | 67 Ų | 67 | 142.1 Ų | 142.1 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | cis | 167.5 | 149.6 | -11.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 508 | M | 31.4 | Very low | 30.5 | Very low | 194 Ų | 194 | 140 Ų | 140 | 96% | 0.956 | 79% | 0.792 | S | S | * | * | trans | -178 | 152.1 | 149.6 | -103.1 | -179.8 | -163.8 | 0 | 0 | 110 | ||||
| 509 | V | 34.9 | Very low | 30.7 | Very low | 126 Ų | 126 | 141.4 Ų | 141.4 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | trans | -129.6 | 132.7 | -166.1 | 176 | 0 | 0 | 0 | 0 | 112 | ||||
| 510 | P | 36.7 | Very low | 30.9 | Very low | 116 Ų | 116 | 147.6 Ų | 147.6 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | trans | -80.5 | 124.4 | 163.6 | 31.9 | -30.6 | 0 | 0 | 0 | 110.5 | ||||
| 511 | L | 35.6 | Very low | 31.1 | Very low | 166 Ų | 166 | 142.8 Ų | 142.8 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | trans | -67.8 | 132.3 | -178.9 | -72.2 | 156.8 | 0 | 0 | 0 | 111.9 | ||||
| 512 | I | 37.8 | Very low | 31.2 | Very low | 159 Ų | 159 | 138 Ų | 138 | 82% | 0.815 | 78% | 0.783 | S | S | * | * | trans | -112.8 | 113.2 | 168.2 | -60.3 | 175.3 | 0 | 0 | 0 | 107.3 | P514 | I512-P514 WeakPolarHBondContact O-CD 3.24Š| ||
| 513 | I | 31.6 | Very low | 31.3 | Very low | 146 Ų | 146 | 141.1 Ų | 141.1 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | trans | -86.7 | 119.5 | 175.8 | -61 | 176.6 | 0 | 0 | 0 | 108.6 | ||||
| 514 | P | 35.1 | Very low | 31.9 | Very low | 107 Ų | 107 | 135.3 Ų | 135.3 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | trans | -79.1 | 132.2 | 175.3 | 31.9 | -32.6 | 0 | 0 | 0 | 110.7 | I512 | I512-P514 WeakPolarHBondContact O-CD 3.24Š| ||
| 515 | V | 31.2 | Very low | 32.1 | Very low | 131 Ų | 131 | 131.9 Ų | 131.9 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | trans | -105.7 | 100.7 | 166.8 | -177.6 | 0 | 0 | 0 | 0 | 108.3 | V517 | V515-V517 PolarHBondContact O-N 3.43Š| ||
| 516 | S | 33.6 | Very low | 32 | Very low | 107 Ų | 107 | 133.5 Ų | 133.5 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 119.9 | 176.5 | -58.7 | 0 | 0 | 0 | 0 | 110.4 | ||
| 517 | V | 31.5 | Very low | 31.9 | Very low | 121 Ų | 121 | 135.2 Ų | 135.2 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 118.5 | 165.4 | -179 | 0 | 0 | 0 | 0 | 108.1 | V515 V519 | V515-V517 PolarHBondContact O-N 3.43Å; V517-V519 PolarHBondContact O-N 3.02Å |
| 518 | P | 33.7 | Very low | 31.9 | Very low | 120 Ų | 120 | 135.7 Ų | 135.7 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 126.6 | 179.1 | -22 | 33.8 | 0 | 0 | 0 | 111.9 | ||
| 519 | V | 30.9 | Very low | 31.8 | Very low | 133 Ų | 133 | 135.2 Ų | 135.2 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | trans | -114.5 | 106.2 | 165.8 | 179.1 | 0 | 0 | 0 | 0 | 107.4 | V517 A521 | V517-V519 PolarHBondContact O-N 3.02Å; V519-A521 PolarHBondContact O-N 3.21Å | ||
| 520 | R | 31.2 | Very low | 31.4 | Very low | 235 Ų | 235 | 136 Ų | 136 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | trans | -84.3 | 107.3 | 164.9 | -69.7 | -152.3 | 73 | 167.7 | 2.5 | 108.8 | ||||
| 521 | A | 31.3 | Very low | 30.9 | Very low | 89 Ų | 89 | 133.4 Ų | 133.4 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | trans | -72.7 | 151 | 157.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | V519 | V519-A521 PolarHBondContact O-N 3.21Š| ||
| 522 | V | 28.7 | Very low | 30.4 | Very low | 133 Ų | 133 | 131.4 Ų | 131.4 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | trans | -128.1 | 130.2 | 167 | 178.2 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 523 | D | 26.6 | Very low | 30 | Very low | 159 Ų | 159 | 127.9 Ų | 127.9 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | trans | -129.4 | 149.3 | 167.1 | -115.7 | -30.5 | 0 | 0 | 0 | 107.3 | ||||
| 524 | P | 38.7 | Very low | 29.9 | Very low | 113 Ų | 113 | 128 Ų | 128 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | trans | -101.4 | 146.2 | -160.2 | 36.8 | -34.7 | 0 | 0 | 0 | 115.2 | ||||
| 525 | A | 27.4 | Very low | 29.8 | Very low | 88 Ų | 88 | 131.2 Ų | 131.2 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | 168.8 | 137 | 126.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 526 | E | 27.7 | Very low | 29.7 | Very low | 189 Ų | 189 | 131.6 Ų | 131.6 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | 62.4 | 149.9 | 157.4 | -63.2 | 179.3 | 176.3 | 0 | 0 | 118 | ||||
| 527 | V | 26.6 | Very low | 29.5 | Very low | 141 Ų | 141 | 129.6 Ų | 129.6 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | cis | -124.2 | 171.2 | 4.4 | 179.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 528 | A | 28.7 | Very low | 29.3 | Very low | 77 Ų | 77 | 133.2 Ų | 133.2 | 64% | 0.636 | 79% | 0.786 | S | S | * | * | trans | -92.6 | 166.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 529 | Q | 28.8 | Very low | 28.9 | Very low | 184 Ų | 184 | 131 Ų | 131 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | 64.6 | 123.7 | 156.7 | -59.4 | 175.6 | 11.7 | 0 | 0 | 120.6 | ||||
| 530 | V | 26.4 | Very low | 28.8 | Very low | 142 Ų | 142 | 132.1 Ų | 132.1 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | 159.5 | 136.2 | 110.5 | 162.3 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 531 | G | 26 | Very low | 28.5 | Very low | 62 Ų | 62 | 127.2 Ų | 127.2 | 64% | 0.639 | 77% | 0.773 | S | S | * | * | trans | 96.4 | 96.9 | 139 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 532 | S | 25.5 | Very low | 28.3 | Very low | 123 Ų | 123 | 129.9 Ų | 129.9 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | trans | 44.8 | 124.4 | 130.7 | -54.9 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 533 | A | 28.5 | Very low | 28.1 | Very low | 86 Ų | 86 | 134.1 Ų | 134.1 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | 93 | 139.8 | 119.7 | 0 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 534 | D | 29 | Very low | 28.9 | Very low | 148 Ų | 148 | 131.9 Ų | 131.9 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | trans | 70.3 | 108 | 150.1 | -56.2 | -28.1 | 0 | 0 | 0 | 125.3 | ||||
| 535 | E | 34.8 | Very low | 28.3 | Very low | 175 Ų | 175 | 131 Ų | 131 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | 84.6 | 136.1 | 118.4 | -71.2 | -73.2 | 68.6 | 0 | 0 | 127.4 | |||||
| 536 | D | 27.9 | Very low | 28.3 | Very low | 138 Ų | 138 | 133.7 Ų | 133.7 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | trans | 60.8 | 163.3 | 154.5 | -138.6 | -22.8 | 0 | 0 | 0 | 121.7 | ||||
| 537 | G | 28.9 | Very low | 28.5 | Very low | 65 Ų | 65 | 134 Ų | 134 | 67% | 0.67 | 77% | 0.768 | S | S | * | * | trans | 169 | -34.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 538 | K | 27.5 | Very low | 28.8 | Very low | 198 Ų | 198 | 134.3 Ų | 134.3 | 86% | 0.861 | 76% | 0.757 | S | S | * | * | trans | 56.8 | 131.6 | 176.3 | -60.8 | 179.7 | -177.1 | -65.9 | 0 | 122.6 | ||||
| 539 | G | 25.2 | Very low | 29.5 | Very low | 73 Ų | 73 | 136.7 Ų | 136.7 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | trans | 90.4 | 154.9 | 139.5 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 540 | L | 29 | Very low | 29.4 | Very low | 157 Ų | 157 | 133.1 Ų | 133.1 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | cis | -163.9 | 168.7 | -11.2 | -155.2 | 70.9 | 0 | 0 | 0 | 110.9 | ||||
| 541 | E | 25.1 | Very low | 29.5 | Very low | 132 Ų | 132 | 132.2 Ų | 132.2 | 62% | 0.617 | 76% | 0.756 | S | S | * | * | trans | 81.5 | 103 | 159 | -60.5 | -63 | 79.3 | 0 | 0 | 125.1 | ||||
| 542 | Q | 26.6 | Very low | 29.7 | Very low | 145 Ų | 145 | 137.2 Ų | 137.2 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | 50 | 112 | 119.7 | -60.7 | -174.3 | 54.4 | 0 | 0 | 124.2 | |||||
| 543 | Y | 25.7 | Very low | 30 | Very low | 222 Ų | 222 | 137.1 Ų | 137.1 | 87% | 0.871 | 76% | 0.761 | S | S | * | * | 25.7 | 161.8 | 113.5 | -66.9 | -62.2 | 0 | 0 | 0 | 123.1 | |||||
| 544 | P | 42.2 | Very low | 30.2 | Very low | 112 Ų | 112 | 139.6 Ų | 139.6 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | cis | -139.8 | 173.2 | -25 | 37.4 | -18.8 | 0 | 0 | 0 | 116.4 | ||||
| 545 | A | 27.4 | Very low | 30.4 | Very low | 93 Ų | 93 | 144.2 Ų | 144.2 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | 48.3 | 119 | 143.3 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 546 | E | 26.3 | Very low | 30.2 | Very low | 146 Ų | 146 | 147.1 Ų | 147.1 | 68% | 0.682 | 78% | 0.777 | S | S | * | * | -166.5 | 120.3 | 113 | -114.9 | -133.6 | -162.8 | 0 | 0 | 111.2 | K548 | E546-K548 IonicContact OE1-NZ 2.75Å; E546-K548 PolarHBondContact OE1-NZ 3.09Å; E546-K548 IonicContact OE2-NZ 3.5Å; E546-K548 PolarHBondContact OE2-NZ 3.13Å | |||
| 547 | H | 31.4 | Very low | 30.3 | Very low | 196 Ų | 196 | 152.5 Ų | 152.5 | 91% | 0.907 | 79% | 0.787 | S | S | * | * | trans | -152.7 | 124.3 | 163.2 | -125.3 | -81.9 | 0 | 0 | 0 | 112.5 | ||||
| 548 | K | 32.8 | Very low | 30.3 | Very low | 146 Ų | 146 | 154.9 Ų | 154.9 | 64% | 0.635 | 79% | 0.793 | S | S | * | * | trans | -96.7 | 142.6 | -173.2 | -62.6 | -177.6 | 170.1 | 87.6 | 0 | 111.6 | E546 | E546-K548 IonicContact OE1-NZ 2.75Å; E546-K548 PolarHBondContact OE1-NZ 3.09Å; E546-K548 IonicContact OE2-NZ 3.5Å; E546-K548 PolarHBondContact OE2-NZ 3.13Å | ||
| 549 | P | 43.9 | Very low | 30.5 | Very low | 128 Ų | 128 | 156.5 Ų | 156.5 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | trans | -85.1 | 146.7 | -173.5 | 33.3 | -35.8 | 0 | 0 | 0 | 113.3 | ||||
| 550 | S | 27.9 | Very low | 31 | Very low | 109 Ų | 109 | 159.1 Ų | 159.1 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | trans | -158.8 | 132.3 | 165.2 | 111.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 551 | V | 27.9 | Very low | 31.6 | Very low | 122 Ų | 122 | 157.6 Ų | 157.6 | 74% | 0.739 | 79% | 0.794 | S | S | * | * | trans | 57.4 | 91.6 | 152.1 | -165.9 | 0 | 0 | 0 | 0 | 118.4 | V553 | V551-V553 HydrophobicContact CG1-CG2 4.1Š| ||
| 552 | I | 30.7 | Very low | 31.6 | Very low | 168 Ų | 168 | 154.5 Ų | 154.5 | 86% | 0.862 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 120.7 | 151.8 | -66.3 | 178.2 | 0 | 0 | 0 | 109.5 | ||
| 553 | V | 31.7 | Very low | 31.8 | Very low | 121 Ų | 121 | 154 Ų | 154 | 73% | 0.733 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 129.6 | 163.6 | 174 | 0 | 0 | 0 | 0 | 108.7 | V551 R555 | V551-V553 HydrophobicContact CG1-CG2 4.1Å; V553-R555 PolarHBondContact O-N 3.33Å |
| 554 | T | 31.2 | Very low | 31.8 | Very low | 137 Ų | 137 | 151.7 Ų | 151.7 | 84% | 0.84 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 129 | -172.6 | 51 | 0 | 0 | 0 | 0 | 113.6 | ||
| 555 | R | 33.3 | Very low | 31.2 | Very low | 245 Ų | 245 | 150.9 Ų | 150.9 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | trans | -113.2 | 134.7 | 171.3 | -163.6 | 175.5 | -174.1 | -174.1 | 1.4 | 110.8 | V553 | V553-R555 PolarHBondContact O-N 3.33Š| ||
| 556 | R | 31.4 | Very low | 31.3 | Very low | 237 Ų | 237 | 151 Ų | 151 | 89% | 0.894 | 81% | 0.812 | S | S | * | * | trans | -67.1 | 141.8 | 177.7 | -54.1 | 173.8 | -178.8 | -162.1 | -4.8 | 111 | ||||
| 557 | R | 31 | Very low | 31.6 | Very low | 251 Ų | 251 | 148.3 Ų | 148.3 | 95% | 0.947 | 82% | 0.815 | S | S | * | * | trans | -111.7 | 160.7 | 150.9 | -75.2 | -167.9 | -179.6 | -129.6 | 5.9 | 109.6 | ||||
| 558 | S | 28.7 | Very low | 31.3 | Very low | 114 Ų | 114 | 148 Ų | 148 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | trans | -130 | 154.1 | 179.5 | 55.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 559 | R | 31.3 | Very low | 31.1 | Very low | 232 Ų | 232 | 147 Ų | 147 | 88% | 0.875 | 82% | 0.819 | S | S | * | * | trans | -51.3 | 165 | 153.2 | -87.6 | 175 | 160.9 | 161.2 | -7.6 | 110 | ||||
| 560 | V | 36.1 | Very low | 30.5 | Very low | 129 Ų | 129 | 149.5 Ų | 149.5 | 78% | 0.782 | 82% | 0.82 | S | S | * | * | cis | -146.2 | -164.6 | 29 | -129.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 561 | P | 41.8 | Very low | 30.6 | Very low | 124 Ų | 124 | 151 Ų | 151 | 81% | 0.805 | 82% | 0.819 | S | S | * | * | cis | -130.1 | 177.1 | 14.5 | 43.4 | -25.7 | 0 | 0 | 0 | 116.8 | ||||
| 562 | G | 24.6 | Very low | 30.7 | Very low | 68 Ų | 68 | 153.6 Ų | 153.6 | 70% | 0.701 | 83% | 0.828 | S | S | * | * | trans | -171.8 | 123.7 | 162.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 563 | T | 31.1 | Very low | 30.5 | Very low | 133 Ų | 133 | 152.2 Ų | 152.2 | 82% | 0.816 | 82% | 0.822 | S | S | * | * | trans | -154.3 | 130.5 | -175.1 | 46 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 564 | D | 25.5 | Very low | 30.3 | Very low | 174 Ų | 174 | 153.2 Ų | 153.2 | 93% | 0.93 | 83% | 0.829 | S | S | * | * | trans | -149.8 | 159.8 | 137.7 | -108.4 | -39.2 | 0 | 0 | 0 | 109.5 | ||||
| 565 | A | 29.5 | Very low | 30.2 | Very low | 95 Ų | 95 | 154.5 Ų | 154.5 | 79% | 0.785 | 82% | 0.823 | S | S | * | * | trans | -128.9 | -179.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 566 | A | 28.6 | Very low | 30 | Very low | 97 Ų | 97 | 148.8 Ų | 148.8 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | cis | -151.1 | -167.8 | 14.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 567 | A | 32.3 | Very low | 29.8 | Very low | 89 Ų | 89 | 145.8 Ų | 145.8 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | cis | -140.6 | -131.6 | 6.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 568 | Q | 25.6 | Very low | 29.6 | Very low | 189 Ų | 189 | 137.3 Ų | 137.3 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | cis | -133.7 | 172.7 | 11.1 | -70.6 | -178.1 | -112.6 | 0 | 0 | 111.7 | ||||
| 569 | V | 29.3 | Very low | 29.8 | Very low | 125 Ų | 125 | 139.7 Ų | 139.7 | 76% | 0.758 | 80% | 0.795 | S | S | * | * | trans | -137.4 | 146.3 | 179.9 | -153.6 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 570 | E | 31.4 | Very low | 30 | Very low | 180 Ų | 180 | 133.9 Ų | 133.9 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | -163.4 | 146.9 | 61 | -79.5 | 166.5 | 153 | 0 | 0 | 107.3 | |||||
| 571 | D | 29.1 | Very low | 29.9 | Very low | 141 Ų | 141 | 131.4 Ų | 131.4 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | 79.9 | 113.7 | 58.2 | -158.8 | 4.3 | 0 | 0 | 0 | 114.4 | |||||
| 572 | L | 29.6 | Very low | 29.4 | Very low | 176 Ų | 176 | 132.9 Ų | 132.9 | 92% | 0.921 | 78% | 0.775 | S | S | * | * | trans | -155.1 | 146.3 | 168.7 | -84.4 | -172.6 | 0 | 0 | 0 | 110.5 | ||||
| 573 | N | 27.5 | Very low | 29.9 | Very low | 139 Ų | 139 | 139.9 Ų | 139.9 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | trans | -130.9 | 125.3 | -167.5 | 163.2 | 13.7 | 0 | 0 | 0 | 112 | K575 | N573-K575 PolarHBondContact OD1-N 3.1Š| ||
| 574 | V | 28 | Very low | 30.2 | Very low | 143 Ų | 143 | 142.6 Ų | 142.6 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | trans | -140 | 94.2 | 160.3 | -174.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 575 | K | 29.1 | Very low | 30.7 | Very low | 164 Ų | 164 | 140.7 Ų | 140.7 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | 39.4 | 123.1 | 126.8 | -137.7 | -163.1 | -178 | -175.3 | 0 | 120.6 | N573 | N573-K575 PolarHBondContact OD1-N 3.1Š| |||
| 576 | L | 27.9 | Very low | 30.9 | Very low | 125 Ų | 125 | 145.3 Ų | 145.3 | 65% | 0.654 | 78% | 0.781 | S | S | * | * | 126.8 | 125.1 | 114.2 | -157.9 | 59 | 0 | 0 | 0 | 118.2 | |||||
| 577 | E | 28.3 | Very low | 31.5 | Very low | 174 Ų | 174 | 149.4 Ų | 149.4 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | trans | 47.3 | 133.8 | 161.7 | -65.5 | -42.1 | 111.7 | 0 | 0 | 122.9 | ||||
| 578 | G | 26.6 | Very low | 32 | Very low | 73 Ų | 73 | 156.6 Ų | 156.6 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | trans | 161.9 | 44.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 579 | E | 33.4 | Very low | 32.9 | Very low | 163 Ų | 163 | 153.4 Ų | 153.4 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | trans | -60.3 | 143.7 | 154.6 | -106.6 | -78.7 | 110.8 | 0 | 0 | 108 | S581 | E579-S581 VanDerWaalsContact CD-N 3.31Å; E579-S581 PolarHBondContact OE1-N 3.44Å; E579-S581 PolarHBondContact OE2-N 3.17Å; E579-S581 VanDerWaalsContact OE2-N 3.08Å | ||
| 580 | P | 34.2 | Very low | 33.8 | Very low | 110 Ų | 110 | 158.6 Ų | 158.6 | 71% | 0.714 | 79% | 0.793 | S | S | * | * | -142.6 | 148.7 | 56.3 | 38.1 | -19.4 | 0 | 0 | 0 | 118.7 | |||||
| 581 | S | 35.3 | Very low | 34.5 | Very low | 77 Ų | 77 | 155.9 Ų | 155.9 | 54% | 0.538 | 79% | 0.791 | S | S | . | * | trans | 52.8 | 112.3 | 135.1 | -171.4 | 0 | 0 | 0 | 0 | 119.6 | E579 | E579-S581 VanDerWaalsContact CD-N 3.31Å; E579-S581 PolarHBondContact OE1-N 3.44Å; E579-S581 PolarHBondContact OE2-N 3.17Å; E579-S581 VanDerWaalsContact OE2-N 3.08Å | ||
| 582 | I | 29.8 | Very low | 35.5 | Very low | 156 Ų | 156 | 157.4 Ų | 157.4 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | trans | -148.1 | 105.2 | 133.4 | -109.7 | 151.2 | 0 | 0 | 0 | 114.3 | ||||
| 583 | R | 36.8 | Very low | 36.3 | Very low | 214 Ų | 214 | 154.7 Ų | 154.7 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | trans | 41.9 | 101.2 | 131.4 | -56.4 | 175.1 | -174.6 | 178.8 | 0.6 | 118.5 | ||||
| 584 | K | 36.3 | Very low | 37.1 | Very low | 190 Ų | 190 | 156 Ų | 156 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | trans | 6.1 | 110.9 | 136.6 | -61.3 | 174.1 | -177.7 | 175 | 0 | 115.4 | K586 | K584-K586 PolarHBondContact O-N 2.92Š| ||
| 585 | P | 35.8 | Very low | 37.9 | Very low | 134 Ų | 134 | 156.5 Ų | 156.5 | 87% | 0.87 | 79% | 0.789 | S | S | * | * | trans | -66 | 96.6 | 160.4 | 27.6 | -32.5 | 0 | 0 | 0 | 108.7 | Q587 | P585-Q587 PolarHBondContact O-N 3.22Š| ||
| 586 | K | 34.7 | Very low | 38.6 | Very low | 192 Ų | 192 | 155.8 Ų | 155.8 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 134.1 | 177.8 | -73.9 | -176.3 | 176.2 | -178.9 | 0 | 109.6 | K584 R588 | K584-K586 PolarHBondContact O-N 2.92Å; K586-R588 PolarHBondContact O-N 2.79Å |
| 587 | Q | 41.3 | Very low | 39 | Very low | 184 Ų | 184 | 155.3 Ų | 155.3 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 134.5 | 163.1 | -68.9 | -177 | -3 | 0 | 0 | 108.5 | P585 P589 | P585-Q587 PolarHBondContact O-N 3.22Å; Q587-P589 WeakPolarHBondContact O-CD 3.31Å |
| 588 | R | 42 | Very low | 39.3 | Very low | 240 Ų | 240 | 153.7 Ų | 153.7 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 126.7 | 170.6 | -68.4 | -172.9 | 178.7 | -157.7 | -1.3 | 108 | K586 | K586-R588 PolarHBondContact O-N 2.79Š|
| 589 | P | 45.3 | Very low | 39.7 | Very low | 121 Ų | 121 | 159.9 Ų | 159.9 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 143.4 | 172.6 | -26.4 | 35.7 | 0 | 0 | 0 | 111.1 | Q587 | Q587-P589 WeakPolarHBondContact O-CD 3.31Š|
| 590 | R | 47 | Very low | 39.6 | Very low | 235 Ų | 235 | 157 Ų | 157 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 125 | 170 | -166 | -178.9 | -163.4 | 167.8 | 1.5 | 107 | E592 | R590-E592 PolarHBondContact O-N 2.99Š|
| 591 | P | 47.3 | Very low | 39.5 | Very low | 122 Ų | 122 | 155.2 Ų | 155.2 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 137.7 | 179.6 | 26.3 | -33.7 | 0 | 0 | 0 | 110.3 | ||
| 592 | E | 50.2 | Low | 39.4 | Very low | 174 Ų | 174 | 158.5 Ų | 158.5 | 81% | 0.813 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 157.8 | 173.9 | -70.7 | -175 | 135.3 | 0 | 0 | 111.4 | R590 L594 | R590-E592 PolarHBondContact O-N 2.99Å; E592-L594 PolarHBondContact O-N 2.82Å |
| 593 | P | 45.6 | Very low | 39.5 | Very low | 118 Ų | 118 | 160.2 Ų | 160.2 | 77% | 0.766 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 123.5 | 176.9 | 26.6 | -34.5 | 0 | 0 | 0 | 111.2 | I595 | P593-I595 PolarHBondContact O-N 3.47Å; P593-I595 VanDerWaalsContact O-N 3.1Å |
| 594 | L | 44.9 | Very low | 39.2 | Very low | 168 Ų | 168 | 158.2 Ų | 158.2 | 88% | 0.88 | 83% | 0.832 | S | S | * | * | trans | -67.5 | 107.6 | 176.8 | -75.9 | 168 | 0 | 0 | 0 | 111.2 | E592 | E592-L594 PolarHBondContact O-N 2.82Š| ||
| 595 | I | 43.5 | Very low | 39 | Very low | 153 Ų | 153 | 152.9 Ų | 152.9 | 79% | 0.785 | 82% | 0.823 | S | S | * | * | trans | -76 | 130.5 | 163.1 | -59.2 | 172.9 | 0 | 0 | 0 | 107.7 | P593 P597 | P593-I595 PolarHBondContact O-N 3.47Å; P593-I595 VanDerWaalsContact O-N 3.1Å; I595-P597 WeakPolarHBondContact O-CD 3.46Å | ||
| 596 | I | 44.4 | Very low | 38.8 | Very low | 148 Ų | 148 | 152 Ų | 152 | 76% | 0.759 | 82% | 0.818 | S | S | * | * | trans | -99.7 | 114.1 | 175.1 | -59.2 | 175.8 | 0 | 0 | 0 | 108.5 | T598 | I596-T598 PolarHBondContact O-N 3.1Š| ||
| 597 | P | 36.7 | Very low | 38.7 | Very low | 116 Ų | 116 | 149 Ų | 149 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | trans | -71.9 | 123.4 | 172.5 | -14.7 | 30.3 | 0 | 0 | 0 | 110.5 | I595 | I595-P597 WeakPolarHBondContact O-CD 3.46Š| ||
| 598 | T | 34.4 | Very low | 38.7 | Very low | 139 Ų | 139 | 146.1 Ų | 146.1 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | trans | -80 | 124 | 169.8 | 49.1 | 0 | 0 | 0 | 0 | 110.5 | I596 | I596-T598 PolarHBondContact O-N 3.1Š| ||
| 599 | K | 34.8 | Very low | 38.2 | Very low | 204 Ų | 204 | 145.6 Ų | 145.6 | 89% | 0.887 | 81% | 0.812 | S | S | * | * | trans | -126.7 | 141.2 | 162.3 | -81.6 | -167.4 | 173.4 | -173.1 | 0 | 110.4 | ||||
| 600 | A | 31.5 | Very low | 37.6 | Very low | 103 Ų | 103 | 144.5 Ų | 144.5 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | trans | -68.8 | 161.4 | 161.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 601 | G | 32.4 | Very low | 36.9 | Very low | 72 Ų | 72 | 140 Ų | 140 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | cis | 142.1 | 131.2 | -2.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 602 | T | 33.3 | Very low | 36.2 | Very low | 145 Ų | 145 | 141.4 Ų | 141.4 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | trans | -135.9 | 137.1 | -176.9 | -46.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 603 | F | 30.6 | Very low | 35.5 | Very low | 192 Ų | 192 | 139.1 Ų | 139.1 | 84% | 0.842 | 80% | 0.798 | S | S | * | * | trans | -67 | 138.5 | -178.3 | -88.3 | -136.6 | 0 | 0 | 0 | 113.3 | ||||
| 604 | I | 31.2 | Very low | 35.2 | Very low | 172 Ų | 172 | 139.4 Ų | 139.4 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | -140.4 | 137.9 | 122.3 | -56.9 | -173.1 | 0 | 0 | 0 | 106.6 | |||||
| 605 | A | 31.4 | Very low | 34.7 | Very low | 78 Ų | 78 | 142.5 Ų | 142.5 | 65% | 0.645 | 80% | 0.801 | S | S | * | * | trans | -105.7 | 139.5 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 606 | P | 31.6 | Very low | 34.5 | Very low | 117 Ų | 117 | 143 Ų | 143 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 158.4 | 156.3 | -12.1 | 30 | 0 | 0 | 0 | 111.6 | ||
| 607 | P | 34.3 | Very low | 34.1 | Very low | 129 Ų | 129 | 138.8 Ų | 138.8 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 157.9 | -166.7 | 30.2 | -36.4 | 0 | 0 | 0 | 115.4 | ||
| 608 | V | 40.2 | Very low | 34.6 | Very low | 122 Ų | 122 | 141.8 Ų | 141.8 | 74% | 0.739 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 131.3 | 176.9 | 177.2 | 0 | 0 | 0 | 0 | 111.3 | ||
| 609 | Y | 31.1 | Very low | 35.1 | Very low | 230 Ų | 230 | 141.7 Ų | 141.7 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | trans | -160.7 | 108.4 | 133.4 | -99.7 | -67 | 0 | 0 | 0 | 110.4 | ||||
| 610 | S | 33 | Very low | 35.7 | Very low | 97 Ų | 97 | 141.6 Ų | 141.6 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | trans | -76 | 172.6 | 151.4 | -42.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 611 | N | 31.9 | Very low | 36.1 | Very low | 140 Ų | 140 | 141.5 Ų | 141.5 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | cis | -160.5 | 170.4 | 6.9 | 42.5 | 12.4 | 0 | 0 | 0 | 107.4 | ||||
| 612 | I | 32.5 | Very low | 36.5 | Very low | 152 Ų | 152 | 143.7 Ų | 143.7 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | trans | 174.9 | 146.6 | 145.9 | -96 | 155.7 | 0 | 0 | 0 | 111.6 | ||||
| 613 | T | 36 | Very low | 37.1 | Very low | 126 Ų | 126 | 143 Ų | 143 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | trans | 64.1 | 126.3 | -177.8 | 58.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 614 | P | 39.3 | Very low | 37.9 | Very low | 124 Ų | 124 | 143.8 Ų | 143.8 | 81% | 0.805 | 76% | 0.762 | S | S | * | * | trans | -99 | 105.2 | 175.8 | 35.5 | -29.4 | 0 | 0 | 0 | 112.4 | ||||
| 615 | Y | 33.8 | Very low | 38.4 | Very low | 234 Ų | 234 | 142.7 Ų | 142.7 | 92% | 0.918 | 76% | 0.758 | S | S | * | * | trans | -137.5 | 93.1 | 163.8 | -114.8 | -89.5 | 0 | 0 | 0 | 110.1 | S617 | Y615-S617 PolarHBondContact O-N 3.07Š| ||
| 616 | Q | 39.6 | Very low | 39.1 | Very low | 162 Ų | 162 | 143.8 Ų | 143.8 | 76% | 0.757 | 77% | 0.767 | S | S | * | * | trans | -74.5 | 115.2 | 179.3 | -166.6 | -179.8 | 28.2 | 0 | 0 | 109.9 | H618 | Q616-H618 PolarHBondContact O-N 3.09Š| ||
| 617 | S | 36.9 | Very low | 40.1 | Very low | 61 Ų | 61 | 144.1 Ų | 144.1 | 43% | 0.427 | 76% | 0.762 | S | S | . | * | trans | -76.8 | 108.7 | -178.9 | 65.3 | 0 | 0 | 0 | 0 | 111.5 | Y615 L619 R620 | Y615-S617 PolarHBondContact O-N 3.07Å; S617-L619 PolarHBondContact O-N 2.92Å; S617-R620 PolarHBondContact O-N 3.44Å; S617-R620 VanDerWaalsContact O-N 3.17Å; S617-R620 WeakPolarHBondContact OG-CD 3.39Å; S617-R620 WeakPolarHBondContact OG-CG 3.41Å | ||
| 618 | H | 46.2 | Very low | 40.4 | Very low | 178 Ų | 178 | 145.3 Ų | 145.3 | 82% | 0.824 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | -0.4 | 173.2 | -66.7 | 110.6 | 0 | 0 | 0 | 115.2 | Q616 | Q616-H618 PolarHBondContact O-N 3.09Š|
| 619 | L | 45.9 | Very low | 40.6 | Very low | 138 Ų | 138 | 145.9 Ų | 145.9 | 72% | 0.723 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | 24 | 176.5 | -62.6 | 177.3 | 0 | 0 | 0 | 113.1 | S617 | S617-L619 PolarHBondContact O-N 2.92Š|
| 620 | R | 46.9 | Very low | 41.5 | Very low | 201 Ų | 201 | 140 Ų | 140 | 76% | 0.758 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -129.4 | 147 | 166.5 | -67.9 | -178.7 | -179.2 | -106.8 | 0.9 | 109.2 | S617 | S617-R620 PolarHBondContact O-N 3.44Å; S617-R620 VanDerWaalsContact O-N 3.17Å; S617-R620 WeakPolarHBondContact OG-CD 3.39Å; S617-R620 WeakPolarHBondContact OG-CG 3.41Å |
| 621 | S | 40.9 | Very low | 41.8 | Very low | 102 Ų | 102 | 141.5 Ų | 141.5 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 143.2 | 169.3 | 53.9 | 0 | 0 | 0 | 0 | 110.4 | V623 | S621-V623 PolarHBondContact O-N 3.42Š|
| 622 | P | 40.7 | Very low | 42.6 | Very low | 117 Ų | 117 | 146.7 Ų | 146.7 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 125.4 | 177.2 | -28.4 | 35.5 | 0 | 0 | 0 | 112.1 | R624 | P622-R624 PolarHBondContact O-N 3.18Š|
| 623 | V | 46.3 | Very low | 43.6 | Very low | 130 Ų | 130 | 144.9 Ų | 144.9 | 79% | 0.788 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 121.1 | 168.8 | 176.7 | 0 | 0 | 0 | 0 | 106.6 | S621 L625 | S621-V623 PolarHBondContact O-N 3.42Å; V623-L625 PolarHBondContact O-N 2.87Å; V623-L625 VanDerWaalsContact O-N 3.08Å |
| 624 | R | 46 | Very low | 44.1 | Very low | 209 Ų | 209 | 146.5 Ų | 146.5 | 79% | 0.789 | 76% | 0.758 | S | S | * | * | trans | -69.2 | 106.7 | 176 | -61.7 | -166.9 | 75.2 | 119.3 | 4.2 | 109.1 | P622 | P622-R624 PolarHBondContact O-N 3.18Š| ||
| 625 | L | 42.1 | Very low | 44.4 | Very low | 150 Ų | 150 | 149.1 Ų | 149.1 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | -63.3 | 146.7 | 150.9 | -68.9 | 171 | 0 | 0 | 0 | 107.9 | V623 | V623-L625 PolarHBondContact O-N 2.87Å; V623-L625 VanDerWaalsContact O-N 3.08Å | ||
| 626 | A | 46.6 | Very low | 44.7 | Very low | 101 Ų | 101 | 144.5 Ų | 144.5 | 84% | 0.835 | 75% | 0.749 | S | S | * | * | trans | -102.4 | 24.9 | -168.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 627 | D | 51.6 | Low | 45.2 | Very low | 124 Ų | 124 | 142.1 Ų | 142.1 | 66% | 0.663 | 75% | 0.748 | S | S | * | * | trans | -97.3 | 167.1 | 174.7 | -65.8 | -66.8 | 0 | 0 | 0 | 111.4 | ||||
| 628 | H | 42.1 | Very low | 45.6 | Very low | 154 Ų | 154 | 144.8 Ų | 144.8 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | trans | 67 | 64.1 | -173.3 | -42.4 | -73 | 0 | 0 | 0 | 115.6 | S630 | H628-S630 VanDerWaalsContact C-N 3.27Å; H628-S630 PolarHBondContact O-N 2.8Å | ||
| 629 | P | 44 | Very low | 45.7 | Very low | 133 Ų | 133 | 145.2 Ų | 145.2 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | 8.6 | 179.6 | 34.5 | -38 | 0 | 0 | 0 | 115.6 | ||
| 630 | S | 48.3 | Very low | 45.9 | Very low | 107 Ų | 107 | 143.8 Ų | 143.8 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.1 | 4.6 | -162 | 53.4 | 0 | 0 | 0 | 0 | 117.9 | H628 | H628-S630 VanDerWaalsContact C-N 3.27Å; H628-S630 PolarHBondContact O-N 2.8Å |
| 631 | E | 40.3 | Very low | 45.6 | Very low | 128 Ų | 128 | 137.6 Ų | 137.6 | 60% | 0.598 | 74% | 0.743 | S | S | * | * | trans | -85.4 | 121.9 | 174.4 | -70.5 | -161 | 173.1 | 0 | 0 | 112.7 | F634 | E631-F634 HydrophobicContact CB-CD2 4.23Å; E631-F634 WeakPolarHBondContact OE2-CD2 3.45Å | ||
| 632 | R | 48.2 | Very low | 46.1 | Very low | 250 Ų | 250 | 137.1 Ų | 137.1 | 94% | 0.943 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -6.2 | -172.6 | -151.4 | 177.3 | -165.9 | 163.8 | 5.5 | 114.8 | ||
| 633 | S | 53.2 | Low | 46.7 | Very low | 114 Ų | 114 | 135.4 Ų | 135.4 | 80% | 0.797 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.6 | 10.9 | -172.1 | -51.3 | 0 | 0 | 0 | 0 | 113.7 | E635 | S633-E635 PolarHBondContact O-N 3.11Š|
| 634 | F | 46.7 | Very low | 47.1 | Very low | 160 Ų | 160 | 137 Ų | 137 | 70% | 0.702 | 73% | 0.728 | S | S | * | * | trans | -82.6 | 93.8 | -175.1 | -127.1 | -80.8 | 0 | 0 | 0 | 111.4 | E631 | E631-F634 HydrophobicContact CB-CD2 4.23Å; E631-F634 WeakPolarHBondContact OE2-CD2 3.45Å | ||
| 635 | E | 46.3 | Very low | 47.3 | Very low | 179 Ų | 179 | 132 Ų | 132 | 84% | 0.836 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 139.8 | 169.1 | -71.3 | -161.3 | 128.5 | 0 | 0 | 111.1 | S633 P637 | S633-E635 PolarHBondContact O-N 3.11Å; E635-P637 WeakPolarHBondContact O-CD 3.33Å |
| 636 | L | 41.1 | Very low | 47.8 | Very low | 136 Ų | 136 | 128.6 Ų | 128.6 | 71% | 0.712 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 123.2 | 176.5 | -71.2 | 167.9 | 0 | 0 | 0 | 109.7 | ||
| 637 | P | 48.8 | Very low | 48.2 | Very low | 113 Ų | 113 | 127.5 Ų | 127.5 | 73% | 0.734 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 136.6 | 173.4 | -25.2 | 35 | 0 | 0 | 0 | 111 | E635 Y639 | E635-P637 WeakPolarHBondContact O-CD 3.33Å; P637-Y639 PolarHBondContact O-N 3.21Å |
| 638 | P | 45 | Very low | 48.3 | Very low | 116 Ų | 116 | 128 Ų | 128 | 75% | 0.753 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 136.6 | -175.7 | 23.5 | -33.3 | 0 | 0 | 0 | 111.5 | T640 | P638-T640 PolarHBondContact O-N 3.15Å; P638-T640 PolarHBondContact O-OG1 3.22Å |
| 639 | Y | 49.1 | Very low | 48.9 | Very low | 188 Ų | 188 | 128.5 Ų | 128.5 | 74% | 0.737 | 69% | 0.692 | S | S | * | * | trans | -62.2 | 103.1 | -176.5 | 175 | -99.1 | 0 | 0 | 0 | 111.4 | P637 P641 | P637-Y639 PolarHBondContact O-N 3.21Å; Y639-P641 HydrophobicContact CE1-CB 3.92Å; Y639-P641 WeakPolarHBondContact O-CD 3.23Å | ||
| 640 | T | 50.6 | Low | 49.5 | Very low | 108 Ų | 108 | 128.8 Ų | 128.8 | 66% | 0.663 | 68% | 0.682 | S | S | * | * | trans | -85.6 | 112.9 | 171.4 | -56.1 | 0 | 0 | 0 | 0 | 108.4 | P638 | P638-T640 PolarHBondContact O-N 3.15Å; P638-T640 PolarHBondContact O-OG1 3.22Å | ||
| 641 | P | 40.8 | Very low | 49.7 | Very low | 71 Ų | 71 | 125.8 Ų | 125.8 | 46% | 0.461 | 67% | 0.668 | S | S | . | * | P | Polyproline II helix | trans | -67.1 | 144.9 | -178.7 | 27.1 | -34.2 | 0 | 0 | 0 | 111.1 | Y639 | Y639-P641 HydrophobicContact CE1-CB 3.92Å; Y639-P641 WeakPolarHBondContact O-CD 3.23Å |
| 642 | P | 50.3 | Low | 50.4 | Low | 91 Ų | 91 | 125.6 Ų | 125.6 | 59% | 0.591 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 146.2 | 176.1 | 26.6 | -34.4 | 0 | 0 | 0 | 110.9 | I644 | P642-I644 PolarHBondContact O-N 3.2Å; P642-I644 VanDerWaalsContact O-N 3.17Å |
| 643 | P | 52.5 | Low | 50.6 | Low | 81 Ų | 81 | 115.6 Ų | 115.6 | 53% | 0.526 | 66% | 0.656 | S | S | . | * | P | Polyproline II helix | trans | -62.1 | 120.4 | -171.8 | 23.9 | -33.9 | 0 | 0 | 0 | 111.6 | L645 | P643-L645 PolarHBondContact O-N 3.2Å; P643-L645 VanDerWaalsContact O-N 3.1Å |
| 644 | I | 55.1 | Low | 50.6 | Low | 163 Ų | 163 | 117.4 Ų | 117.4 | 84% | 0.836 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -74.3 | 1.1 | -176.5 | -44.3 | 178.4 | 0 | 0 | 0 | 111.6 | P642 | P642-I644 PolarHBondContact O-N 3.2Å; P642-I644 VanDerWaalsContact O-N 3.17Å |
| 645 | L | 50.7 | Low | 50.9 | Low | 106 Ų | 106 | 117.8 Ų | 117.8 | 56% | 0.555 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -129.1 | 145.6 | 175.6 | -64 | 173 | 0 | 0 | 0 | 108.7 | P643 | P643-L645 PolarHBondContact O-N 3.2Å; P643-L645 VanDerWaalsContact O-N 3.1Å |
| 646 | S | 53.1 | Low | 51 | Low | 77 Ų | 77 | 113.7 Ų | 113.7 | 54% | 0.538 | 63% | 0.633 | S | S | . | * | trans | -56.2 | 134.6 | 174.7 | -178.4 | 0 | 0 | 0 | 0 | 110.7 | V648 R649 | S646-V648 PolarHBondContact O-N 2.81Å; S646-V648 VanDerWaalsContact O-N 3.13Å; S646-V648 PolarHBondContact OG-N 2.82Å; S646-R649 VanDerWaalsContact O-CB 3.31Å; S646-R649 WeakPolarHBondContact O-CB 3.34Å; S646-R649 PolarHBondContact O-N 2.93Å; S646-R649 VanDerWaalsContact O-N 3.09Å | ||
| 647 | P | 54.8 | Low | 51.4 | Low | 79 Ų | 79 | 111.6 Ų | 111.6 | 51% | 0.513 | 62% | 0.623 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -56.8 | -24.8 | 172.2 | -26.2 | 35.4 | 0 | 0 | 0 | 113.5 | R649 | P647-R649 PolarHBondContact O-N 2.94Š|
| 648 | V | 53.1 | Low | 51.5 | Low | 134 Ų | 134 | 109 Ų | 109 | 81% | 0.812 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | 27.2 | 177.5 | -153.6 | 0 | 0 | 0 | 0 | 111.9 | S646 | S646-V648 PolarHBondContact O-N 2.81Å; S646-V648 VanDerWaalsContact O-N 3.13Å; S646-V648 PolarHBondContact OG-N 2.82Å |
| 649 | R | 55.3 | Low | 52 | Low | 164 Ų | 164 | 107.8 Ų | 107.8 | 62% | 0.619 | 60% | 0.597 | S | S | * | * | trans | -101.5 | 101.8 | 173.3 | -174 | -176.9 | 178.5 | -153.1 | -6.6 | 109.6 | S646 P647 G651 | S646-R649 VanDerWaalsContact O-CB 3.31Å; S646-R649 WeakPolarHBondContact O-CB 3.34Å; S646-R649 PolarHBondContact O-N 2.93Å; S646-R649 VanDerWaalsContact O-N 3.09Å; P647-R649 PolarHBondContact O-N 2.94Å; R649-G651 PolarHBondContact O-N 3.3Å | ||
| 650 | E | 55.7 | Low | 51.9 | Low | 139 Ų | 139 | 102.8 Ų | 102.8 | 65% | 0.65 | 59% | 0.586 | S | S | * | * | trans | -55.4 | 134.6 | 170.7 | -67.2 | 171.9 | -173.6 | 0 | 0 | 111.5 | ||||
| 651 | G | 53 | Low | 51.6 | Low | 44 Ų | 44 | 101.9 Ų | 101.9 | 45% | 0.454 | 58% | 0.584 | S | S | . | * | S | Bend | trans | 153.2 | 152.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | R649 G653 | R649-G651 PolarHBondContact O-N 3.3Å; G651-G653 PolarHBondContact O-N 3.01Å |
| 652 | S | 54.3 | Low | 51.8 | Low | 125 Ų | 125 | 103.5 Ų | 103.5 | 87% | 0.874 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -74.4 | 43.3 | -174.7 | 49 | 0 | 0 | 0 | 0 | 114.7 | ||
| 653 | G | 53.3 | Low | 51.5 | Low | 40 Ų | 40 | 104 Ų | 104 | 41% | 0.412 | 60% | 0.598 | S | S | . | * | trans | -80.4 | 145.6 | 170 | 0 | 0 | 0 | 0 | 0 | 111.5 | G651 Y655 F656 | G651-G653 PolarHBondContact O-N 3.01Å; G653-Y655 PolarHBondContact O-N 2.98Å; G653-F656 WeakPolarHBondContact O-CB 3.32Å; G653-F656 PolarHBondContact O-N 2.78Å | ||
| 654 | L | 53.5 | Low | 51.1 | Low | 151 Ų | 151 | 104.8 Ų | 104.8 | 79% | 0.791 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -50.2 | -34.8 | -176.8 | -69 | 163.8 | 0 | 0 | 0 | 114.1 | F656 N657 A658 | L654-F656 VanDerWaalsContact C-N 3.34Å; L654-F656 PolarHBondContact O-N 3.2Å; L654-N657 PolarHBondContact O-N 2.94Å; L654-A658 PolarHBondContact O-N 3.05Å; L654-A658 VanDerWaalsContact O-N 3.13Å |
| 655 | Y | 51.9 | Low | 50.3 | Low | 168 Ų | 168 | 104 Ų | 104 | 66% | 0.659 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -65.2 | -29.6 | 177.4 | -60.5 | -77.1 | 0 | 0 | 0 | 114.3 | G653 I659 | G653-Y655 PolarHBondContact O-N 2.98Å; Y655-I659 WeakPolarHBondContact O-CG1 3.45Å; Y655-I659 PolarHBondContact O-N 2.98Å |
| 656 | F | 49.6 | Very low | 49.8 | Very low | 94 Ų | 94 | 105 Ų | 105 | 41% | 0.412 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -68.7 | -48.3 | 177.4 | -175.8 | -95 | 0 | 0 | 0 | 110.3 | G653 L654 A658 I659 V660 | G653-F656 WeakPolarHBondContact O-CB 3.32Å; G653-F656 PolarHBondContact O-N 2.78Å; L654-F656 VanDerWaalsContact C-N 3.34Å; L654-F656 PolarHBondContact O-N 3.2Å; F656-A658 VanDerWaalsContact C-N 3.29Å; F656-A658 PolarHBondContact O-N 2.77Å; F656-I659 PolarHBondContact O-N 2.93Å; F656-V660 HydrophobicContact CD1-CG2 4.31Å; F656-V660 HydrophobicContact CE1-CG2 4.01Å; F656-V660 HydrophobicContact CZ-CG2 4.34Å; F656-V660 WeakPolarHBondContact O-CG2 3.49Å; F656-V660 PolarHBondContact O-N 3.32Å; F656-V660 VanDerWaalsContact O-N 3.09Å |
| 657 | N | 49.5 | Very low | 48.9 | Very low | 92 Ų | 92 | 105.3 Ų | 105.3 | 49% | 0.492 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -61 | -38.1 | 176.2 | -67.5 | 2.6 | 0 | 0 | 0 | 111.7 | L654 I659 V660 S661 | L654-N657 PolarHBondContact O-N 2.94Å; N657-I659 VanDerWaalsContact C-N 3.33Å; N657-I659 PolarHBondContact O-N 2.96Å; N657-V660 PolarHBondContact O-N 3.2Å; N657-S661 WeakPolarHBondContact O-CB 3.16Å; N657-S661 PolarHBondContact O-N 2.82Å; N657-S661 PolarHBondContact O-OG 3.23Å |
| 658 | A | 51 | Low | 48 | Very low | 57 Ų | 57 | 107.6 Ų | 107.6 | 47% | 0.471 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -61.6 | -37 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L654 F656 | L654-A658 PolarHBondContact O-N 3.05Å; L654-A658 VanDerWaalsContact O-N 3.13Å; F656-A658 VanDerWaalsContact C-N 3.29Å; F656-A658 PolarHBondContact O-N 2.77Å |
| 659 | I | 54 | Low | 47.3 | Very low | 92 Ų | 92 | 106.6 Ų | 106.6 | 47% | 0.472 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -73 | -41.8 | 177.3 | -64.3 | 164.8 | 0 | 0 | 0 | 110.5 | Y655 F656 N657 T662 | Y655-I659 WeakPolarHBondContact O-CG1 3.45Å; Y655-I659 PolarHBondContact O-N 2.98Å; F656-I659 PolarHBondContact O-N 2.93Å; N657-I659 VanDerWaalsContact C-N 3.33Å; N657-I659 PolarHBondContact O-N 2.96Å; I659-T662 PolarHBondContact O-N 3.4Å; I659-T662 PolarHBondContact O-OG1 3.26Å |
| 660 | V | 48.1 | Very low | 46.3 | Very low | 82 Ų | 82 | 105 Ų | 105 | 50% | 0.497 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -66.5 | -37.9 | 177.6 | 177.1 | 0 | 0 | 0 | 0 | 111.6 | F656 N657 T662 S663 | F656-V660 HydrophobicContact CD1-CG2 4.31Å; F656-V660 HydrophobicContact CE1-CG2 4.01Å; F656-V660 HydrophobicContact CZ-CG2 4.34Å; F656-V660 WeakPolarHBondContact O-CG2 3.49Å; F656-V660 PolarHBondContact O-N 3.32Å; F656-V660 VanDerWaalsContact O-N 3.09Å; N657-V660 PolarHBondContact O-N 3.2Å; V660-T662 PolarHBondContact O-N 2.82Å; V660-S663 PolarHBondContact O-N 3Å; V660-S663 PolarHBondContact O-OG 3.5Å; V660-S663 VanDerWaalsContact O-OG 3.09Å |
| 661 | S | 44.3 | Very low | 45.4 | Very low | 89 Ų | 89 | 105.5 Ų | 105.5 | 62% | 0.622 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -16.8 | 179.3 | -67.4 | 0 | 0 | 0 | 0 | 114.7 | N657 S664 | N657-S661 WeakPolarHBondContact O-CB 3.16Å; N657-S661 PolarHBondContact O-N 2.82Å; N657-S661 PolarHBondContact O-OG 3.23Å; S661-S664 PolarHBondContact O-OG 2.69Å |
| 662 | T | 44.7 | Very low | 44.5 | Very low | 106 Ų | 106 | 109.9 Ų | 109.9 | 65% | 0.65 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | -6.8 | 177.5 | 55.8 | 0 | 0 | 0 | 0 | 114.2 | I659 V660 S664 | I659-T662 PolarHBondContact O-N 3.4Å; I659-T662 PolarHBondContact O-OG1 3.26Å; V660-T662 PolarHBondContact O-N 2.82Å; T662-S664 PolarHBondContact O-N 3.46Å |
| 663 | S | 44.6 | Very low | 43.7 | Very low | 100 Ų | 100 | 109.5 Ų | 109.5 | 70% | 0.699 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | 25.2 | -179.4 | 74.6 | 0 | 0 | 0 | 0 | 114.6 | V660 | V660-S663 PolarHBondContact O-N 3Å; V660-S663 PolarHBondContact O-OG 3.5Å; V660-S663 VanDerWaalsContact O-OG 3.09Å |
| 664 | S | 42.8 | Very low | 43.2 | Very low | 99 Ų | 99 | 117.8 Ų | 117.8 | 69% | 0.692 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | 2.1 | -174.7 | 51.6 | 0 | 0 | 0 | 0 | 114.5 | S661 T662 | S661-S664 PolarHBondContact O-OG 2.69Å; T662-S664 PolarHBondContact O-N 3.46Å |
| 665 | I | 39.8 | Very low | 42.1 | Very low | 146 Ų | 146 | 116.2 Ų | 116.2 | 75% | 0.749 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -104.9 | 118.4 | 179.7 | -56.3 | 178.9 | 0 | 0 | 0 | 109.8 | ||
| 666 | P | 39.7 | Very low | 41 | Very low | 126 Ų | 126 | 112.9 Ų | 112.9 | 82% | 0.818 | 70% | 0.696 | S | S | * | * | trans | -88.5 | 111.8 | -173.1 | 32.6 | -33.5 | 0 | 0 | 0 | 113.3 | ||||
| 667 | A | 32.9 | Very low | 40.2 | Very low | 85 Ų | 85 | 117.2 Ų | 117.2 | 70% | 0.702 | 72% | 0.717 | S | S | * | * | trans | -148.3 | 137.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 668 | P | 37.8 | Very low | 39.5 | Very low | 127 Ų | 127 | 124.1 Ų | 124.1 | 83% | 0.825 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 140.1 | -174.8 | 34 | -33.9 | 0 | 0 | 0 | 113.6 | ||
| 669 | P | 37.1 | Very low | 38.6 | Very low | 112 Ų | 112 | 127 Ų | 127 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 149.7 | 164.8 | 32.7 | -33.4 | 0 | 0 | 0 | 111.9 | ||
| 670 | P | 33.8 | Very low | 38.1 | Very low | 132 Ų | 132 | 130.5 Ų | 130.5 | 86% | 0.857 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 169.4 | -174.2 | 31 | -36.3 | 0 | 0 | 0 | 114.8 | ||
| 671 | I | 37.1 | Very low | 37.4 | Very low | 149 Ų | 149 | 132.9 Ų | 132.9 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | trans | -110.6 | 136.7 | -168.4 | -55 | 166 | 0 | 0 | 0 | 111.1 | ||||
| 672 | T | 34.6 | Very low | 36.8 | Very low | 135 Ų | 135 | 138.3 Ų | 138.3 | 83% | 0.828 | 78% | 0.783 | S | S | * | * | trans | 180 | 156.7 | 145.5 | 17.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 673 | P | 38 | Very low | 36.2 | Very low | 118 Ų | 118 | 138.1 Ų | 138.1 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | cis | -112.7 | 161.2 | -43.3 | 36.2 | -25.8 | 0 | 0 | 0 | 111.2 | ||||
| 674 | K | 42.2 | Very low | 35.6 | Very low | 213 Ų | 213 | 140.7 Ų | 140.7 | 93% | 0.926 | 79% | 0.792 | S | S | * | * | trans | -112.2 | 128.5 | 175.7 | -69 | 178.7 | -179.6 | 175 | 0 | 111.2 | ||||
| 675 | S | 30.3 | Very low | 35.3 | Very low | 119 Ų | 119 | 141.9 Ų | 141.9 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | -149.1 | 142.7 | 164.2 | 57.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 676 | A | 28.6 | Very low | 35 | Very low | 98 Ų | 98 | 139.6 Ų | 139.6 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | cis | -146.5 | 147.9 | -20.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 677 | H | 32.9 | Very low | 34.9 | Very low | 185 Ų | 185 | 142.5 Ų | 142.5 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | trans | -102.9 | 114.6 | 177.2 | -119.1 | -103.2 | 0 | 0 | 0 | 110.2 | ||||
| 678 | R | 36.1 | Very low | 35.2 | Very low | 236 Ų | 236 | 145 Ų | 145 | 89% | 0.891 | 81% | 0.806 | S | S | * | * | trans | -133 | 101.2 | 151.9 | -66.4 | -173.2 | 79.6 | 160.5 | 3 | 106.2 | ||||
| 679 | T | 32.1 | Very low | 35.1 | Very low | 118 Ų | 118 | 145 Ų | 145 | 72% | 0.724 | 80% | 0.804 | S | S | * | * | 70.3 | 103.9 | 85.2 | -52.3 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 680 | L | 42.3 | Very low | 35.3 | Very low | 165 Ų | 165 | 144.5 Ų | 144.5 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | -69.2 | 144 | 173.7 | -63.3 | 162.1 | 0 | 0 | 0 | 111.9 | ||||
| 681 | L | 33.9 | Very low | 35.8 | Very low | 133 Ų | 133 | 143.6 Ų | 143.6 | 70% | 0.696 | 80% | 0.795 | S | S | * | * | trans | -156.9 | 143.8 | 146.7 | -61.9 | -177.6 | 0 | 0 | 0 | 107.1 | ||||
| 682 | R | 31.8 | Very low | 35.8 | Very low | 202 Ų | 202 | 142.8 Ų | 142.8 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | cis | -163.1 | 142.7 | -9.7 | -113.5 | -178.1 | -159 | 129.5 | 4.8 | 109.9 | ||||
| 683 | S | 31.7 | Very low | 35.9 | Very low | 102 Ų | 102 | 144.3 Ų | 144.3 | 71% | 0.713 | 80% | 0.799 | S | S | * | * | trans | 63.4 | 160.7 | 144.6 | -45.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 684 | N | 31.8 | Very low | 35.9 | Very low | 155 Ų | 155 | 143.1 Ų | 143.1 | 83% | 0.829 | 79% | 0.793 | S | S | * | * | cis | -128.3 | 146.9 | 17.2 | -59.2 | -34.2 | 0 | 0 | 0 | 113.9 | ||||
| 685 | S | 36.4 | Very low | 36.2 | Very low | 124 Ų | 124 | 140.2 Ų | 140.2 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | trans | 23.1 | 151.1 | 150.8 | -84.7 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 686 | S | 35 | Very low | 36.6 | Very low | 98 Ų | 98 | 140.1 Ų | 140.1 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | cis | -154.8 | 130.9 | 6.4 | 48.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 687 | E | 36.4 | Very low | 37.4 | Very low | 186 Ų | 186 | 139.7 Ų | 139.7 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | 54.7 | 79.5 | 125.4 | -156.1 | 155.8 | -127.3 | 0 | 0 | 121 | |||||
| 688 | V | 38.6 | Very low | 37.6 | Very low | 139 Ų | 139 | 136.9 Ų | 136.9 | 84% | 0.842 | 77% | 0.773 | S | S | * | * | trans | -134.4 | 132.3 | 136.8 | 176.3 | 0 | 0 | 0 | 0 | 108 | P690 | V688-P690 VanDerWaalsContact O-CD 3.24Å; V688-P690 WeakPolarHBondContact O-CD 3.11Å | ||
| 689 | T | 36 | Very low | 38.1 | Very low | 127 Ų | 127 | 129 Ų | 129 | 78% | 0.779 | 76% | 0.759 | S | S | * | * | trans | -67.9 | 114.2 | -165.8 | -42.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 690 | P | 42.5 | Very low | 38.7 | Very low | 101 Ų | 101 | 128 Ų | 128 | 66% | 0.656 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -74 | 143.2 | 159 | 32.7 | -32.3 | 0 | 0 | 0 | 109.3 | V688 V692 | V688-P690 VanDerWaalsContact O-CD 3.24Å; V688-P690 WeakPolarHBondContact O-CD 3.11Å; P690-V692 PolarHBondContact O-N 2.78Å |
| 691 | P | 43.9 | Very low | 38.9 | Very low | 113 Ų | 113 | 125.7 Ų | 125.7 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -63 | 137.4 | 176.7 | 26.9 | -33.9 | 0 | 0 | 0 | 110.4 | L693 | P691-L693 PolarHBondContact O-N 3.41Š|
| 692 | V | 36 | Very low | 39.8 | Very low | 132 Ų | 132 | 125.8 Ų | 125.8 | 80% | 0.8 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 124 | 175.1 | 176.7 | 0 | 0 | 0 | 0 | 109.1 | P690 S694 | P690-V692 PolarHBondContact O-N 2.78Å; V692-S694 VanDerWaalsContact C-N 3.29Å; V692-S694 PolarHBondContact O-N 2.93Å |
| 693 | L | 38.3 | Very low | 41 | Very low | 167 Ų | 167 | 118.5 Ų | 118.5 | 87% | 0.874 | 73% | 0.733 | S | S | * | * | trans | -71 | 90.9 | 168.5 | -70.5 | 178.2 | 0 | 0 | 0 | 108.5 | P691 V695 | P691-L693 PolarHBondContact O-N 3.41Å; L693-V695 PolarHBondContact O-N 2.83Å | ||
| 694 | S | 36.9 | Very low | 42.7 | Very low | 92 Ų | 92 | 122.2 Ų | 122.2 | 64% | 0.643 | 74% | 0.743 | S | S | * | * | trans | -50 | 136.2 | 169.4 | -64.2 | 0 | 0 | 0 | 0 | 110.3 | V692 M696 | V692-S694 VanDerWaalsContact C-N 3.29Å; V692-S694 PolarHBondContact O-N 2.93Å; S694-M696 PolarHBondContact O-N 3.4Å | ||
| 695 | V | 49.7 | Very low | 45.1 | Very low | 153 Ų | 153 | 121.4 Ų | 121.4 | 93% | 0.927 | 73% | 0.734 | S | S | * | * | trans | -68.7 | 82.6 | 169.5 | 179.4 | 0 | 0 | 0 | 0 | 108 | L693 G697 | L693-V695 PolarHBondContact O-N 2.83Å; V695-G697 PolarHBondContact O-N 2.83Å | ||
| 696 | M | 37.9 | Very low | 47.4 | Very low | 117 Ų | 117 | 121.6 Ų | 121.6 | 58% | 0.576 | 73% | 0.732 | S | S | * | * | trans | -87 | 102.5 | 179.5 | -106 | -175.9 | 161.7 | 0 | 0 | 110.2 | S694 E698 | S694-M696 PolarHBondContact O-N 3.4Å; M696-E698 HydrophobicContact CE-CG 4.49Å; M696-E698 VanDerWaalsContact CE-OE2 3.25Å; M696-E698 WeakPolarHBondContact CE-OE2 3.09Å; M696-E698 HydrophobicContact CG-CB 4.37Å; M696-E698 PolarHBondContact O-N 2.99Å; M696-E698 VanDerWaalsContact O-N 3.15Å | ||
| 697 | G | 44.8 | Very low | 49.8 | Very low | 88 Ų | 88 | 125.8 Ų | 125.8 | 91% | 0.907 | 73% | 0.733 | S | S | * | * | trans | -72.5 | 22.4 | 158.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | V695 | V695-G697 PolarHBondContact O-N 2.83Š| ||
| 698 | E | 38.3 | Very low | 52.5 | Low | 126 Ų | 126 | 124.2 Ų | 124.2 | 59% | 0.589 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -100.2 | 123.6 | 173.1 | -69.4 | -161.7 | 153.6 | 0 | 0 | 109.6 | M696 T700 | M696-E698 HydrophobicContact CE-CG 4.49Å; M696-E698 VanDerWaalsContact CE-OE2 3.25Å; M696-E698 WeakPolarHBondContact CE-OE2 3.09Å; M696-E698 HydrophobicContact CG-CB 4.37Å; M696-E698 PolarHBondContact O-N 2.99Å; M696-E698 VanDerWaalsContact O-N 3.15Å; E698-T700 PolarHBondContact O-N 3.07Å |
| 699 | A | 45.2 | Very low | 55 | Low | 72 Ų | 72 | 122.2 Ų | 122.2 | 60% | 0.595 | 71% | 0.714 | S | S | * | * | trans | -69.4 | 74.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | P701 | A699-P701 VanDerWaalsContact O-CD 3.31Å; A699-P701 WeakPolarHBondContact O-CD 3.33Å; A699-P701 VanDerWaalsContact O-N 3.14Å | ||
| 700 | T | 45.3 | Very low | 57.7 | Low | 97 Ų | 97 | 121.6 Ų | 121.6 | 60% | 0.595 | 71% | 0.71 | S | S | * | * | trans | -60.2 | 115.4 | 168.2 | 22.9 | 0 | 0 | 0 | 0 | 107.5 | E698 V702 | E698-T700 PolarHBondContact O-N 3.07Å; T700-V702 PolarHBondContact O-N 2.84Å | ||
| 701 | P | 47.5 | Very low | 60.1 | Low | 115 Ų | 115 | 118.3 Ų | 118.3 | 75% | 0.747 | 69% | 0.694 | S | S | * | * | trans | -65 | 114.6 | -171.1 | 24.3 | -33.2 | 0 | 0 | 0 | 108.8 | A699 S703 | A699-P701 VanDerWaalsContact O-CD 3.31Å; A699-P701 WeakPolarHBondContact O-CD 3.33Å; A699-P701 VanDerWaalsContact O-N 3.14Å; P701-S703 PolarHBondContact O-N 3.47Å | ||
| 702 | V | 52.6 | Low | 62.3 | Low | 136 Ų | 136 | 119.6 Ų | 119.6 | 82% | 0.824 | 70% | 0.7 | S | S | * | * | trans | -55.6 | 103.7 | 178 | 177.7 | 0 | 0 | 0 | 0 | 107.7 | T700 I704 | T700-V702 PolarHBondContact O-N 2.84Å; V702-I704 WeakPolarHBondContact O-CG1 3.4Å; V702-I704 PolarHBondContact O-N 3.41Å | ||
| 703 | S | 55.8 | Low | 65 | Low | 48 Ų | 48 | 123.6 Ų | 123.6 | 34% | 0.336 | 70% | 0.701 | S | S | . | * | trans | -64 | 108.2 | -167.1 | 63 | 0 | 0 | 0 | 0 | 109.2 | P701 E705 R707 | P701-S703 PolarHBondContact O-N 3.47Å; S703-E705 PolarHBondContact O-N 2.83Å; S703-R707 PolarHBondContact OG-NH2 3.41Å | ||
| 704 | I | 67.7 | Low | 67.6 | Low | 180 Ų | 180 | 120.8 Ų | 120.8 | 92% | 0.923 | 68% | 0.681 | S | S | * | * | trans | -75.9 | 40.3 | 172.5 | -36.2 | -179.7 | 0 | 0 | 0 | 110 | V702 | V702-I704 WeakPolarHBondContact O-CG1 3.4Å; V702-I704 PolarHBondContact O-N 3.41Å | ||
| 705 | E | 82.9 | Confident | 70.4 | Confident | 139 Ų | 139 | 120.9 Ų | 120.9 | 65% | 0.65 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -93.7 | 126.1 | 173.1 | -178.2 | 164.8 | -140 | 0 | 0 | 107.4 | S703 R707 | S703-E705 PolarHBondContact O-N 2.83Å; E705-R707 PolarHBondContact O-N 3.09Å |
| 706 | P | 85.1 | Confident | 72.5 | Confident | 127 Ų | 127 | 117.6 Ų | 117.6 | 83% | 0.825 | 66% | 0.661 | S | S | * | * | trans | -69.1 | 103.6 | -177.8 | 27.6 | -33.9 | 0 | 0 | 0 | 110.3 | ||||
| 707 | R | 85 | Confident | 75.1 | Confident | 186 Ų | 186 | 121 Ų | 121 | 70% | 0.702 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 149.4 | 175 | -58.6 | -174.7 | -175.6 | -163.2 | 1.8 | 110.7 | S703 E705 | S703-R707 PolarHBondContact OG-NH2 3.41Å; E705-R707 PolarHBondContact O-N 3.09Å |
| 708 | I | 91.9 | Very high | 77.4 | Confident | 153 Ų | 153 | 124 Ų | 124 | 79% | 0.785 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 125.4 | 172.1 | -59.5 | 175.2 | 0 | 0 | 0 | 107.9 | V710 | I708-V710 HydrophobicContact CG2-CG2 4.44Š|
| 709 | N | 91.6 | Very high | 79.8 | Confident | 98 Ų | 98 | 123.3 Ų | 123.3 | 52% | 0.524 | 68% | 0.675 | S | S | . | * | P | Polyproline II helix | trans | -79.9 | 133.7 | 174.4 | -67.3 | -20 | 0 | 0 | 0 | 110.2 | F714 | N709-F714 HydrophobicContact CB-CB 4.3Å; N709-F714 HydrophobicContact CB-CD1 3.74Å; N709-F714 HydrophobicContact CB-CD2 3.66Å; N709-F714 HydrophobicContact CB-CE1 3.87Å; N709-F714 HydrophobicContact CB-CE2 3.79Å; N709-F714 HydrophobicContact CB-CG 3.63Å; N709-F714 HydrophobicContact CB-CZ 3.89Å |
| 710 | V | 93 | Very high | 81.9 | Confident | 114 Ų | 114 | 128.1 Ų | 128.1 | 69% | 0.691 | 69% | 0.687 | S | S | * | * | trans | -126.8 | 140.9 | 178.3 | -178.8 | 0 | 0 | 0 | 0 | 108.8 | I708 | I708-V710 HydrophobicContact CG2-CG2 4.44Š| ||
| 711 | G | 92.1 | Very high | 83.9 | Confident | 31 Ų | 31 | 132.8 Ų | 132.8 | 32% | 0.32 | 71% | 0.705 | S | S | . | * | S | Bend | trans | 138 | 159.7 | -173 | 0 | 0 | 0 | 0 | 0 | 111.3 | R713 F714 Q715 | G711-R713 PolarHBondContact O-N 3.29Å; G711-F714 PolarHBondContact O-N 3Å; G711-Q715 PolarHBondContact O-N 3.44Å; G711-Q715 VanDerWaalsContact O-N 3.07Å; G711-Q715 PolarHBondContact O-OE1 3.07Å |
| 712 | T | 91.1 | Very high | 85.8 | Confident | 141 Ų | 141 | 136.4 Ų | 136.4 | 87% | 0.865 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | -15.1 | -176.6 | 51.1 | 0 | 0 | 0 | 0 | 115.4 | F714 | T712-F714 VanDerWaalsContact C-N 3.3Š|
| 713 | R | 91.8 | Very high | 87.6 | Confident | 216 Ų | 216 | 134.6 Ų | 134.6 | 82% | 0.815 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -0.1 | 172.5 | -58.2 | -174 | -63.6 | -175.3 | -1.8 | 114 | G711 | G711-R713 PolarHBondContact O-N 3.29Š|
| 714 | F | 93.4 | Very high | 89.2 | Confident | 107 Ų | 107 | 142.6 Ų | 142.6 | 47% | 0.469 | 71% | 0.712 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -137.3 | -33.6 | -171.7 | -53.3 | -68.2 | 0 | 0 | 0 | 113.6 | N709 G711 T712 | N709-F714 HydrophobicContact CB-CB 4.3Å; N709-F714 HydrophobicContact CB-CD1 3.74Å; N709-F714 HydrophobicContact CB-CD2 3.66Å; N709-F714 HydrophobicContact CB-CE1 3.87Å; N709-F714 HydrophobicContact CB-CE2 3.79Å; N709-F714 HydrophobicContact CB-CG 3.63Å; N709-F714 HydrophobicContact CB-CZ 3.89Å; G711-F714 PolarHBondContact O-N 3Å; T712-F714 VanDerWaalsContact C-N 3.3Å |
| 715 | Q | 94.8 | Very high | 90.1 | Very high | 95 Ų | 95 | 137.2 Ų | 137.2 | 44% | 0.444 | 70% | 0.695 | S | S | . | * | S | Bend | trans | -72.8 | 148.8 | 164.5 | -85.6 | 65.9 | 58.2 | 0 | 0 | 110.4 | G711 | G711-Q715 PolarHBondContact O-N 3.44Å; G711-Q715 VanDerWaalsContact O-N 3.07Å; G711-Q715 PolarHBondContact O-OE1 3.07Å |
| 716 | A | 94.3 | Very high | 90.2 | Very high | 84 Ų | 84 | 135.7 Ų | 135.7 | 69% | 0.694 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 144.7 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 717 | E | 93.8 | Very high | 90.2 | Very high | 189 Ų | 189 | 132.4 Ų | 132.4 | 88% | 0.883 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 131.2 | 160.9 | -173.3 | 173.6 | 179.5 | 0 | 0 | 108.5 | P719 | E717-P719 WeakPolarHBondContact O-CD 3.16Š|
| 718 | I | 91.9 | Very high | 90.1 | Very high | 151 Ų | 151 | 127.7 Ų | 127.7 | 77% | 0.774 | 67% | 0.674 | S | S | * | * | trans | -98.8 | 113.3 | -179.4 | -58.7 | 177.7 | 0 | 0 | 0 | 107.2 | ||||
| 719 | P | 88.6 | Confident | 89.8 | Confident | 110 Ų | 110 | 124.2 Ų | 124.2 | 71% | 0.714 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 146.1 | 177.8 | -22.6 | 34.3 | 0 | 0 | 0 | 111.5 | E717 | E717-P719 WeakPolarHBondContact O-CD 3.16Š|
| 720 | M | 89 | Confident | 89.6 | Confident | 174 Ų | 174 | 124.6 Ų | 124.6 | 86% | 0.857 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -61 | 142.5 | 169.1 | -62.1 | -177.1 | 73.5 | 0 | 0 | 109.9 | R722 | M720-R722 PolarHBondContact O-N 3.32Š|
| 721 | M | 88.4 | Confident | 89.3 | Confident | 194 Ų | 194 | 124 Ų | 124 | 96% | 0.956 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 124.8 | 177.3 | -59.5 | -158.2 | -54.8 | 0 | 0 | 109.7 | ||
| 722 | R | 86.6 | Confident | 89.1 | Confident | 191 Ų | 191 | 130.4 Ų | 130.4 | 72% | 0.721 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 152.7 | 175.7 | -55.6 | -177.7 | 77.7 | 175.8 | 3 | 109.2 | M720 | M720-R722 PolarHBondContact O-N 3.32Š|
| 723 | D | 90.6 | Very high | 89 | Confident | 99 Ų | 99 | 132.8 Ų | 132.8 | 53% | 0.529 | 69% | 0.689 | S | S | . | * | P | Polyproline II helix | trans | -61.5 | 148.6 | 173.2 | 175.5 | 46.5 | 0 | 0 | 0 | 111.9 | A725 L726 A727 | D723-A725 VanDerWaalsContact C-N 3.31Å; D723-A725 PolarHBondContact O-N 3.27Å; D723-A725 VanDerWaalsContact OD2-CB 3.25Å; D723-A725 WeakPolarHBondContact OD2-CB 3.35Å; D723-A725 PolarHBondContact OD2-N 2.9Å; D723-A725 VanDerWaalsContact OD2-N 3.12Å; D723-L726 PolarHBondContact O-N 2.98Å; D723-A727 PolarHBondContact O-N 3.27Å |
| 724 | R | 89.2 | Confident | 88.8 | Confident | 216 Ų | 216 | 125.4 Ų | 125.4 | 82% | 0.815 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -63 | -34 | -177.7 | 179.9 | 176.7 | -81.4 | 177.6 | -6.4 | 112 | A727 A728 | R724-A727 PolarHBondContact O-N 3.32Å; R724-A728 WeakPolarHBondContact O-CB 3.44Å; R724-A728 PolarHBondContact O-N 3.02Å |
| 725 | A | 87.8 | Confident | 88.5 | Confident | 67 Ų | 67 | 125.5 Ų | 125.5 | 55% | 0.554 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -66.5 | -43.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | D723 A727 A728 A729 | D723-A725 VanDerWaalsContact C-N 3.31Å; D723-A725 PolarHBondContact O-N 3.27Å; D723-A725 VanDerWaalsContact OD2-CB 3.25Å; D723-A725 WeakPolarHBondContact OD2-CB 3.35Å; D723-A725 PolarHBondContact OD2-N 2.9Å; D723-A725 VanDerWaalsContact OD2-N 3.12Å; A725-A727 VanDerWaalsContact C-N 3.3Å; A725-A727 PolarHBondContact O-N 2.69Å; A725-A728 PolarHBondContact O-N 3.04Å; A725-A729 PolarHBondContact O-N 3.06Å |
| 726 | L | 84.7 | Confident | 88.3 | Confident | 106 Ų | 106 | 126.2 Ų | 126.2 | 56% | 0.555 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -69.1 | -26.6 | 175.6 | -63.5 | 179 | 0 | 0 | 0 | 113.1 | D723 | D723-L726 PolarHBondContact O-N 2.98Å |
| 727 | A | 84.4 | Confident | 88 | Confident | 58 Ų | 58 | 124.8 Ų | 124.8 | 48% | 0.479 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -76.3 | -34.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | D723 R724 A725 A729 D730 | D723-A727 PolarHBondContact O-N 3.27Å; R724-A727 PolarHBondContact O-N 3.32Å; A725-A727 VanDerWaalsContact C-N 3.3Å; A725-A727 PolarHBondContact O-N 2.69Å; A727-A729 PolarHBondContact O-N 2.79Å; A727-D730 PolarHBondContact O-N 2.94Å |
| 728 | A | 83.8 | Confident | 87.9 | Confident | 87 Ų | 87 | 120.2 Ų | 120.2 | 72% | 0.719 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -69.2 | -21 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | R724 A725 | R724-A728 WeakPolarHBondContact O-CB 3.44Å; R724-A728 PolarHBondContact O-N 3.02Å; A725-A728 PolarHBondContact O-N 3.04Å |
| 729 | A | 85.9 | Confident | 87.8 | Confident | 80 Ų | 80 | 116.3 Ų | 116.3 | 66% | 0.661 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -3.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | A725 A727 P731 | A725-A729 PolarHBondContact O-N 3.06Å; A727-A729 PolarHBondContact O-N 2.79Å; A729-P731 WeakPolarHBondContact O-CD 3.5Å |
| 730 | D | 86 | Confident | 87.8 | Confident | 106 Ų | 106 | 115.4 Ų | 115.4 | 57% | 0.567 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -75.6 | 118.6 | 176.3 | -169.7 | 28.7 | 0 | 0 | 0 | 109.9 | A727 H732 | A727-D730 PolarHBondContact O-N 2.94Å; D730-H732 PolarHBondContact O-N 3.4Å |
| 731 | P | 87.8 | Confident | 87.6 | Confident | 102 Ų | 102 | 109.2 Ų | 109.2 | 66% | 0.662 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 122.1 | -174.1 | 22.8 | -34 | 0 | 0 | 0 | 111.9 | A729 K733 | A729-P731 WeakPolarHBondContact O-CD 3.5Å; P731-K733 PolarHBondContact O-N 2.85Å |
| 732 | H | 86.6 | Confident | 87.3 | Confident | 166 Ų | 166 | 107.9 Ų | 107.9 | 77% | 0.769 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 131.1 | -175.5 | -158.9 | 70.1 | 0 | 0 | 0 | 111.7 | D730 A734 | D730-H732 PolarHBondContact O-N 3.4Å; H732-A734 VanDerWaalsContact C-N 3.27Å; H732-A734 PolarHBondContact O-N 3.13Å |
| 733 | K | 89 | Confident | 86.9 | Confident | 191 Ų | 191 | 102.4 Ų | 102.4 | 83% | 0.83 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -90.8 | 24.1 | -170.8 | -56 | -175.1 | -177.2 | 179.1 | 0 | 113.8 | P731 | P731-K733 PolarHBondContact O-N 2.85Š|
| 734 | A | 88.8 | Confident | 86.4 | Confident | 60 Ų | 60 | 98.2 Ų | 98.2 | 50% | 0.496 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -143.1 | 133.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | H732 | H732-A734 VanDerWaalsContact C-N 3.27Å; H732-A734 PolarHBondContact O-N 3.13Å |
| 735 | D | 87.4 | Confident | 85.8 | Confident | 109 Ų | 109 | 93.4 Ų | 93.4 | 58% | 0.583 | 52% | 0.521 | S | S | * | . | trans | -85.7 | 148 | -179.6 | -50.8 | -81.4 | 0 | 0 | 0 | 112 | V737 P806 | D735-V737 PolarHBondContact O-N 2.84Å; D735-P806 HydrophobicContact CB-CB 3.54Å; D735-P806 HydrophobicContact CB-CG 3.89Å | ||
| 736 | L | 89.4 | Confident | 85.4 | Confident | 110 Ų | 110 | 95 Ų | 95 | 58% | 0.576 | 53% | 0.528 | S | S | * | . | trans | -77.9 | 110.4 | 175.3 | -173.1 | 66.5 | 0 | 0 | 0 | 110.3 | W738 H781 | L736-W738 VanDerWaalsContact CD1-O 3.31Å; L736-W738 WeakPolarHBondContact CD1-O 3.46Å; L736-H781 PolarHBondContact O-CE1 3.13Å; L736-H781 VanDerWaalsContact O-CE1 3.26Å | ||
| 737 | V | 88.6 | Confident | 85.5 | Confident | 55 Ų | 55 | 91.3 Ų | 91.3 | 33% | 0.333 | 51% | 0.511 | S | S | . | . | trans | -107.7 | -13.9 | -178.6 | -60.9 | 0 | 0 | 0 | 0 | 114.1 | D735 H781 L807 | D735-V737 PolarHBondContact O-N 2.84Å; V737-H781 PolarHBondContact O-ND1 2.83Å; V737-L807 HydrophobicContact CB-CD1 4.37Å; V737-L807 HydrophobicContact CG1-CD1 4.18Å; V737-L807 HydrophobicContact CG1-CD2 3.82Å; V737-L807 HydrophobicContact CG1-CG 4.04Å | ||
| 738 | W | 90.7 | Very high | 85.7 | Confident | 92 Ų | 92 | 97.1 Ų | 97.1 | 35% | 0.348 | 52% | 0.521 | S | S | . | . | trans | -158 | 143.9 | 174.8 | 178.7 | -95 | 0 | 0 | 0 | 109.5 | L736 L777 L780 H781 | L736-W738 VanDerWaalsContact CD1-O 3.31Å; L736-W738 WeakPolarHBondContact CD1-O 3.46Å; W738-L777 HydrophobicContact CE3-CB 4.3Å; W738-L777 HydrophobicContact CE3-CD2 4.44Å; W738-L777 HydrophobicContact CH2-CD2 4.05Å; W738-L777 HydrophobicContact CZ3-CB 4.25Å; W738-L777 HydrophobicContact CZ3-CD2 3.84Å; W738-L777 WeakPolarHBondContact CZ3-O 3.49Å; W738-L780 HydrophobicContact CH2-CD2 4.01Å; W738-L780 HydrophobicContact CH2-CG 4.44Å; W738-L780 HydrophobicContact CZ3-CB 4.27Å; W738-L780 HydrophobicContact CZ3-CD2 4.25Å; W738-L780 HydrophobicContact CZ3-CG 4.37Å; W738-H781 HydrophobicContact CE3-CB 4.05Å; W738-H781 HydrophobicContact CZ3-CB 4.5Å | ||
| 739 | Q | 90.2 | Very high | 85.9 | Confident | 70 Ų | 70 | 98 Ų | 98 | 33% | 0.327 | 51% | 0.51 | S | S | . | . | trans | -134.7 | 147.2 | 164.1 | 68.5 | -177.5 | 17 | 0 | 0 | 109.8 | W741 H781 | Q739-W741 HydrophobicContact CG-CD2 4.4Å; Q739-W741 HydrophobicContact CG-CH2 4.47Å; Q739-W741 HydrophobicContact CG-CZ2 3.8Å; Q739-W741 PolarHBondContact O-NE1 2.54Å; Q739-H781 PolarHBondContact N-CD2 3.4Å | ||
| 740 | P | 88 | Confident | 85.9 | Confident | 91 Ų | 91 | 98 Ų | 98 | 59% | 0.591 | 50% | 0.495 | S | S | * | . | trans | -56.6 | 145.4 | 169.3 | -23.3 | 35 | 0 | 0 | 0 | 111.1 | E745 | P740-E745 WeakPolarHBondContact CB-OE1 3.49Š| ||
| 741 | W | 85.4 | Confident | 86 | Confident | 43 Ų | 43 | 96.5 Ų | 96.5 | 16% | 0.163 | 49% | 0.485 | C | S | . | . | trans | -127.3 | 101.6 | 178.6 | -68.6 | 103.5 | 0 | 0 | 0 | 109 | Q739 H743 L744 E745 R784 | Q739-W741 HydrophobicContact CG-CD2 4.4Å; Q739-W741 HydrophobicContact CG-CH2 4.47Å; Q739-W741 HydrophobicContact CG-CZ2 3.8Å; Q739-W741 PolarHBondContact O-NE1 2.54Å; W741-H743 AromaticContact CD2-CE1 3.87Å; W741-H743 AromaticContact CE3-CE1 3.46Å; W741-H743 VanDerWaalsContact CE3-CE1 3.46Å; W741-H743 AromaticContact CE3-ND1 3.88Å; W741-H743 PolarHBondContact O-N 3.08Å; W741-H743 VanDerWaalsContact O-N 3.1Å; W741-L744 HydrophobicContact CB-CB 4.22Å; W741-L744 HydrophobicContact CB-CD1 4.05Å; W741-L744 HydrophobicContact CB-CG 4.16Å; W741-L744 HydrophobicContact CG-CD1 4.44Å; W741-L744 WeakPolarHBondContact O-CB 3.39Å; W741-L744 PolarHBondContact O-N 3.22Å; W741-E745 PolarHBondContact O-N 3.03Å; W741-R784 HydrophobicContact CH2-CB 3.68Å; W741-R784 HydrophobicContact CH2-CG 4.21Å; W741-R784 HydrophobicContact CZ2-CB 3.97Å; W741-R784 HydrophobicContact CZ3-CB 4.42Å | ||
| 742 | E | 82.9 | Confident | 86.2 | Confident | 166 Ų | 166 | 98.6 Ų | 98.6 | 78% | 0.776 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -55.1 | -34 | -177.8 | -60.6 | -177.8 | 166.2 | 0 | 0 | 112.2 | L744 E745 S746 | E742-L744 VanDerWaalsContact C-N 3.26Å; E742-L744 PolarHBondContact O-N 3.01Å; E742-E745 PolarHBondContact O-N 3.33Å; E742-S746 WeakPolarHBondContact O-CB 3.28Å; E742-S746 PolarHBondContact O-N 3.3Å; E742-S746 PolarHBondContact O-OG 3.43Å |
| 743 | H | 78.5 | Confident | 86.4 | Confident | 77 Ų | 77 | 95.4 Ų | 95.4 | 36% | 0.356 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -72 | -12.5 | 177.8 | 73.6 | -109 | 0 | 0 | 0 | 114.8 | W741 K750 R784 | W741-H743 AromaticContact CD2-CE1 3.87Å; W741-H743 AromaticContact CE3-CE1 3.46Å; W741-H743 VanDerWaalsContact CE3-CE1 3.46Å; W741-H743 AromaticContact CE3-ND1 3.88Å; W741-H743 PolarHBondContact O-N 3.08Å; W741-H743 VanDerWaalsContact O-N 3.1Å; H743-K750 WeakPolarHBondContact O-CD 3.49Å; H743-K750 PolarHBondContact O-NZ 3.4Å; H743-R784 PolarHBondContact CE1-O 3.15Å |
| 744 | L | 79 | Confident | 86.5 | Confident | 10 Ų | 10 | 86.7 Ų | 86.7 | 5% | 0.052 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -94.8 | -46.5 | 169.1 | -73.6 | 177.8 | 0 | 0 | 0 | 110.4 | W741 E742 S746 S747 K750 V754 L780 I787 | W741-L744 HydrophobicContact CB-CB 4.22Å; W741-L744 HydrophobicContact CB-CD1 4.05Å; W741-L744 HydrophobicContact CB-CG 4.16Å; W741-L744 HydrophobicContact CG-CD1 4.44Å; W741-L744 WeakPolarHBondContact O-CB 3.39Å; W741-L744 PolarHBondContact O-N 3.22Å; E742-L744 VanDerWaalsContact C-N 3.26Å; E742-L744 PolarHBondContact O-N 3.01Å; L744-S746 PolarHBondContact O-N 3.09Å; L744-S747 PolarHBondContact O-N 2.88Å; L744-K750 HydrophobicContact CD2-CB 4.11Å; L744-K750 HydrophobicContact CD2-CD 4.33Å; L744-V754 HydrophobicContact CD1-CG2 4.26Å; L744-V754 HydrophobicContact CD2-CG2 4.08Å; L744-L780 HydrophobicContact CD1-CD1 4.34Å; L744-L780 HydrophobicContact CD1-CD2 4.06Å; L744-L780 HydrophobicContact CD1-CG 4.29Å; L744-I787 HydrophobicContact CD2-CD1 4.05Å; L744-I787 HydrophobicContact CD2-CG1 4.22Å |
| 745 | E | 76.6 | Confident | 86.6 | Confident | 115 Ų | 115 | 87.7 Ų | 87.7 | 54% | 0.537 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -71.3 | -28.9 | -174.9 | -66.6 | 176.8 | -154.3 | 0 | 0 | 113.2 | P740 W741 E742 S747 | P740-E745 WeakPolarHBondContact CB-OE1 3.49Å; W741-E745 PolarHBondContact O-N 3.03Å; E742-E745 PolarHBondContact O-N 3.33Å; E745-S747 VanDerWaalsContact C-N 3.34Å; E745-S747 PolarHBondContact O-N 3.01Å |
| 746 | S | 79.5 | Confident | 86.8 | Confident | 100 Ų | 100 | 86.4 Ų | 86.4 | 70% | 0.699 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -19.5 | 178.2 | 54.3 | 0 | 0 | 0 | 0 | 114.9 | E742 L744 | E742-S746 WeakPolarHBondContact O-CB 3.28Å; E742-S746 PolarHBondContact O-N 3.3Å; E742-S746 PolarHBondContact O-OG 3.43Å; L744-S746 PolarHBondContact O-N 3.09Å |
| 747 | S | 86.3 | Confident | 86.8 | Confident | 30 Ų | 30 | 81.6 Ų | 81.6 | 21% | 0.21 | 39% | 0.392 | C | S | . | . | trans | -114.5 | 116 | 178.7 | 175 | 0 | 0 | 0 | 0 | 110.9 | L744 E745 E749 K750 Q751 | L744-S747 PolarHBondContact O-N 2.88Å; E745-S747 VanDerWaalsContact C-N 3.34Å; E745-S747 PolarHBondContact O-N 3.01Å; S747-E749 PolarHBondContact O-N 3.09Å; S747-E749 VanDerWaalsContact O-N 3.14Å; S747-E749 PolarHBondContact OG-N 3.33Å; S747-K750 PolarHBondContact O-N 3.18Å; S747-K750 VanDerWaalsContact O-N 3.09Å; S747-K750 PolarHBondContact OG-N 2.87Å; S747-Q751 PolarHBondContact O-N 3.24Å | ||
| 748 | W | 88.3 | Confident | 86.9 | Confident | 179 Ų | 179 | 80.2 Ų | 80.2 | 68% | 0.678 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -57.5 | -28.2 | 174.8 | 77.5 | -85.1 | 0 | 0 | 0 | 112.5 | R752 | W748-R752 WeakPolarHBondContact O-CB 3.44Å; W748-R752 PolarHBondContact O-N 3.4Å |
| 749 | E | 88.4 | Confident | 86.8 | Confident | 106 Ų | 106 | 80.2 Ų | 80.2 | 50% | 0.495 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -71.9 | -43 | 177.6 | -57.4 | 179.9 | 169.8 | 0 | 0 | 111.1 | S747 R752 Q753 | S747-E749 PolarHBondContact O-N 3.09Å; S747-E749 VanDerWaalsContact O-N 3.14Å; S747-E749 PolarHBondContact OG-N 3.33Å; E749-R752 PolarHBondContact O-N 2.75Å; E749-Q753 VanDerWaalsContact O-CG 3.27Å; E749-Q753 WeakPolarHBondContact O-CG 3.38Å; E749-Q753 PolarHBondContact O-N 3.31Å |
| 750 | K | 85.9 | Confident | 86.6 | Confident | 80 Ų | 80 | 78.4 Ų | 78.4 | 35% | 0.348 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -70.7 | -41 | 175.6 | -68 | -178.5 | -177.9 | -176.9 | 0 | 111.9 | H743 L744 S747 R752 Q753 V754 | H743-K750 WeakPolarHBondContact O-CD 3.49Å; H743-K750 PolarHBondContact O-NZ 3.4Å; L744-K750 HydrophobicContact CD2-CB 4.11Å; L744-K750 HydrophobicContact CD2-CD 4.33Å; S747-K750 PolarHBondContact O-N 3.18Å; S747-K750 VanDerWaalsContact O-N 3.09Å; S747-K750 PolarHBondContact OG-N 2.87Å; K750-R752 PolarHBondContact O-N 2.98Å; K750-Q753 CarbonylContact O-C 3.6Å; K750-Q753 WeakPolarHBondContact O-CB 3.48Å; K750-Q753 PolarHBondContact O-N 3.27Å; K750-Q753 VanDerWaalsContact O-N 3.07Å; K750-V754 WeakPolarHBondContact O-CG2 3.1Å; K750-V754 PolarHBondContact O-N 2.94Å |
| 751 | Q | 89.5 | Confident | 86.5 | Confident | 75 Ų | 75 | 74 Ų | 74 | 35% | 0.35 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -56.9 | -42.3 | 172 | -179.5 | 56.8 | 53.2 | 0 | 0 | 110.9 | S747 V754 D755 | S747-Q751 PolarHBondContact O-N 3.24Å; Q751-V754 PolarHBondContact O-N 3.31Å; Q751-D755 PolarHBondContact NE2-OD1 3.19Å; Q751-D755 PolarHBondContact O-N 3.01Å |
| 752 | R | 91.4 | Very high | 86.2 | Confident | 146 Ų | 146 | 74.6 Ų | 74.6 | 55% | 0.551 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -64.8 | -41.8 | 172.7 | 179.5 | -177.9 | 165.3 | -167.2 | -3.2 | 112.5 | W748 E749 K750 V754 D755 D756 | W748-R752 WeakPolarHBondContact O-CB 3.44Å; W748-R752 PolarHBondContact O-N 3.4Å; E749-R752 PolarHBondContact O-N 2.75Å; K750-R752 PolarHBondContact O-N 2.98Å; R752-V754 PolarHBondContact O-N 3.4Å; R752-D755 PolarHBondContact O-N 3.17Å; R752-D755 VanDerWaalsContact O-N 3.15Å; R752-D756 IonicContact NE-OD2 2.78Å; R752-D756 PolarHBondContact NE-OD2 3.5Å; R752-D756 IonicContact NH2-OD2 2.7Å; R752-D756 WeakPolarHBondContact O-CB 3.31Å; R752-D756 PolarHBondContact O-N 3.35Å |
| 753 | Q | 90.7 | Very high | 86.2 | Confident | 98 Ų | 98 | 69 Ų | 69 | 46% | 0.458 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.7 | -33.1 | 175.2 | -72.1 | 164 | 1.9 | 0 | 0 | 112.1 | E749 K750 L757 I787 | E749-Q753 VanDerWaalsContact O-CG 3.27Å; E749-Q753 WeakPolarHBondContact O-CG 3.38Å; E749-Q753 PolarHBondContact O-N 3.31Å; K750-Q753 CarbonylContact O-C 3.6Å; K750-Q753 WeakPolarHBondContact O-CB 3.48Å; K750-Q753 PolarHBondContact O-N 3.27Å; K750-Q753 VanDerWaalsContact O-N 3.07Å; Q753-L757 WeakPolarHBondContact O-CB 3.4Å; Q753-L757 PolarHBondContact O-N 2.87Å; Q753-I787 HydrophobicContact CB-CD1 3.6Å |
| 754 | V | 91.1 | Very high | 86 | Confident | 9 Ų | 9 | 70.9 Ų | 70.9 | 6% | 0.055 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -68.9 | -44.7 | 170.9 | 174.3 | 0 | 0 | 0 | 0 | 111 | L744 K750 Q751 R752 D756 L757 L758 L780 I787 | L744-V754 HydrophobicContact CD1-CG2 4.26Å; L744-V754 HydrophobicContact CD2-CG2 4.08Å; K750-V754 WeakPolarHBondContact O-CG2 3.1Å; K750-V754 PolarHBondContact O-N 2.94Å; Q751-V754 PolarHBondContact O-N 3.31Å; R752-V754 PolarHBondContact O-N 3.4Å; V754-D756 VanDerWaalsContact C-N 3.31Å; V754-D756 PolarHBondContact O-N 3.2Å; V754-L757 WeakPolarHBondContact O-CB 3.44Å; V754-L757 PolarHBondContact O-N 3.49Å; V754-L758 HydrophobicContact CG1-CD1 4.05Å; V754-L758 HydrophobicContact CG1-CG 4.31Å; V754-L758 WeakPolarHBondContact O-CB 3.41Å; V754-L758 VanDerWaalsContact O-CG 3.27Å; V754-L758 WeakPolarHBondContact O-CG 3.33Å; V754-L758 PolarHBondContact O-N 3.07Å; V754-L780 HydrophobicContact CG1-CD2 3.88Å; V754-L780 HydrophobicContact CG2-CD2 3.84Å; V754-I787 HydrophobicContact CG2-CD1 3.82Å; V754-I787 HydrophobicContact CG2-CG1 4.19Å |
| 755 | D | 91.1 | Very high | 85.8 | Confident | 80 Ų | 80 | 75.6 Ų | 75.6 | 43% | 0.428 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.8 | -38.3 | 174.8 | -71 | -25 | 0 | 0 | 0 | 112.2 | Q751 R752 L758 T759 | Q751-D755 PolarHBondContact NE2-OD1 3.19Å; Q751-D755 PolarHBondContact O-N 3.01Å; R752-D755 PolarHBondContact O-N 3.17Å; R752-D755 VanDerWaalsContact O-N 3.15Å; D755-L758 PolarHBondContact O-N 3.23Å; D755-T759 WeakPolarHBondContact O-CB 3.14Å; D755-T759 PolarHBondContact O-N 2.9Å; D755-T759 PolarHBondContact O-OG1 2.69Å |
| 756 | D | 91.2 | Very high | 85.7 | Confident | 83 Ų | 83 | 70.5 Ų | 70.5 | 44% | 0.444 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67.8 | -39.3 | 174.5 | -74.4 | -32.2 | 0 | 0 | 0 | 110.7 | R752 V754 T759 A760 | R752-D756 IonicContact NE-OD2 2.78Å; R752-D756 PolarHBondContact NE-OD2 3.5Å; R752-D756 IonicContact NH2-OD2 2.7Å; R752-D756 WeakPolarHBondContact O-CB 3.31Å; R752-D756 PolarHBondContact O-N 3.35Å; V754-D756 VanDerWaalsContact C-N 3.31Å; V754-D756 PolarHBondContact O-N 3.2Å; D756-T759 PolarHBondContact O-N 2.9Å; D756-A760 WeakPolarHBondContact O-CB 3.33Å; D756-A760 PolarHBondContact O-N 3.28Å |
| 757 | L | 89.6 | Confident | 84.9 | Confident | 8 Ų | 8 | 69.5 Ų | 69.5 | 4% | 0.042 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 171.2 | 175.5 | 66.5 | 0 | 0 | 0 | 112.2 | Q753 V754 T759 A760 A761 I787 A790 L791 | Q753-L757 WeakPolarHBondContact O-CB 3.4Å; Q753-L757 PolarHBondContact O-N 2.87Å; V754-L757 WeakPolarHBondContact O-CB 3.44Å; V754-L757 PolarHBondContact O-N 3.49Å; L757-T759 PolarHBondContact O-N 2.83Å; L757-A760 PolarHBondContact O-N 3.13Å; L757-A761 WeakPolarHBondContact O-CB 3.4Å; L757-A761 PolarHBondContact O-N 3.36Å; L757-I787 HydrophobicContact CB-CG2 4.37Å; L757-I787 HydrophobicContact CD2-CG2 4.05Å; L757-A790 HydrophobicContact CD2-CB 4.39Å; L757-L791 HydrophobicContact CD1-CB 4.05Å; L757-L791 HydrophobicContact CD1-CD1 4.2Å; L757-L791 HydrophobicContact CD1-CG 4.38Å |
| 758 | L | 89.6 | Confident | 83.8 | Confident | 26 Ų | 26 | 69.1 Ų | 69.1 | 14% | 0.136 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -67.8 | -26.1 | 177.5 | -67.1 | 175.4 | 0 | 0 | 0 | 112.5 | V754 D755 Q773 A776 L777 | V754-L758 HydrophobicContact CG1-CD1 4.05Å; V754-L758 HydrophobicContact CG1-CG 4.31Å; V754-L758 WeakPolarHBondContact O-CB 3.41Å; V754-L758 VanDerWaalsContact O-CG 3.27Å; V754-L758 WeakPolarHBondContact O-CG 3.33Å; V754-L758 PolarHBondContact O-N 3.07Å; D755-L758 PolarHBondContact O-N 3.23Å; L758-Q773 HydrophobicContact CD2-CB 4.37Å; L758-Q773 PolarHBondContact O-NE2 3.09Å; L758-Q773 VanDerWaalsContact O-NE2 3.15Å; L758-A776 HydrophobicContact CD2-CB 3.88Å; L758-L777 HydrophobicContact CD1-CD2 4.2Å; L758-L777 HydrophobicContact CD2-CD2 3.99Å; L758-L777 HydrophobicContact CD2-CG 3.87Å |
| 759 | T | 89.1 | Confident | 81.9 | Confident | 93 Ų | 93 | 63.5 Ų | 63.5 | 57% | 0.571 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -75.7 | -43.8 | 171.4 | -59.9 | 0 | 0 | 0 | 0 | 110.7 | D755 D756 L757 A761 C762 S763 | D755-T759 WeakPolarHBondContact O-CB 3.14Å; D755-T759 PolarHBondContact O-N 2.9Å; D755-T759 PolarHBondContact O-OG1 2.69Å; D756-T759 PolarHBondContact O-N 2.9Å; L757-T759 PolarHBondContact O-N 2.83Å; T759-A761 VanDerWaalsContact C-N 3.31Å; T759-A761 PolarHBondContact O-N 2.88Å; T759-C762 PolarHBondContact O-N 3.24Å; T759-C762 VanDerWaalsContact O-N 3.15Å; T759-S763 PolarHBondContact O-N 3Å |
| 760 | A | 86.6 | Confident | 80.4 | Confident | 31 Ų | 31 | 60.6 Ų | 60.6 | 26% | 0.256 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.1 | -40.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | D756 L757 C762 S763 F766 | D756-A760 WeakPolarHBondContact O-CB 3.33Å; D756-A760 PolarHBondContact O-N 3.28Å; L757-A760 PolarHBondContact O-N 3.13Å; A760-C762 PolarHBondContact O-N 3.36Å; A760-S763 WeakPolarHBondContact O-CB 3.46Å; A760-S763 PolarHBondContact O-N 3.33Å; A760-S763 PolarHBondContact O-OG 3.2Å; A760-F766 HydrophobicContact CB-CE2 4.13Å; A760-F766 VanDerWaalsContact O-CD2 3.31Å; A760-F766 WeakPolarHBondContact O-CD2 3.45Å; A760-F766 WeakPolarHBondContact O-CE2 3.43Å |
| 761 | A | 85.3 | Confident | 79.2 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -26.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L757 T759 A776 L794 | L757-A761 WeakPolarHBondContact O-CB 3.4Å; L757-A761 PolarHBondContact O-N 3.36Å; T759-A761 VanDerWaalsContact C-N 3.31Å; T759-A761 PolarHBondContact O-N 2.88Å; A761-A776 HydrophobicContact CB-CB 3.76Å; A761-L794 HydrophobicContact CB-CD2 3.97Å |
| 762 | C | 80.3 | Confident | 78.4 | Confident | 54 Ų | 54 | 55.7 Ų | 55.7 | 37% | 0.365 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -8.5 | 173.1 | -85.6 | 0 | 0 | 0 | 0 | 114.3 | T759 A760 Q773 | T759-C762 PolarHBondContact O-N 3.24Å; T759-C762 VanDerWaalsContact O-N 3.15Å; A760-C762 PolarHBondContact O-N 3.36Å; C762-Q773 WeakPolarHBondContact SG-CG 3.32Å |
| 763 | S | 81.1 | Confident | 78.2 | Confident | 48 Ų | 48 | 53 Ų | 53 | 34% | 0.336 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -87.5 | 169.7 | -178 | 80.8 | 0 | 0 | 0 | 0 | 112.8 | T759 A760 I765 | T759-S763 PolarHBondContact O-N 3Å; A760-S763 WeakPolarHBondContact O-CB 3.46Å; A760-S763 PolarHBondContact O-N 3.33Å; A760-S763 PolarHBondContact O-OG 3.2Å; S763-I765 PolarHBondContact O-N 3.07Å; S763-I765 VanDerWaalsContact O-N 3.14Å; S763-I765 WeakPolarHBondContact OG-CG2 3.48Å; S763-I765 PolarHBondContact OG-N 3.28Å |
| 764 | S | 75.2 | Confident | 78 | Confident | 118 Ų | 118 | 51.6 Ų | 51.6 | 83% | 0.825 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | 4 | 178.9 | 55.9 | 0 | 0 | 0 | 0 | 114.9 | F766 | S764-F766 VanDerWaalsContact C-N 3.28Å; S764-F766 PolarHBondContact O-N 3.3Å |
| 765 | I | 75.8 | Confident | 77.7 | Confident | 109 Ų | 109 | 52 Ų | 52 | 56% | 0.559 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -23.5 | 177 | -159.9 | 174.8 | 0 | 0 | 0 | 112.5 | S763 | S763-I765 PolarHBondContact O-N 3.07Å; S763-I765 VanDerWaalsContact O-N 3.14Å; S763-I765 WeakPolarHBondContact OG-CG2 3.48Å; S763-I765 PolarHBondContact OG-N 3.28Å |
| 766 | F | 73.4 | Confident | 77.6 | Confident | 8 Ų | 8 | 48.3 Ų | 48.3 | 4% | 0.035 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -110.8 | 143.8 | -178.2 | -61 | -67.6 | 0 | 0 | 0 | 112.4 | A760 S764 L794 L795 | A760-F766 HydrophobicContact CB-CE2 4.13Å; A760-F766 VanDerWaalsContact O-CD2 3.31Å; A760-F766 WeakPolarHBondContact O-CD2 3.45Å; A760-F766 WeakPolarHBondContact O-CE2 3.43Å; S764-F766 VanDerWaalsContact C-N 3.28Å; S764-F766 PolarHBondContact O-N 3.3Å; F766-L794 HydrophobicContact CD1-CB 4.22Å; F766-L794 HydrophobicContact CD1-CD2 4.2Å; F766-L794 HydrophobicContact CD1-CG 3.64Å; F766-L794 WeakPolarHBondContact CD1-O 3.26Å; F766-L794 HydrophobicContact CD2-CD2 3.93Å; F766-L794 HydrophobicContact CD2-CG 4.19Å; F766-L794 HydrophobicContact CE1-CB 3.78Å; F766-L794 HydrophobicContact CE1-CD2 3.85Å; F766-L794 HydrophobicContact CE1-CG 3.55Å; F766-L794 HydrophobicContact CE2-CD2 3.58Å; F766-L794 HydrophobicContact CE2-CG 4.12Å; F766-L794 HydrophobicContact CG-CD2 4.23Å; F766-L794 HydrophobicContact CG-CG 3.95Å; F766-L794 HydrophobicContact CZ-CB 4.2Å; F766-L794 HydrophobicContact CZ-CD2 3.54Å; F766-L794 HydrophobicContact CZ-CG 3.81Å; F766-L795 HydrophobicContact CD1-CD2 3.97Å; F766-L795 HydrophobicContact CE1-CB 4.48Å; F766-L795 HydrophobicContact CE1-CD2 3.51Å; F766-L795 HydrophobicContact CE1-CG 3.79Å; F766-L795 HydrophobicContact CZ-CD2 4.41Å |
| 767 | P | 62.9 | Low | 77.6 | Confident | 79 Ų | 79 | 47.2 Ų | 47.2 | 51% | 0.513 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 149 | 173.4 | 28.3 | -34.2 | 0 | 0 | 0 | 111.5 | N772 | P767-N772 PolarHBondContact O-ND2 3.37Å; P767-N772 VanDerWaalsContact O-ND2 3.11Å |
| 768 | G | 62.7 | Low | 77.5 | Confident | 21 Ų | 21 | 47.9 Ų | 47.9 | 22% | 0.216 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 27.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | G770 | G768-G770 PolarHBondContact O-N 2.96Š|
| 769 | A | 49.6 | Very low | 77.5 | Confident | 61 Ų | 61 | 47.1 Ų | 47.1 | 50% | 0.504 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | 121 | -174 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 770 | G | 56.5 | Low | 77.5 | Confident | 46 Ų | 46 | 42.7 Ų | 42.7 | 47% | 0.474 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 161 | -37.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | G768 | G768-G770 PolarHBondContact O-N 2.96Š|
| 771 | T | 60.6 | Low | 77.7 | Confident | 46 Ų | 46 | 42.8 Ų | 42.8 | 28% | 0.282 | 27% | 0.267 | S | S | . | . | trans | -148.7 | 7.8 | -162.1 | 31.7 | 0 | 0 | 0 | 0 | 115 | Q773 T813 G814 | T771-Q773 PolarHBondContact O-N 3.1Å; T771-T813 VanDerWaalsContact CB-O 3.25Å; T771-T813 WeakPolarHBondContact CB-O 3.37Å; T771-T813 PolarHBondContact OG1-O 3.39Å; T771-G814 VanDerWaalsContact OG1-CA 3.26Å; T771-G814 WeakPolarHBondContact OG1-CA 3.43Å | ||
| 772 | N | 72.9 | Confident | 77.9 | Confident | 6 Ų | 6 | 45.8 Ų | 45.8 | 3% | 0.032 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | 18 | -170.1 | -64.4 | -19.9 | 0 | 0 | 0 | 116.1 | P767 E774 L775 A776 | P767-N772 PolarHBondContact O-ND2 3.37Å; P767-N772 VanDerWaalsContact O-ND2 3.11Å; N772-E774 VanDerWaalsContact C-N 3.34Å; N772-L775 HydrophobicContact CB-CB 4.23Å; N772-L775 HydrophobicContact CB-CD2 4.47Å; N772-L775 PolarHBondContact O-N 3.41Å; N772-A776 WeakPolarHBondContact O-CB 3.48Å; N772-A776 PolarHBondContact O-N 3.25Å |
| 773 | Q | 85.9 | Confident | 78.3 | Confident | 89 Ų | 89 | 43.4 Ų | 43.4 | 42% | 0.416 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.3 | -40.3 | 174.9 | -57.2 | -165.3 | -50.9 | 0 | 0 | 111.6 | L758 C762 T771 L775 A776 L777 | L758-Q773 HydrophobicContact CD2-CB 4.37Å; L758-Q773 PolarHBondContact O-NE2 3.09Å; L758-Q773 VanDerWaalsContact O-NE2 3.15Å; C762-Q773 WeakPolarHBondContact SG-CG 3.32Å; T771-Q773 PolarHBondContact O-N 3.1Å; Q773-L775 VanDerWaalsContact C-N 3.31Å; Q773-L775 PolarHBondContact O-N 3.43Å; Q773-A776 PolarHBondContact O-N 3.35Å; Q773-L777 WeakPolarHBondContact O-CG 3.29Å; Q773-L777 PolarHBondContact O-N 3.38Å |
| 774 | E | 87.1 | Confident | 78.6 | Confident | 69 Ų | 69 | 50.5 Ų | 50.5 | 32% | 0.322 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.2 | -39.7 | 173.3 | -65.2 | 171.3 | 159.4 | 0 | 0 | 111.2 | N772 H778 Y812 T813 | N772-E774 VanDerWaalsContact C-N 3.34Å; E774-H778 WeakPolarHBondContact O-CB 3.19Å; E774-H778 PolarHBondContact O-CD2 3.27Å; E774-H778 PolarHBondContact O-N 3.03Å; E774-Y812 HydrophobicContact CB-CD1 3.96Å; E774-Y812 HydrophobicContact CB-CE1 4.2Å; E774-T813 PolarHBondContact OE2-OG1 3.2Å; E774-T813 VanDerWaalsContact OE2-OG1 3.14Å |
| 775 | L | 86 | Confident | 79.2 | Confident | 18 Ų | 18 | 45 Ų | 45 | 9% | 0.094 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.6 | -42.3 | 177.2 | 178.3 | 61.2 | 0 | 0 | 0 | 112 | N772 Q773 H778 Y779 L794 Y812 | N772-L775 HydrophobicContact CB-CB 4.23Å; N772-L775 HydrophobicContact CB-CD2 4.47Å; N772-L775 PolarHBondContact O-N 3.41Å; Q773-L775 VanDerWaalsContact C-N 3.31Å; Q773-L775 PolarHBondContact O-N 3.43Å; L775-H778 PolarHBondContact O-N 3.44Å; L775-Y779 HydrophobicContact CD1-CD2 3.95Å; L775-Y779 HydrophobicContact CD1-CE2 3.72Å; L775-Y779 HydrophobicContact CD2-CE2 4.35Å; L775-Y779 HydrophobicContact CG-CD2 4.01Å; L775-Y779 HydrophobicContact CG-CE2 3.94Å; L775-Y779 PolarHBondContact O-N 3.47Å; L775-L794 HydrophobicContact CD2-CD1 3.7Å; L775-L794 HydrophobicContact CG-CD1 3.82Å; L775-Y812 HydrophobicContact CB-CD1 3.87Å; L775-Y812 HydrophobicContact CB-CE1 3.74Å; L775-Y812 HydrophobicContact CB-CG 4.4Å; L775-Y812 HydrophobicContact CD1-CD2 4.38Å; L775-Y812 HydrophobicContact CD1-CE1 4.05Å; L775-Y812 HydrophobicContact CD1-CE2 3.75Å |
| 776 | A | 89.1 | Confident | 79.9 | Confident | 2 Ų | 2 | 43.6 Ų | 43.6 | 2% | 0.017 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.5 | -41 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L758 A761 N772 Q773 Y779 L780 L794 | L758-A776 HydrophobicContact CD2-CB 3.88Å; A761-A776 HydrophobicContact CB-CB 3.76Å; N772-A776 WeakPolarHBondContact O-CB 3.48Å; N772-A776 PolarHBondContact O-N 3.25Å; Q773-A776 PolarHBondContact O-N 3.35Å; A776-Y779 PolarHBondContact O-N 2.88Å; A776-L780 WeakPolarHBondContact O-CB 3.42Å; A776-L780 PolarHBondContact O-N 3.46Å; A776-L794 HydrophobicContact CB-CD2 4.03Å |
| 777 | L | 89.5 | Confident | 80.7 | Confident | 59 Ų | 59 | 44.5 Ų | 44.5 | 31% | 0.309 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.3 | -44.5 | 173.2 | -70.9 | 173 | 0 | 0 | 0 | 112.1 | W738 L758 Q773 Y779 L780 H781 | W738-L777 HydrophobicContact CE3-CB 4.3Å; W738-L777 HydrophobicContact CE3-CD2 4.44Å; W738-L777 HydrophobicContact CH2-CD2 4.05Å; W738-L777 HydrophobicContact CZ3-CB 4.25Å; W738-L777 HydrophobicContact CZ3-CD2 3.84Å; W738-L777 WeakPolarHBondContact CZ3-O 3.49Å; L758-L777 HydrophobicContact CD1-CD2 4.2Å; L758-L777 HydrophobicContact CD2-CD2 3.99Å; L758-L777 HydrophobicContact CD2-CG 3.87Å; Q773-L777 WeakPolarHBondContact O-CG 3.29Å; Q773-L777 PolarHBondContact O-N 3.38Å; L777-Y779 VanDerWaalsContact C-N 3.31Å; L777-Y779 PolarHBondContact O-N 3.47Å; L777-L780 PolarHBondContact O-N 3.12Å; L777-H781 PolarHBondContact O-N 3.11Å |
| 778 | H | 88.9 | Confident | 81.9 | Confident | 23 Ų | 23 | 47 Ų | 47 | 11% | 0.106 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.6 | -36.6 | 176.7 | -68.5 | 179.1 | 0 | 0 | 0 | 111.8 | E774 L775 E782 L807 Y810 Y812 | E774-H778 WeakPolarHBondContact O-CB 3.19Å; E774-H778 PolarHBondContact O-CD2 3.27Å; E774-H778 PolarHBondContact O-N 3.03Å; L775-H778 PolarHBondContact O-N 3.44Å; H778-E782 WeakPolarHBondContact O-CB 3.12Å; H778-E782 PolarHBondContact O-N 2.9Å; H778-L807 HydrophobicContact CB-CD1 3.84Å; H778-L807 VanDerWaalsContact ND1-CD1 3.34Å; H778-L807 WeakPolarHBondContact ND1-CD1 3.49Å; H778-Y810 AromaticContact CE1-CE1 3.99Å; H778-Y812 WeakPolarHBondContact CB-OH 3.5Å; H778-Y812 AromaticContact ND1-CE1 3.36Å; H778-Y812 WeakPolarHBondContact ND1-CE1 3.36Å; H778-Y812 AromaticContact ND1-CZ 3.48Å; H778-Y812 PolarHBondContact ND1-OH 3.42Å |
| 779 | Y | 88.2 | Confident | 83.2 | Confident | 9 Ų | 9 | 50.2 Ų | 50.2 | 4% | 0.035 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -71.5 | -35.8 | 172.2 | -80.3 | -39.6 | 0 | 0 | 0 | 113.7 | L775 A776 L777 H781 E782 S783 K793 L794 P799 R801 | L775-Y779 HydrophobicContact CD1-CD2 3.95Å; L775-Y779 HydrophobicContact CD1-CE2 3.72Å; L775-Y779 HydrophobicContact CD2-CE2 4.35Å; L775-Y779 HydrophobicContact CG-CD2 4.01Å; L775-Y779 HydrophobicContact CG-CE2 3.94Å; L775-Y779 PolarHBondContact O-N 3.47Å; A776-Y779 PolarHBondContact O-N 2.88Å; L777-Y779 VanDerWaalsContact C-N 3.31Å; L777-Y779 PolarHBondContact O-N 3.47Å; Y779-H781 VanDerWaalsContact C-N 3.28Å; Y779-H781 PolarHBondContact O-N 3.28Å; Y779-E782 WeakPolarHBondContact CD1-OE2 3.16Å; Y779-E782 CarbonylContact O-C 3.36Å; Y779-E782 PolarHBondContact O-N 2.85Å; Y779-S783 VanDerWaalsContact O-CB 3.32Å; Y779-S783 WeakPolarHBondContact O-CB 2.9Å; Y779-S783 PolarHBondContact O-N 2.87Å; Y779-S783 PolarHBondContact O-OG 3.07Å; Y779-S783 VanDerWaalsContact O-OG 3.09Å; Y779-K793 HydrophobicContact CD1-CB 3.75Å; Y779-K793 HydrophobicContact CD1-CD 3.93Å; Y779-K793 HydrophobicContact CD1-CG 4.39Å; Y779-K793 HydrophobicContact CD2-CB 4.05Å; Y779-K793 HydrophobicContact CE1-CB 3.78Å; Y779-K793 HydrophobicContact CE1-CD 4.32Å; Y779-K793 HydrophobicContact CE1-CG 4.45Å; Y779-K793 HydrophobicContact CE2-CB 4.04Å; Y779-K793 VanDerWaalsContact CE2-O 3.28Å; Y779-K793 WeakPolarHBondContact CE2-O 3.44Å; Y779-K793 HydrophobicContact CG-CB 3.89Å; Y779-K793 PolarHBondContact OH-O 3.41Å; Y779-L794 HydrophobicContact CD2-CB 4.12Å; Y779-L794 HydrophobicContact CD2-CD1 3.99Å; Y779-L794 HydrophobicContact CE2-CB 4.35Å; Y779-L794 HydrophobicContact CE2-CD1 4.1Å; Y779-P799 WeakPolarHBondContact OH-CA 3.25Å; Y779-P799 WeakPolarHBondContact OH-CB 3.2Å; Y779-R801 VanDerWaalsContact CE1-NH2 3.32Å |
| 780 | L | 90.5 | Very high | 85.1 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.6 | -35.3 | 174.9 | -174.5 | 62.2 | 0 | 0 | 0 | 111.4 | W738 L744 V754 A776 L777 S783 R784 G785 I787 A790 | W738-L780 HydrophobicContact CH2-CD2 4.01Å; W738-L780 HydrophobicContact CH2-CG 4.44Å; W738-L780 HydrophobicContact CZ3-CB 4.27Å; W738-L780 HydrophobicContact CZ3-CD2 4.25Å; W738-L780 HydrophobicContact CZ3-CG 4.37Å; L744-L780 HydrophobicContact CD1-CD1 4.34Å; L744-L780 HydrophobicContact CD1-CD2 4.06Å; L744-L780 HydrophobicContact CD1-CG 4.29Å; V754-L780 HydrophobicContact CG1-CD2 3.88Å; V754-L780 HydrophobicContact CG2-CD2 3.84Å; A776-L780 WeakPolarHBondContact O-CB 3.42Å; A776-L780 PolarHBondContact O-N 3.46Å; L777-L780 PolarHBondContact O-N 3.12Å; L780-S783 CarbonylContact O-C 3.58Å; L780-R784 PolarHBondContact O-N 3.42Å; L780-G785 WeakPolarHBondContact CD1-O 3.46Å; L780-G785 PolarHBondContact O-N 3.37Å; L780-I787 HydrophobicContact CD1-CG1 4.17Å; L780-A790 HydrophobicContact CB-CB 4.29Å; L780-A790 HydrophobicContact CD1-CB 4.23Å |
| 781 | H | 90.6 | Very high | 86.6 | Confident | 34 Ų | 34 | 48.2 Ų | 48.2 | 16% | 0.157 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.3 | -47 | 168.9 | -179.5 | -113.9 | 0 | 0 | 0 | 112.4 | L736 V737 W738 Q739 L777 Y779 S783 R784 | L736-H781 PolarHBondContact O-CE1 3.13Å; L736-H781 VanDerWaalsContact O-CE1 3.26Å; V737-H781 PolarHBondContact O-ND1 2.83Å; W738-H781 HydrophobicContact CE3-CB 4.05Å; W738-H781 HydrophobicContact CZ3-CB 4.5Å; Q739-H781 PolarHBondContact N-CD2 3.4Å; L777-H781 PolarHBondContact O-N 3.11Å; Y779-H781 VanDerWaalsContact C-N 3.28Å; Y779-H781 PolarHBondContact O-N 3.28Å; H781-S783 PolarHBondContact O-N 2.73Å; H781-R784 PolarHBondContact O-N 3.14Å |
| 782 | E | 89.2 | Confident | 87.9 | Confident | 63 Ų | 63 | 49.3 Ų | 49.3 | 29% | 0.294 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.9 | -26.1 | 178 | -168.8 | 178.2 | 150.2 | 0 | 0 | 113.2 | H778 Y779 K793 R801 | H778-E782 WeakPolarHBondContact O-CB 3.12Å; H778-E782 PolarHBondContact O-N 2.9Å; Y779-E782 WeakPolarHBondContact CD1-OE2 3.16Å; Y779-E782 CarbonylContact O-C 3.36Å; Y779-E782 PolarHBondContact O-N 2.85Å; E782-K793 PolarHBondContact O-NZ 3.29Å; E782-R801 IonicContact OE1-NE 3.92Å; E782-R801 IonicContact OE2-CZ 3.95Å; E782-R801 IonicContact OE2-NE 3.86Å; E782-R801 PolarHBondContact OE2-NE 3.44Å; E782-R801 IonicContact OE2-NH2 3.33Å; E782-R801 PolarHBondContact OE2-NH2 3.07Å |
| 783 | S | 89.5 | Confident | 88.5 | Confident | 4 Ų | 4 | 50.6 Ų | 50.6 | 3% | 0.028 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 13.9 | 171.9 | -59.2 | 0 | 0 | 0 | 0 | 113.7 | Y779 L780 H781 G785 D786 E789 A790 K793 | Y779-S783 VanDerWaalsContact O-CB 3.32Å; Y779-S783 WeakPolarHBondContact O-CB 2.9Å; Y779-S783 PolarHBondContact O-N 2.87Å; Y779-S783 PolarHBondContact O-OG 3.07Å; Y779-S783 VanDerWaalsContact O-OG 3.09Å; L780-S783 CarbonylContact O-C 3.58Å; H781-S783 PolarHBondContact O-N 2.73Å; S783-G785 PolarHBondContact O-N 2.98Å; S783-D786 WeakPolarHBondContact CB-O 3.11Å; S783-D786 WeakPolarHBondContact O-CB 3.47Å; S783-D786 PolarHBondContact O-N 2.83Å; S783-E789 VanDerWaalsContact CA-OE2 3.29Å; S783-E789 WeakPolarHBondContact CA-OE2 3.29Å; S783-E789 WeakPolarHBondContact CB-OE2 3.49Å; S783-E789 PolarHBondContact OG-OE2 3.29Å; S783-A790 WeakPolarHBondContact OG-CA 3.31Å; S783-A790 PolarHBondContact OG-N 2.6Å; S783-A790 VanDerWaalsContact OG-N 3.16Å; S783-K793 PolarHBondContact OG-NZ 3.47Å |
| 784 | R | 87.7 | Confident | 88.4 | Confident | 197 Ų | 197 | 46.7 Ų | 46.7 | 74% | 0.743 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 27.7 | 176.5 | -55.3 | -176.1 | 179.3 | -160.9 | -0.2 | 115.9 | W741 H743 L780 H781 | W741-R784 HydrophobicContact CH2-CB 3.68Å; W741-R784 HydrophobicContact CH2-CG 4.21Å; W741-R784 HydrophobicContact CZ2-CB 3.97Å; W741-R784 HydrophobicContact CZ3-CB 4.42Å; H743-R784 PolarHBondContact CE1-O 3.15Å; L780-R784 PolarHBondContact O-N 3.42Å; H781-R784 PolarHBondContact O-N 3.14Å |
| 785 | G | 86.7 | Confident | 88.2 | Confident | 3 Ų | 3 | 47.8 Ų | 47.8 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 96.9 | -4.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | L780 S783 I787 | L780-G785 WeakPolarHBondContact CD1-O 3.46Å; L780-G785 PolarHBondContact O-N 3.37Å; S783-G785 PolarHBondContact O-N 2.98Å; G785-I787 PolarHBondContact O-N 3.26Å |
| 786 | D | 89.7 | Confident | 87.9 | Confident | 78 Ų | 78 | 51.5 Ų | 51.5 | 42% | 0.417 | 26% | 0.256 | S | S | . | . | trans | -72.8 | 114.5 | 174.1 | -167.3 | -49.3 | 0 | 0 | 0 | 111.6 | S783 L788 E789 A790 | S783-D786 WeakPolarHBondContact CB-O 3.11Å; S783-D786 WeakPolarHBondContact O-CB 3.47Å; S783-D786 PolarHBondContact O-N 2.83Å; D786-L788 WeakPolarHBondContact OD1-CA 3.43Å; D786-L788 WeakPolarHBondContact OD1-CB 3.45Å; D786-L788 PolarHBondContact OD1-N 2.99Å; D786-E789 HydrophobicContact CB-CB 4Å; D786-E789 PolarHBondContact OD1-N 3.26Å; D786-A790 WeakPolarHBondContact O-CB 3.38Å; D786-A790 PolarHBondContact O-N 2.98Å | ||
| 787 | I | 90.3 | Very high | 86.7 | Confident | 27 Ų | 27 | 60.9 Ų | 60.9 | 14% | 0.138 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -70.5 | -34.7 | -178.1 | -56.3 | -179.6 | 0 | 0 | 0 | 111.4 | L744 Q753 V754 L757 L780 G785 L791 | L744-I787 HydrophobicContact CD2-CD1 4.05Å; L744-I787 HydrophobicContact CD2-CG1 4.22Å; Q753-I787 HydrophobicContact CB-CD1 3.6Å; V754-I787 HydrophobicContact CG2-CD1 3.82Å; V754-I787 HydrophobicContact CG2-CG1 4.19Å; L757-I787 HydrophobicContact CB-CG2 4.37Å; L757-I787 HydrophobicContact CD2-CG2 4.05Å; L780-I787 HydrophobicContact CD1-CG1 4.17Å; G785-I787 PolarHBondContact O-N 3.26Å; I787-L791 VanDerWaalsContact O-CB 3.26Å; I787-L791 WeakPolarHBondContact O-CB 3.48Å; I787-L791 PolarHBondContact O-N 3.02Å |
| 788 | L | 89.8 | Confident | 85.5 | Confident | 133 Ų | 133 | 65.8 Ų | 65.8 | 70% | 0.696 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -78.1 | -42.1 | -178.3 | -63.7 | 176.2 | 0 | 0 | 0 | 111.2 | D786 L791 S792 | D786-L788 WeakPolarHBondContact OD1-CA 3.43Å; D786-L788 WeakPolarHBondContact OD1-CB 3.45Å; D786-L788 PolarHBondContact OD1-N 2.99Å; L788-L791 PolarHBondContact O-N 3.29Å; L788-S792 WeakPolarHBondContact O-CB 3.39Å; L788-S792 PolarHBondContact O-N 3.32Å |
| 789 | E | 89.4 | Confident | 84.3 | Confident | 87 Ų | 87 | 68.4 Ų | 68.4 | 41% | 0.407 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.5 | -40.9 | 173.7 | -163.8 | -157.2 | 169.2 | 0 | 0 | 110.6 | S783 D786 S792 K793 | S783-E789 VanDerWaalsContact CA-OE2 3.29Å; S783-E789 WeakPolarHBondContact CA-OE2 3.29Å; S783-E789 WeakPolarHBondContact CB-OE2 3.49Å; S783-E789 PolarHBondContact OG-OE2 3.29Å; D786-E789 HydrophobicContact CB-CB 4Å; D786-E789 PolarHBondContact OD1-N 3.26Å; E789-S792 WeakPolarHBondContact O-CB 3.44Å; E789-S792 PolarHBondContact O-N 2.9Å; E789-K793 WeakPolarHBondContact O-CG 3.38Å; E789-K793 PolarHBondContact O-N 3.34Å; E789-K793 WeakPolarHBondContact OE1-CE 3.31Å; E789-K793 IonicContact OE1-NZ 2.6Å; E789-K793 PolarHBondContact OE1-NZ 3.29Å; E789-K793 IonicContact OE2-NZ 3.37Å |
| 790 | A | 89.6 | Confident | 83 | Confident | 1 Ų | 1 | 74 Ų | 74 | 1% | 0.008 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L757 L780 S783 D786 K793 L794 | L757-A790 HydrophobicContact CD2-CB 4.39Å; L780-A790 HydrophobicContact CB-CB 4.29Å; L780-A790 HydrophobicContact CD1-CB 4.23Å; S783-A790 WeakPolarHBondContact OG-CA 3.31Å; S783-A790 PolarHBondContact OG-N 2.6Å; S783-A790 VanDerWaalsContact OG-N 3.16Å; D786-A790 WeakPolarHBondContact O-CB 3.38Å; D786-A790 PolarHBondContact O-N 2.98Å; A790-K793 PolarHBondContact O-N 2.93Å; A790-L794 WeakPolarHBondContact O-CB 3.29Å; A790-L794 PolarHBondContact O-N 3.35Å |
| 791 | L | 88.1 | Confident | 82.2 | Confident | 64 Ų | 64 | 75.3 Ų | 75.3 | 34% | 0.335 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.8 | -41.1 | 174.4 | -176 | 151.1 | 0 | 0 | 0 | 111.6 | L757 I787 L788 L794 L795 | L757-L791 HydrophobicContact CD1-CB 4.05Å; L757-L791 HydrophobicContact CD1-CD1 4.2Å; L757-L791 HydrophobicContact CD1-CG 4.38Å; I787-L791 VanDerWaalsContact O-CB 3.26Å; I787-L791 WeakPolarHBondContact O-CB 3.48Å; I787-L791 PolarHBondContact O-N 3.02Å; L788-L791 PolarHBondContact O-N 3.29Å; L791-L794 PolarHBondContact O-N 2.9Å; L791-L795 HydrophobicContact CD2-CD1 3.66Å; L791-L795 HydrophobicContact CD2-CG 4.15Å; L791-L795 PolarHBondContact O-N 3.18Å |
| 792 | S | 87.6 | Confident | 81.3 | Confident | 69 Ų | 69 | 77.7 Ų | 77.7 | 48% | 0.483 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59 | -50.8 | 174.6 | -174.1 | 0 | 0 | 0 | 0 | 111.5 | L788 E789 L794 L795 L796 | L788-S792 WeakPolarHBondContact O-CB 3.39Å; L788-S792 PolarHBondContact O-N 3.32Å; E789-S792 WeakPolarHBondContact O-CB 3.44Å; E789-S792 PolarHBondContact O-N 2.9Å; S792-L794 PolarHBondContact O-N 3.36Å; S792-L795 PolarHBondContact O-N 3.47Å; S792-L795 VanDerWaalsContact O-N 3.15Å; S792-L796 PolarHBondContact O-N 2.99Å |
| 793 | K | 84.8 | Confident | 80.4 | Confident | 33 Ų | 33 | 83.5 Ų | 83.5 | 14% | 0.143 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -58.8 | -32.8 | 174.9 | -70.8 | 172.9 | -174.1 | 159.1 | 0 | 112.9 | Y779 E782 S783 E789 A790 | Y779-K793 HydrophobicContact CD1-CB 3.75Å; Y779-K793 HydrophobicContact CD1-CD 3.93Å; Y779-K793 HydrophobicContact CD1-CG 4.39Å; Y779-K793 HydrophobicContact CD2-CB 4.05Å; Y779-K793 HydrophobicContact CE1-CB 3.78Å; Y779-K793 HydrophobicContact CE1-CD 4.32Å; Y779-K793 HydrophobicContact CE1-CG 4.45Å; Y779-K793 HydrophobicContact CE2-CB 4.04Å; Y779-K793 VanDerWaalsContact CE2-O 3.28Å; Y779-K793 WeakPolarHBondContact CE2-O 3.44Å; Y779-K793 HydrophobicContact CG-CB 3.89Å; Y779-K793 PolarHBondContact OH-O 3.41Å; E782-K793 PolarHBondContact O-NZ 3.29Å; S783-K793 PolarHBondContact OG-NZ 3.47Å; E789-K793 WeakPolarHBondContact O-CG 3.38Å; E789-K793 PolarHBondContact O-N 3.34Å; E789-K793 WeakPolarHBondContact OE1-CE 3.31Å; E789-K793 IonicContact OE1-NZ 2.6Å; E789-K793 PolarHBondContact OE1-NZ 3.29Å; E789-K793 IonicContact OE2-NZ 3.37Å; A790-K793 PolarHBondContact O-N 2.93Å |
| 794 | L | 84.2 | Confident | 79.7 | Confident | 8 Ų | 8 | 91 Ų | 91 | 4% | 0.042 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -77.9 | -28.1 | 178.3 | -165.7 | 62.4 | 0 | 0 | 0 | 113.3 | A761 F766 L775 A776 Y779 A790 L791 S792 L796 | A761-L794 HydrophobicContact CB-CD2 3.97Å; F766-L794 HydrophobicContact CD1-CB 4.22Å; F766-L794 HydrophobicContact CD1-CD2 4.2Å; F766-L794 HydrophobicContact CD1-CG 3.64Å; F766-L794 WeakPolarHBondContact CD1-O 3.26Å; F766-L794 HydrophobicContact CD2-CD2 3.93Å; F766-L794 HydrophobicContact CD2-CG 4.19Å; F766-L794 HydrophobicContact CE1-CB 3.78Å; F766-L794 HydrophobicContact CE1-CD2 3.85Å; F766-L794 HydrophobicContact CE1-CG 3.55Å; F766-L794 HydrophobicContact CE2-CD2 3.58Å; F766-L794 HydrophobicContact CE2-CG 4.12Å; F766-L794 HydrophobicContact CG-CD2 4.23Å; F766-L794 HydrophobicContact CG-CG 3.95Å; F766-L794 HydrophobicContact CZ-CB 4.2Å; F766-L794 HydrophobicContact CZ-CD2 3.54Å; F766-L794 HydrophobicContact CZ-CG 3.81Å; L775-L794 HydrophobicContact CD2-CD1 3.7Å; L775-L794 HydrophobicContact CG-CD1 3.82Å; A776-L794 HydrophobicContact CB-CD2 4.03Å; Y779-L794 HydrophobicContact CD2-CB 4.12Å; Y779-L794 HydrophobicContact CD2-CD1 3.99Å; Y779-L794 HydrophobicContact CE2-CB 4.35Å; Y779-L794 HydrophobicContact CE2-CD1 4.1Å; A790-L794 WeakPolarHBondContact O-CB 3.29Å; A790-L794 PolarHBondContact O-N 3.35Å; L791-L794 PolarHBondContact O-N 2.9Å; S792-L794 PolarHBondContact O-N 3.36Å; L794-L796 VanDerWaalsContact C-N 3.31Å |
| 795 | L | 83.5 | Confident | 79.4 | Confident | 91 Ų | 91 | 84 Ų | 84 | 48% | 0.476 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -74.5 | -15.2 | 172.4 | -75 | 177.2 | 0 | 0 | 0 | 113.7 | F766 L791 S792 K797 | F766-L795 HydrophobicContact CD1-CD2 3.97Å; F766-L795 HydrophobicContact CE1-CB 4.48Å; F766-L795 HydrophobicContact CE1-CD2 3.51Å; F766-L795 HydrophobicContact CE1-CG 3.79Å; F766-L795 HydrophobicContact CZ-CD2 4.41Å; L791-L795 HydrophobicContact CD2-CD1 3.66Å; L791-L795 HydrophobicContact CD2-CG 4.15Å; L791-L795 PolarHBondContact O-N 3.18Å; S792-L795 PolarHBondContact O-N 3.47Å; S792-L795 VanDerWaalsContact O-N 3.15Å; L795-K797 PolarHBondContact O-N 3.39Å |
| 796 | L | 79.9 | Confident | 79.2 | Confident | 96 Ų | 96 | 86.8 Ų | 86.8 | 50% | 0.503 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -63.1 | 127.1 | 180 | -64.8 | 178.8 | 0 | 0 | 0 | 111.5 | S792 L794 K798 | S792-L796 PolarHBondContact O-N 2.99Å; L794-L796 VanDerWaalsContact C-N 3.31Å; L796-K798 PolarHBondContact O-N 3.1Å |
| 797 | K | 63.4 | Low | 78.8 | Confident | 200 Ų | 200 | 83.8 Ų | 83.8 | 87% | 0.87 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -57 | -16.7 | -178.4 | -68.6 | 179.2 | -176.2 | 177.2 | 0 | 114.6 | L795 | L795-K797 PolarHBondContact O-N 3.39Š|
| 798 | K | 63.4 | Low | 78.3 | Confident | 161 Ų | 161 | 84.6 Ų | 84.6 | 70% | 0.7 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -142.1 | 131.8 | 169.3 | -66.8 | -176.9 | -179.4 | 177.7 | 0 | 108.9 | L796 V800 | L796-K798 PolarHBondContact O-N 3.1Å; K798-V800 VanDerWaalsContact C-N 3.31Å; K798-V800 HydrophobicContact CB-CG2 3.85Å; K798-V800 PolarHBondContact O-N 3.02Å |
| 799 | P | 64.6 | Low | 77.9 | Confident | 79 Ų | 79 | 84.8 Ų | 84.8 | 51% | 0.513 | 45% | 0.454 | S | S | . | . | trans | -74.9 | 83.1 | 168.8 | 31.8 | -34.5 | 0 | 0 | 0 | 109.7 | Y779 R801 | Y779-P799 WeakPolarHBondContact OH-CA 3.25Å; Y779-P799 WeakPolarHBondContact OH-CB 3.2Å; P799-R801 VanDerWaalsContact C-N 3.29Å; P799-R801 PolarHBondContact O-N 2.97Å | ||
| 800 | V | 60.2 | Low | 77.6 | Confident | 126 Ų | 126 | 85.2 Ų | 85.2 | 76% | 0.764 | 45% | 0.452 | S | S | * | . | trans | -81 | 76.7 | -179.1 | -171.3 | 0 | 0 | 0 | 0 | 110 | K798 | K798-V800 VanDerWaalsContact C-N 3.31Å; K798-V800 HydrophobicContact CB-CG2 3.85Å; K798-V800 PolarHBondContact O-N 3.02Å | ||
| 801 | R | 73.8 | Confident | 77.3 | Confident | 28 Ų | 28 | 89.4 Ų | 89.4 | 11% | 0.106 | 47% | 0.471 | C | S | . | . | trans | -76.9 | 139.7 | 165.6 | -66.8 | -156 | 173.1 | 96.8 | -0.7 | 110.1 | Y779 E782 P799 H805 Y812 | Y779-R801 VanDerWaalsContact CE1-NH2 3.32Å; E782-R801 IonicContact OE1-NE 3.92Å; E782-R801 IonicContact OE2-CZ 3.95Å; E782-R801 IonicContact OE2-NE 3.86Å; E782-R801 PolarHBondContact OE2-NE 3.44Å; E782-R801 IonicContact OE2-NH2 3.33Å; E782-R801 PolarHBondContact OE2-NH2 3.07Å; P799-R801 VanDerWaalsContact C-N 3.29Å; P799-R801 PolarHBondContact O-N 2.97Å; R801-H805 HydrophobicContact CB-CB 4.3Å; R801-H805 WeakPolarHBondContact CD-ND1 3.43Å; R801-Y812 PolarHBondContact NH1-OH 3.29Å | ||
| 802 | P | 72.5 | Confident | 77.1 | Confident | 83 Ų | 83 | 87.5 Ų | 87.5 | 54% | 0.539 | 46% | 0.46 | S | S | . | . | trans | -66.3 | 153.1 | 174.3 | 28.6 | -33.6 | 0 | 0 | 0 | 110.2 | N804 H805 | P802-N804 PolarHBondContact O-N 2.98Å; P802-H805 HydrophobicContact CG-CB 4.22Å; P802-H805 VanDerWaalsContact O-CB 3.29Å; P802-H805 WeakPolarHBondContact O-CB 3.38Å; P802-H805 PolarHBondContact O-N 3.25Å | ||
| 803 | H | 70.1 | Confident | 76.7 | Confident | 185 Ų | 185 | 86.7 Ų | 86.7 | 86% | 0.856 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -20.8 | -175.6 | -73.2 | 61.7 | 0 | 0 | 0 | 113.3 | H805 | H803-H805 VanDerWaalsContact C-N 3.31Š|
| 804 | N | 75.1 | Confident | 76.3 | Confident | 161 Ų | 161 | 86.4 Ų | 86.4 | 86% | 0.861 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | 0.7 | 178.7 | -57.3 | 0.5 | 0 | 0 | 0 | 113.3 | P802 | P802-N804 PolarHBondContact O-N 2.98Š|
| 805 | H | 81.4 | Confident | 75.9 | Confident | 50 Ų | 50 | 88 Ų | 88 | 23% | 0.231 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -82.1 | 136.1 | -178.8 | -171.8 | -85.9 | 0 | 0 | 0 | 111.2 | R801 P802 H803 L807 A808 | R801-H805 HydrophobicContact CB-CB 4.3Å; R801-H805 WeakPolarHBondContact CD-ND1 3.43Å; P802-H805 HydrophobicContact CG-CB 4.22Å; P802-H805 VanDerWaalsContact O-CB 3.29Å; P802-H805 WeakPolarHBondContact O-CB 3.38Å; P802-H805 PolarHBondContact O-N 3.25Å; H803-H805 VanDerWaalsContact C-N 3.31Å; H805-L807 VanDerWaalsContact C-N 3.25Å; H805-L807 PolarHBondContact ND1-N 3.43Å; H805-L807 VanDerWaalsContact ND1-N 3.12Å; H805-L807 PolarHBondContact O-N 3.34Å; H805-L807 VanDerWaalsContact O-N 3.11Å; H805-A808 HydrophobicContact CB-CB 4.3Å; H805-A808 WeakPolarHBondContact O-CB 3.35Å; H805-A808 PolarHBondContact O-N 3.39Å |
| 806 | P | 81 | Confident | 75.7 | Confident | 63 Ų | 63 | 84.8 Ų | 84.8 | 41% | 0.409 | 45% | 0.454 | S | S | . | . | G | 310 helix | trans | -52.3 | -39.4 | -178.6 | -31.9 | 37.2 | 0 | 0 | 0 | 115 | D735 A808 | D735-P806 HydrophobicContact CB-CB 3.54Å; D735-P806 HydrophobicContact CB-CG 3.89Å; P806-A808 VanDerWaalsContact C-N 3.35Å |
| 807 | L | 83.1 | Confident | 75.7 | Confident | 15 Ų | 15 | 86.6 Ų | 86.6 | 8% | 0.079 | 46% | 0.46 | C | S | . | . | G | 310 helix | trans | -87.6 | 10.4 | 177.9 | -64 | 166 | 0 | 0 | 0 | 114.4 | V737 H778 H805 T809 Y810 | V737-L807 HydrophobicContact CB-CD1 4.37Å; V737-L807 HydrophobicContact CG1-CD1 4.18Å; V737-L807 HydrophobicContact CG1-CD2 3.82Å; V737-L807 HydrophobicContact CG1-CG 4.04Å; H778-L807 HydrophobicContact CB-CD1 3.84Å; H778-L807 VanDerWaalsContact ND1-CD1 3.34Å; H778-L807 WeakPolarHBondContact ND1-CD1 3.49Å; H805-L807 VanDerWaalsContact C-N 3.25Å; H805-L807 PolarHBondContact ND1-N 3.43Å; H805-L807 VanDerWaalsContact ND1-N 3.12Å; H805-L807 PolarHBondContact O-N 3.34Å; H805-L807 VanDerWaalsContact O-N 3.11Å; L807-T809 VanDerWaalsContact C-N 3.29Å; L807-T809 PolarHBondContact O-N 2.6Å; L807-Y810 HydrophobicContact CD2-CD2 3.8Å; L807-Y810 HydrophobicContact CD2-CG 3.77Å; L807-Y810 WeakPolarHBondContact O-CB 3.43Å; L807-Y810 PolarHBondContact O-N 3.3Å |
| 808 | A | 79.3 | Confident | 76.9 | Confident | 44 Ų | 44 | 78.5 Ų | 78.5 | 36% | 0.364 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -64.1 | -33.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | H805 P806 | H805-A808 HydrophobicContact CB-CB 4.3Å; H805-A808 WeakPolarHBondContact O-CB 3.35Å; H805-A808 PolarHBondContact O-N 3.39Å; P806-A808 VanDerWaalsContact C-N 3.35Å |
| 809 | T | 80.8 | Confident | 78.1 | Confident | 137 Ų | 137 | 77.3 Ų | 77.3 | 84% | 0.84 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -95.8 | 9.1 | 175.9 | 58.3 | 0 | 0 | 0 | 0 | 113.4 | L807 H811 | L807-T809 VanDerWaalsContact C-N 3.29Å; L807-T809 PolarHBondContact O-N 2.6Å; T809-H811 PolarHBondContact O-N 2.82Å |
| 810 | Y | 84.1 | Confident | 79.3 | Confident | 95 Ų | 95 | 77.5 Ų | 77.5 | 37% | 0.373 | 42% | 0.418 | S | S | . | . | trans | -79.3 | 116.3 | -176.3 | -173.5 | -90.3 | 0 | 0 | 0 | 111.5 | H778 L807 Y812 | H778-Y810 AromaticContact CE1-CE1 3.99Å; L807-Y810 HydrophobicContact CD2-CD2 3.8Å; L807-Y810 HydrophobicContact CD2-CG 3.77Å; L807-Y810 WeakPolarHBondContact O-CB 3.43Å; L807-Y810 PolarHBondContact O-N 3.3Å; Y810-Y812 AromaticContact CD1-CD1 3.77Å; Y810-Y812 HydrophobicContact CD1-CD1 3.77Å; Y810-Y812 AromaticContact CD1-CD2 3.89Å; Y810-Y812 HydrophobicContact CD1-CD2 3.89Å; Y810-Y812 AromaticContact CD1-CE1 3.75Å; Y810-Y812 HydrophobicContact CD1-CE1 3.75Å; Y810-Y812 AromaticContact CD1-CE2 3.88Å; Y810-Y812 HydrophobicContact CD1-CE2 3.88Å; Y810-Y812 AromaticContact CD1-CG 3.86Å; Y810-Y812 HydrophobicContact CD1-CG 3.86Å; Y810-Y812 AromaticContact CD1-CZ 3.84Å; Y810-Y812 AromaticContact CE1-CD1 3.59Å; Y810-Y812 HydrophobicContact CE1-CD1 3.59Å; Y810-Y812 HydrophobicContact CE1-CD2 4.5Å; Y810-Y812 AromaticContact CE1-CE1 3.76Å; Y810-Y812 HydrophobicContact CE1-CE1 3.76Å; Y810-Y812 HydrophobicContact CE1-CG 4.01Å; Y810-Y812 PolarHBondContact O-N 3.3Å | ||
| 811 | H | 83.1 | Confident | 80.8 | Confident | 89 Ų | 89 | 74.6 Ų | 74.6 | 41% | 0.412 | 41% | 0.407 | S | S | . | . | trans | -80.6 | 102.7 | 174.3 | 179.3 | 76.5 | 0 | 0 | 0 | 110.7 | T809 D816 E854 | T809-H811 PolarHBondContact O-N 2.82Å; H811-D816 IonicContact CE1-OD1 3.6Å; H811-E854 IonicContact CD2-OE2 2.69Å; H811-E854 IonicContact CE1-OE2 2.66Å; H811-E854 IonicContact NE2-OE2 2.67Å; H811-E854 PolarHBondContact NE2-OE2 3.35Å | ||
| 812 | Y | 82.6 | Confident | 81.8 | Confident | 24 Ų | 24 | 73.9 Ų | 73.9 | 9% | 0.094 | 41% | 0.405 | C | S | . | . | trans | -68.5 | 131.6 | 172.6 | -70.6 | -80.6 | 0 | 0 | 0 | 111.1 | E774 L775 H778 R801 Y810 S815 | E774-Y812 HydrophobicContact CB-CD1 3.96Å; E774-Y812 HydrophobicContact CB-CE1 4.2Å; L775-Y812 HydrophobicContact CB-CD1 3.87Å; L775-Y812 HydrophobicContact CB-CE1 3.74Å; L775-Y812 HydrophobicContact CB-CG 4.4Å; L775-Y812 HydrophobicContact CD1-CD2 4.38Å; L775-Y812 HydrophobicContact CD1-CE1 4.05Å; L775-Y812 HydrophobicContact CD1-CE2 3.75Å; H778-Y812 WeakPolarHBondContact CB-OH 3.5Å; H778-Y812 AromaticContact ND1-CE1 3.36Å; H778-Y812 WeakPolarHBondContact ND1-CE1 3.36Å; H778-Y812 AromaticContact ND1-CZ 3.48Å; H778-Y812 PolarHBondContact ND1-OH 3.42Å; R801-Y812 PolarHBondContact NH1-OH 3.29Å; Y810-Y812 AromaticContact CD1-CD1 3.77Å; Y810-Y812 HydrophobicContact CD1-CD1 3.77Å; Y810-Y812 AromaticContact CD1-CD2 3.89Å; Y810-Y812 HydrophobicContact CD1-CD2 3.89Å; Y810-Y812 AromaticContact CD1-CE1 3.75Å; Y810-Y812 HydrophobicContact CD1-CE1 3.75Å; Y810-Y812 AromaticContact CD1-CE2 3.88Å; Y810-Y812 HydrophobicContact CD1-CE2 3.88Å; Y810-Y812 AromaticContact CD1-CG 3.86Å; Y810-Y812 HydrophobicContact CD1-CG 3.86Å; Y810-Y812 AromaticContact CD1-CZ 3.84Å; Y810-Y812 AromaticContact CE1-CD1 3.59Å; Y810-Y812 HydrophobicContact CE1-CD1 3.59Å; Y810-Y812 HydrophobicContact CE1-CD2 4.5Å; Y810-Y812 AromaticContact CE1-CE1 3.76Å; Y810-Y812 HydrophobicContact CE1-CE1 3.76Å; Y810-Y812 HydrophobicContact CE1-CG 4.01Å; Y810-Y812 PolarHBondContact O-N 3.3Å; Y812-S815 VanDerWaalsContact O-CB 3.31Å; Y812-S815 WeakPolarHBondContact O-CB 3.26Å; Y812-S815 PolarHBondContact O-N 3.31Å; Y812-S815 PolarHBondContact O-OG 3.41Å | ||
| 813 | T | 79.9 | Confident | 82.6 | Confident | 52 Ų | 52 | 74.2 Ų | 74.2 | 32% | 0.319 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 141.3 | 179.7 | 60.6 | 0 | 0 | 0 | 0 | 111.2 | T771 E774 S815 E854 | T771-T813 VanDerWaalsContact CB-O 3.25Å; T771-T813 WeakPolarHBondContact CB-O 3.37Å; T771-T813 PolarHBondContact OG1-O 3.39Å; E774-T813 PolarHBondContact OE2-OG1 3.2Å; E774-T813 VanDerWaalsContact OE2-OG1 3.14Å; T813-S815 PolarHBondContact O-N 3.26Å; T813-E854 VanDerWaalsContact CA-OE1 3.29Å; T813-E854 WeakPolarHBondContact CA-OE1 3.48Å |
| 814 | G | 76 | Confident | 83.6 | Confident | 27 Ų | 27 | 72.4 Ų | 72.4 | 28% | 0.278 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65 | 1.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | T771 D816 E854 | T771-G814 VanDerWaalsContact OG1-CA 3.26Å; T771-G814 WeakPolarHBondContact OG1-CA 3.43Å; G814-D816 PolarHBondContact O-N 3.01Å; G814-D816 VanDerWaalsContact O-N 3.17Å; G814-E854 PolarHBondContact N-OE1 3.42Å |
| 815 | S | 75.3 | Confident | 84.5 | Confident | 43 Ų | 43 | 67.5 Ų | 67.5 | 30% | 0.301 | 36% | 0.359 | S | S | . | . | trans | -62.2 | -18.4 | 171.7 | 63.6 | 0 | 0 | 0 | 0 | 113.3 | Y812 T813 H817 | Y812-S815 VanDerWaalsContact O-CB 3.31Å; Y812-S815 WeakPolarHBondContact O-CB 3.26Å; Y812-S815 PolarHBondContact O-N 3.31Å; Y812-S815 PolarHBondContact O-OG 3.41Å; T813-S815 PolarHBondContact O-N 3.26Å; S815-H817 PolarHBondContact O-CE1 2.89Å; S815-H817 PolarHBondContact O-N 2.96Å; S815-H817 PolarHBondContact O-ND1 2.69Å | ||
| 816 | D | 79.8 | Confident | 85 | Confident | 22 Ų | 22 | 65.1 Ų | 65.1 | 12% | 0.118 | 35% | 0.348 | C | S | . | . | trans | -59 | 115.8 | 173.8 | -89.1 | -21.2 | 0 | 0 | 0 | 113.2 | H811 G814 W818 Q851 | H811-D816 IonicContact CE1-OD1 3.6Å; G814-D816 PolarHBondContact O-N 3.01Å; G814-D816 VanDerWaalsContact O-N 3.17Å; D816-W818 VanDerWaalsContact O-CD1 3.31Å; D816-W818 PolarHBondContact O-N 2.76Å; D816-Q851 PolarHBondContact OD1-NE2 3.48Å; D816-Q851 WeakPolarHBondContact OD2-CB 3.31Å; D816-Q851 WeakPolarHBondContact OD2-CG 3.41Å | ||
| 817 | H | 81.1 | Confident | 85.5 | Confident | 135 Ų | 135 | 64.2 Ų | 64.2 | 63% | 0.625 | 34% | 0.339 | S | S | * | . | trans | -77.9 | 116.5 | 172.2 | -67.3 | 48.8 | 0 | 0 | 0 | 109.9 | S815 K847 | S815-H817 PolarHBondContact O-CE1 2.89Å; S815-H817 PolarHBondContact O-N 2.96Å; S815-H817 PolarHBondContact O-ND1 2.69Å; H817-K847 WeakPolarHBondContact O-CE 3.3Å; H817-K847 PolarHBondContact O-NZ 2.95Å | ||
| 818 | W | 86.8 | Confident | 85.9 | Confident | 29 Ų | 29 | 68.5 Ų | 68.5 | 11% | 0.11 | 36% | 0.359 | C | S | . | . | trans | -108.7 | 107.3 | -177.4 | -83.1 | 86.4 | 0 | 0 | 0 | 112.3 | D816 E822 R823 F826 I844 K847 Q851 F855 | D816-W818 VanDerWaalsContact O-CD1 3.31Å; D816-W818 PolarHBondContact O-N 2.76Å; W818-E822 HydrophobicContact CE3-CB 4.03Å; W818-E822 HydrophobicContact CZ3-CB 4.32Å; W818-R823 HydrophobicContact CB-CG 4.09Å; W818-R823 HydrophobicContact CE3-CG 4.27Å; W818-R823 PolarHBondContact O-NE 3.18Å; W818-R823 PolarHBondContact O-NH2 3.11Å; W818-F826 HydrophobicContact CH2-CD2 4.2Å; W818-F826 HydrophobicContact CZ3-CB 4.14Å; W818-F826 HydrophobicContact CZ3-CD2 4.36Å; W818-F826 HydrophobicContact CZ3-CG 4.44Å; W818-I844 HydrophobicContact CH2-CD1 4.27Å; W818-I844 HydrophobicContact CZ3-CD1 4.22Å; W818-K847 HydrophobicContact CH2-CB 4.34Å; W818-K847 HydrophobicContact CH2-CG 3.83Å; W818-K847 HydrophobicContact CZ2-CD 4.16Å; W818-K847 HydrophobicContact CZ2-CG 3.95Å; W818-K847 HydrophobicContact CZ3-CG 4.21Å; W818-Q851 HydrophobicContact CZ2-CB 4.5Å; W818-F855 HydrophobicContact CB-CE2 4.36Å; W818-F855 AromaticContact CD1-CD2 3.75Å; W818-F855 HydrophobicContact CD2-CB 4.37Å; W818-F855 HydrophobicContact CD2-CD1 4.41Å; W818-F855 AromaticContact CD2-CD2 3.69Å; W818-F855 HydrophobicContact CD2-CD2 3.69Å; W818-F855 HydrophobicContact CD2-CE2 4.09Å; W818-F855 AromaticContact CD2-CG 3.89Å; W818-F855 HydrophobicContact CD2-CG 3.89Å; W818-F855 AromaticContact CE2-CD2 3.67Å; W818-F855 AromaticContact CE2-CG 3.61Å; W818-F855 HydrophobicContact CE3-CD1 4.29Å; W818-F855 HydrophobicContact CE3-CD2 4.3Å; W818-F855 HydrophobicContact CE3-CE1 4.48Å; W818-F855 HydrophobicContact CE3-CE2 4.48Å; W818-F855 HydrophobicContact CE3-CG 4.22Å; W818-F855 AromaticContact CG-CD2 3.79Å; W818-F855 HydrophobicContact CG-CD2 3.79Å; W818-F855 HydrophobicContact CG-CE2 4Å; W818-F855 HydrophobicContact CG-CG 4.47Å; W818-F855 HydrophobicContact CH2-CB 3.98Å; W818-F855 HydrophobicContact CH2-CD1 4.17Å; W818-F855 HydrophobicContact CH2-CG 4.07Å; W818-F855 HydrophobicContact CZ2-CB 3.37Å; W818-F855 HydrophobicContact CZ2-CD1 4.31Å; W818-F855 HydrophobicContact CZ2-CD2 4.29Å; W818-F855 AromaticContact CZ2-CG 3.74Å; W818-F855 HydrophobicContact CZ2-CG 3.74Å; W818-F855 HydrophobicContact CZ3-CD1 4.16Å; W818-F855 HydrophobicContact CZ3-CG 4.3Å; W818-F855 AromaticContact NE1-CD2 3.7Å | ||
| 819 | K | 90.4 | Very high | 86.5 | Confident | 137 Ų | 137 | 66.4 Ų | 66.4 | 60% | 0.596 | 34% | 0.342 | S | S | * | . | trans | -66.3 | 151 | 178.5 | -58.6 | 173.2 | -171 | 160.4 | 0 | 110.9 | A821 E822 R823 | K819-A821 PolarHBondContact O-N 2.9Å; K819-E822 HydrophobicContact CB-CB 4.33Å; K819-E822 HydrophobicContact CB-CG 3.97Å; K819-E822 WeakPolarHBondContact CB-OE2 3.44Å; K819-E822 HydrophobicContact CD-CG 4.44Å; K819-E822 WeakPolarHBondContact CD-OE1 3.36Å; K819-E822 HydrophobicContact CG-CG 4.5Å; K819-E822 WeakPolarHBondContact CG-OE2 3.4Å; K819-E822 PolarHBondContact N-OE2 3.45Å; K819-E822 IonicContact NZ-OE1 3.51Å; K819-E822 PolarHBondContact O-N 3.38Å; K819-E822 VanDerWaalsContact O-N 3.08Å; K819-R823 PolarHBondContact O-N 3.21Å | ||
| 820 | T | 89.1 | Confident | 87.1 | Confident | 83 Ų | 83 | 60.5 Ų | 60.5 | 51% | 0.509 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.7 | -29.6 | 178.9 | -48.8 | 0 | 0 | 0 | 0 | 112.5 | K824 | T820-K824 WeakPolarHBondContact O-CG 3.33Å; T820-K824 PolarHBondContact O-N 3.39Å; T820-K824 VanDerWaalsContact O-N 3.13Å |
| 821 | A | 92.3 | Very high | 87.4 | Confident | 64 Ų | 64 | 59.5 Ų | 59.5 | 53% | 0.529 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -68.1 | -46.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | K819 R823 K824 L825 | K819-A821 PolarHBondContact O-N 2.9Å; A821-R823 VanDerWaalsContact C-N 3.31Å; A821-R823 PolarHBondContact O-N 2.8Å; A821-K824 WeakPolarHBondContact O-CB 3.34Å; A821-K824 PolarHBondContact O-N 3.5Å; A821-K824 VanDerWaalsContact O-N 3.13Å; A821-L825 WeakPolarHBondContact O-CG 3.28Å; A821-L825 PolarHBondContact O-N 3.41Å |
| 822 | E | 93.3 | Very high | 87.9 | Confident | 13 Ų | 13 | 59.8 Ų | 59.8 | 6% | 0.061 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.3 | -39.5 | 177.3 | -64.4 | 165.7 | 166.7 | 0 | 0 | 111.3 | W818 K819 L825 F826 I844 T846 | W818-E822 HydrophobicContact CE3-CB 4.03Å; W818-E822 HydrophobicContact CZ3-CB 4.32Å; K819-E822 HydrophobicContact CB-CB 4.33Å; K819-E822 HydrophobicContact CB-CG 3.97Å; K819-E822 WeakPolarHBondContact CB-OE2 3.44Å; K819-E822 HydrophobicContact CD-CG 4.44Å; K819-E822 WeakPolarHBondContact CD-OE1 3.36Å; K819-E822 HydrophobicContact CG-CG 4.5Å; K819-E822 WeakPolarHBondContact CG-OE2 3.4Å; K819-E822 PolarHBondContact N-OE2 3.45Å; K819-E822 IonicContact NZ-OE1 3.51Å; K819-E822 PolarHBondContact O-N 3.38Å; K819-E822 VanDerWaalsContact O-N 3.08Å; E822-L825 PolarHBondContact O-N 3.12Å; E822-F826 WeakPolarHBondContact O-CB 3.22Å; E822-F826 PolarHBondContact O-N 3.08Å; E822-I844 HydrophobicContact CB-CG2 4.26Å; E822-I844 HydrophobicContact CG-CG2 4.29Å; E822-T846 VanDerWaalsContact CD-OG1 3.28Å; E822-T846 WeakPolarHBondContact OE1-CB 3.42Å; E822-T846 PolarHBondContact OE1-OG1 2.88Å |
| 823 | R | 90.6 | Very high | 88.4 | Confident | 91 Ų | 91 | 63.1 Ų | 63.1 | 34% | 0.343 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 172.6 | -71.3 | -176.8 | -101.6 | 154.8 | -8.1 | 112.4 | W818 K819 A821 F826 N827 F855 | W818-R823 HydrophobicContact CB-CG 4.09Å; W818-R823 HydrophobicContact CE3-CG 4.27Å; W818-R823 PolarHBondContact O-NE 3.18Å; W818-R823 PolarHBondContact O-NH2 3.11Å; K819-R823 PolarHBondContact O-N 3.21Å; A821-R823 VanDerWaalsContact C-N 3.31Å; A821-R823 PolarHBondContact O-N 2.8Å; R823-F826 PolarHBondContact O-N 3.32Å; R823-N827 PolarHBondContact O-N 3.41Å; R823-N827 PolarHBondContact O-OD1 2.99Å; R823-N827 VanDerWaalsContact O-OD1 3.06Å; R823-F855 HydrophobicContact CG-CE1 4.44Å; R823-F855 HydrophobicContact CG-CE2 4.32Å; R823-F855 HydrophobicContact CG-CZ 3.78Å |
| 824 | K | 90.6 | Very high | 88.8 | Confident | 146 Ų | 146 | 68 Ų | 68 | 64% | 0.635 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -62.7 | -45.3 | 174.7 | -74.5 | 170.3 | 179.8 | 178.3 | 0 | 111.8 | T820 A821 N827 Q828 | T820-K824 WeakPolarHBondContact O-CG 3.33Å; T820-K824 PolarHBondContact O-N 3.39Å; T820-K824 VanDerWaalsContact O-N 3.13Å; A821-K824 WeakPolarHBondContact O-CB 3.34Å; A821-K824 PolarHBondContact O-N 3.5Å; A821-K824 VanDerWaalsContact O-N 3.13Å; K824-N827 PolarHBondContact O-N 2.95Å; K824-Q828 PolarHBondContact O-N 3.31Å |
| 825 | L | 93 | Very high | 89.6 | Confident | 59 Ų | 59 | 72.9 Ų | 72.9 | 31% | 0.309 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.2 | -40 | 176.2 | -69.8 | 172.8 | 0 | 0 | 0 | 112.2 | A821 E822 N827 Q828 G829 L843 I844 | A821-L825 WeakPolarHBondContact O-CG 3.28Å; A821-L825 PolarHBondContact O-N 3.41Å; E822-L825 PolarHBondContact O-N 3.12Å; L825-N827 PolarHBondContact O-N 2.92Å; L825-Q828 PolarHBondContact O-N 3.45Å; L825-G829 PolarHBondContact O-N 3.09Å; L825-L843 HydrophobicContact CB-CG 4.48Å; L825-L843 HydrophobicContact CD2-CD1 4.33Å; L825-L843 HydrophobicContact CD2-CG 4.33Å; L825-L843 WeakPolarHBondContact O-CD2 3.44Å; L825-I844 HydrophobicContact CB-CG1 4.11Å |
| 826 | F | 92.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.6 | -45.6 | 172.7 | 179 | -91.4 | 0 | 0 | 0 | 111.6 | W818 E822 R823 Q828 G829 I830 V840 I844 C852 F855 Y856 F873 | W818-F826 HydrophobicContact CH2-CD2 4.2Å; W818-F826 HydrophobicContact CZ3-CB 4.14Å; W818-F826 HydrophobicContact CZ3-CD2 4.36Å; W818-F826 HydrophobicContact CZ3-CG 4.44Å; E822-F826 WeakPolarHBondContact O-CB 3.22Å; E822-F826 PolarHBondContact O-N 3.08Å; R823-F826 PolarHBondContact O-N 3.32Å; F826-Q828 PolarHBondContact O-N 2.97Å; F826-G829 PolarHBondContact O-N 2.8Å; F826-I830 HydrophobicContact CD1-CG1 4.04Å; F826-I830 HydrophobicContact CD2-CG1 4.35Å; F826-I830 HydrophobicContact CE1-CD1 4.42Å; F826-I830 HydrophobicContact CE1-CG1 3.64Å; F826-I830 HydrophobicContact CE2-CD1 4.16Å; F826-I830 HydrophobicContact CE2-CG1 3.97Å; F826-I830 HydrophobicContact CG-CG1 4.38Å; F826-I830 HydrophobicContact CZ-CD1 3.91Å; F826-I830 HydrophobicContact CZ-CG1 3.6Å; F826-I830 WeakPolarHBondContact O-CB 3.25Å; F826-I830 VanDerWaalsContact O-CG1 3.31Å; F826-I830 WeakPolarHBondContact O-CG1 3.43Å; F826-I830 PolarHBondContact O-N 3.23Å; F826-V840 HydrophobicContact CD2-CG1 3.74Å; F826-V840 HydrophobicContact CE2-CG1 4.1Å; F826-I844 HydrophobicContact CB-CD1 3.78Å; F826-I844 HydrophobicContact CD2-CD1 3.84Å; F826-I844 HydrophobicContact CG-CD1 4.31Å; F826-C852 HydrophobicContact CE2-CB 4.45Å; F826-C852 WeakPolarHBondContact CE2-O 3.49Å; F826-F855 AromaticContact CD1-CD1 3.63Å; F826-F855 HydrophobicContact CD1-CD1 3.63Å; F826-F855 AromaticContact CD1-CE1 3.53Å; F826-F855 HydrophobicContact CD1-CE1 3.53Å; F826-F855 HydrophobicContact CD2-CD1 4.03Å; F826-F855 AromaticContact CE1-CD1 3.58Å; F826-F855 HydrophobicContact CE1-CD1 3.58Å; F826-F855 AromaticContact CE1-CE1 3.76Å; F826-F855 HydrophobicContact CE1-CE1 3.76Å; F826-F855 AromaticContact CE2-CD1 3.99Å; F826-F855 HydrophobicContact CE2-CD1 3.99Å; F826-F855 AromaticContact CG-CD1 3.86Å; F826-F855 HydrophobicContact CG-CD1 3.86Å; F826-F855 HydrophobicContact CG-CE1 4.01Å; F826-F855 AromaticContact CZ-CD1 3.76Å; F826-F855 HydrophobicContact CZ-CD1 3.76Å; F826-F855 HydrophobicContact CZ-CE1 4.41Å; F826-Y856 HydrophobicContact CZ-CD2 4.34Å; F826-F873 HydrophobicContact CE1-CD1 4.48Å |
| 827 | N | 90.5 | Very high | 91.2 | Very high | 44 Ų | 44 | 74.6 Ų | 74.6 | 24% | 0.235 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.5 | -42.5 | 179.6 | -65.5 | 0.1 | 0 | 0 | 0 | 111.7 | R823 K824 L825 A831 F873 | R823-N827 PolarHBondContact O-N 3.41Å; R823-N827 PolarHBondContact O-OD1 2.99Å; R823-N827 VanDerWaalsContact O-OD1 3.06Å; K824-N827 PolarHBondContact O-N 2.95Å; L825-N827 PolarHBondContact O-N 2.92Å; N827-A831 WeakPolarHBondContact O-CB 3.31Å; N827-A831 PolarHBondContact O-N 2.85Å; N827-F873 PolarHBondContact ND2-O 3.22Å; N827-F873 WeakPolarHBondContact OD1-CB 3.5Å; N827-F873 PolarHBondContact OD1-O 2.98Å; N827-F873 VanDerWaalsContact OD1-O 3.04Å |
| 828 | Q | 91.7 | Very high | 91.8 | Very high | 104 Ų | 104 | 75.2 Ų | 75.2 | 49% | 0.486 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.3 | -44.7 | 173.5 | -176.1 | 176.6 | 2.4 | 0 | 0 | 111.7 | K824 L825 F826 A831 I832 L843 | K824-Q828 PolarHBondContact O-N 3.31Å; L825-Q828 PolarHBondContact O-N 3.45Å; F826-Q828 PolarHBondContact O-N 2.97Å; Q828-A831 PolarHBondContact O-N 3.43Å; Q828-I832 HydrophobicContact CG-CD1 3.84Å; Q828-I832 VanDerWaalsContact O-CG1 3.32Å; Q828-I832 WeakPolarHBondContact O-CG1 3.39Å; Q828-I832 PolarHBondContact O-N 3.4Å; Q828-L843 HydrophobicContact CB-CD2 4.47Å; Q828-L843 HydrophobicContact CG-CD2 4.47Å |
| 829 | G | 93.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L825 F826 Y833 | L825-G829 PolarHBondContact O-N 3.09Å; F826-G829 PolarHBondContact O-N 2.8Å; G829-Y833 WeakPolarHBondContact O-CA 3.32Å; G829-Y833 WeakPolarHBondContact O-CB 3.32Å; G829-Y833 WeakPolarHBondContact O-CD2 3.34Å; G829-Y833 PolarHBondContact O-N 2.96Å |
| 830 | I | 93 | Very high | 92.4 | Very high | 13 Ų | 13 | 70.7 Ų | 70.7 | 7% | 0.067 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -70.7 | -32.4 | 175.7 | -66.9 | -69.5 | 0 | 0 | 0 | 111.3 | F826 K834 F837 V840 Y856 F873 | F826-I830 HydrophobicContact CD1-CG1 4.04Å; F826-I830 HydrophobicContact CD2-CG1 4.35Å; F826-I830 HydrophobicContact CE1-CD1 4.42Å; F826-I830 HydrophobicContact CE1-CG1 3.64Å; F826-I830 HydrophobicContact CE2-CD1 4.16Å; F826-I830 HydrophobicContact CE2-CG1 3.97Å; F826-I830 HydrophobicContact CG-CG1 4.38Å; F826-I830 HydrophobicContact CZ-CD1 3.91Å; F826-I830 HydrophobicContact CZ-CG1 3.6Å; F826-I830 WeakPolarHBondContact O-CB 3.25Å; F826-I830 VanDerWaalsContact O-CG1 3.31Å; F826-I830 WeakPolarHBondContact O-CG1 3.43Å; F826-I830 PolarHBondContact O-N 3.23Å; I830-K834 WeakPolarHBondContact CD1-O 3.43Å; I830-K834 WeakPolarHBondContact O-CA 3.48Å; I830-K834 PolarHBondContact O-N 3.35Å; I830-F837 HydrophobicContact CD1-CE1 4.01Å; I830-V840 HydrophobicContact CD1-CG2 3.97Å; I830-V840 HydrophobicContact CG1-CG2 4.37Å; I830-Y856 HydrophobicContact CD1-CD2 4.23Å; I830-F873 HydrophobicContact CG2-CD2 4.22Å; I830-F873 HydrophobicContact CG2-CE2 3.55Å; I830-F873 HydrophobicContact CG2-CZ 3.82Å |
| 831 | A | 90.3 | Very high | 92.7 | Very high | 75 Ų | 75 | 69.3 Ų | 69.3 | 62% | 0.62 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -66.3 | -44.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | N827 Q828 | N827-A831 WeakPolarHBondContact O-CB 3.31Å; N827-A831 PolarHBondContact O-N 2.85Å; Q828-A831 PolarHBondContact O-N 3.43Å |
| 832 | I | 93.4 | Very high | 92.9 | Very high | 94 Ų | 94 | 73.3 Ų | 73.3 | 48% | 0.482 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -79.6 | -55.5 | -177.5 | -59.7 | 167.1 | 0 | 0 | 0 | 111.2 | Q828 | Q828-I832 HydrophobicContact CG-CD1 3.84Å; Q828-I832 VanDerWaalsContact O-CG1 3.32Å; Q828-I832 WeakPolarHBondContact O-CG1 3.39Å; Q828-I832 PolarHBondContact O-N 3.4Å |
| 833 | Y | 92.6 | Very high | 92.9 | Very high | 94 Ų | 94 | 75 Ų | 75 | 37% | 0.369 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -98.1 | 0.3 | -170.3 | -48.1 | -64.1 | 0 | 0 | 0 | 114.2 | G829 K835 D836 L839 L843 | G829-Y833 WeakPolarHBondContact O-CA 3.32Å; G829-Y833 WeakPolarHBondContact O-CB 3.32Å; G829-Y833 WeakPolarHBondContact O-CD2 3.34Å; G829-Y833 PolarHBondContact O-N 2.96Å; Y833-K835 VanDerWaalsContact C-N 3.34Å; Y833-K835 PolarHBondContact O-N 2.89Å; Y833-D836 PolarHBondContact O-N 2.86Å; Y833-L839 HydrophobicContact CD1-CB 3.99Å; Y833-L839 HydrophobicContact CD1-CD1 3.62Å; Y833-L839 HydrophobicContact CD1-CG 4.43Å; Y833-L839 HydrophobicContact CD2-CB 3.86Å; Y833-L839 HydrophobicContact CE1-CB 4.44Å; Y833-L839 HydrophobicContact CE1-CD1 4.12Å; Y833-L839 HydrophobicContact CE2-CB 4.33Å; Y833-L839 HydrophobicContact CG-CB 3.68Å; Y833-L839 HydrophobicContact CG-CD1 4.11Å; Y833-L843 HydrophobicContact CE2-CD2 4.48Å |
| 834 | K | 89.5 | Confident | 93 | Very high | 155 Ų | 155 | 71.1 Ų | 71.1 | 67% | 0.674 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | -73.4 | 172.1 | -63 | 172.2 | -177.2 | 168.2 | 0 | 115.7 | I830 | I830-K834 WeakPolarHBondContact CD1-O 3.43Å; I830-K834 WeakPolarHBondContact O-CA 3.48Å; I830-K834 PolarHBondContact O-N 3.35Å |
| 835 | K | 91.3 | Very high | 93.1 | Very high | 130 Ų | 130 | 71.1 Ų | 71.1 | 57% | 0.565 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -144.2 | 13.5 | 179.9 | -64.9 | -174.1 | -176.3 | 172.5 | 0 | 112.5 | Y833 F837 Y856 | Y833-K835 VanDerWaalsContact C-N 3.34Å; Y833-K835 PolarHBondContact O-N 2.89Å; K835-F837 VanDerWaalsContact C-N 3.25Å; K835-F837 HydrophobicContact CB-CE2 4.14Å; K835-F837 HydrophobicContact CB-CZ 4.42Å; K835-F837 WeakPolarHBondContact O-CD2 3Å; K835-F837 WeakPolarHBondContact O-CE2 3.46Å; K835-F837 PolarHBondContact O-N 3.15Å; K835-Y856 WeakPolarHBondContact CE-OH 3.29Å |
| 836 | D | 94.4 | Very high | 93.1 | Very high | 68 Ų | 68 | 72.3 Ų | 72.3 | 36% | 0.364 | 35% | 0.354 | S | S | . | . | trans | -75.6 | 87 | 167.4 | -165.4 | -40.1 | 0 | 0 | 0 | 108.6 | Y833 F838 L839 V840 | Y833-D836 PolarHBondContact O-N 2.86Å; D836-F838 PolarHBondContact O-N 3.16Å; D836-F838 WeakPolarHBondContact OD1-CB 3.35Å; D836-F838 PolarHBondContact OD1-N 3.3Å; D836-F838 VanDerWaalsContact OD1-N 3.09Å; D836-L839 HydrophobicContact CB-CB 4.21Å; D836-L839 HydrophobicContact CB-CD1 4.12Å; D836-L839 HydrophobicContact CB-CG 4.26Å; D836-L839 PolarHBondContact O-N 3.22Å; D836-L839 PolarHBondContact OD1-N 2.67Å; D836-V840 WeakPolarHBondContact O-CG2 3.35Å; D836-V840 PolarHBondContact O-N 3.15Å | ||
| 837 | F | 94.3 | Very high | 93.1 | Very high | 32 Ų | 32 | 73.2 Ų | 73.2 | 14% | 0.14 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.1 | -14.9 | -178.2 | -63 | -73 | 0 | 0 | 0 | 113 | I830 K835 Q841 V849 V853 Y856 | I830-F837 HydrophobicContact CD1-CE1 4.01Å; K835-F837 VanDerWaalsContact C-N 3.25Å; K835-F837 HydrophobicContact CB-CE2 4.14Å; K835-F837 HydrophobicContact CB-CZ 4.42Å; K835-F837 WeakPolarHBondContact O-CD2 3Å; K835-F837 WeakPolarHBondContact O-CE2 3.46Å; K835-F837 PolarHBondContact O-N 3.15Å; F837-Q841 WeakPolarHBondContact O-CB 3.44Å; F837-Q841 PolarHBondContact O-N 3.36Å; F837-V849 HydrophobicContact CB-CG1 3.88Å; F837-V853 HydrophobicContact CB-CG2 3.97Å; F837-V853 HydrophobicContact CD1-CG2 3.85Å; F837-V853 HydrophobicContact CD2-CG2 3.61Å; F837-V853 HydrophobicContact CE1-CG2 4.23Å; F837-V853 HydrophobicContact CE2-CG2 4.01Å; F837-V853 HydrophobicContact CG-CG2 3.52Å; F837-V853 HydrophobicContact CZ-CG2 4.3Å; F837-Y856 HydrophobicContact CE1-CD1 4.37Å; F837-Y856 HydrophobicContact CE1-CD2 4.23Å; F837-Y856 AromaticContact CE1-CG 3.85Å; F837-Y856 HydrophobicContact CE1-CG 3.85Å; F837-Y856 AromaticContact CZ-CD1 3.81Å; F837-Y856 HydrophobicContact CZ-CD1 3.81Å; F837-Y856 HydrophobicContact CZ-CD2 4.22Å; F837-Y856 HydrophobicContact CZ-CE1 4.33Å; F837-Y856 AromaticContact CZ-CG 3.74Å; F837-Y856 HydrophobicContact CZ-CG 3.74Å |
| 838 | F | 95.4 | Very high | 93.2 | Very high | 148 Ų | 148 | 74.8 Ų | 74.8 | 65% | 0.649 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -76.7 | -42 | 172.3 | -58.3 | -82.4 | 0 | 0 | 0 | 111 | D836 Q841 K842 V849 | D836-F838 PolarHBondContact O-N 3.16Å; D836-F838 WeakPolarHBondContact OD1-CB 3.35Å; D836-F838 PolarHBondContact OD1-N 3.3Å; D836-F838 VanDerWaalsContact OD1-N 3.09Å; F838-Q841 PolarHBondContact O-N 3Å; F838-K842 WeakPolarHBondContact O-CB 3.31Å; F838-K842 PolarHBondContact O-N 3.44Å; F838-V849 HydrophobicContact CD1-CG2 3.85Å; F838-V849 HydrophobicContact CE1-CG1 4.33Å; F838-V849 HydrophobicContact CE1-CG2 4.1Å |
| 839 | L | 94.9 | Very high | 93.4 | Very high | 72 Ų | 72 | 71.8 Ų | 71.8 | 38% | 0.377 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -70.3 | -36.8 | 173.7 | -64.6 | 177.6 | 0 | 0 | 0 | 112.4 | Y833 D836 K842 L843 | Y833-L839 HydrophobicContact CD1-CB 3.99Å; Y833-L839 HydrophobicContact CD1-CD1 3.62Å; Y833-L839 HydrophobicContact CD1-CG 4.43Å; Y833-L839 HydrophobicContact CD2-CB 3.86Å; Y833-L839 HydrophobicContact CE1-CB 4.44Å; Y833-L839 HydrophobicContact CE1-CD1 4.12Å; Y833-L839 HydrophobicContact CE2-CB 4.33Å; Y833-L839 HydrophobicContact CG-CB 3.68Å; Y833-L839 HydrophobicContact CG-CD1 4.11Å; D836-L839 HydrophobicContact CB-CB 4.21Å; D836-L839 HydrophobicContact CB-CD1 4.12Å; D836-L839 HydrophobicContact CB-CG 4.26Å; D836-L839 PolarHBondContact O-N 3.22Å; D836-L839 PolarHBondContact OD1-N 2.67Å; L839-K842 PolarHBondContact O-N 3.43Å; L839-L843 PolarHBondContact O-N 3.21Å; L839-L843 VanDerWaalsContact O-N 3.15Å |
| 840 | V | 94.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.3 | -44 | 171.6 | 175.8 | 0 | 0 | 0 | 0 | 110.9 | F826 I830 D836 L843 I844 | F826-V840 HydrophobicContact CD2-CG1 3.74Å; F826-V840 HydrophobicContact CE2-CG1 4.1Å; I830-V840 HydrophobicContact CD1-CG2 3.97Å; I830-V840 HydrophobicContact CG1-CG2 4.37Å; D836-V840 WeakPolarHBondContact O-CG2 3.35Å; D836-V840 PolarHBondContact O-N 3.15Å; V840-L843 PolarHBondContact O-N 2.95Å; V840-I844 HydrophobicContact CG1-CD1 3.75Å; V840-I844 WeakPolarHBondContact O-CG1 3.39Å; V840-I844 PolarHBondContact O-N 2.83Å |
| 841 | Q | 95.8 | Very high | 93.3 | Very high | 54 Ų | 54 | 76.5 Ų | 76.5 | 25% | 0.252 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.9 | -43.2 | 176.1 | -172.6 | -79.3 | -29.8 | 0 | 0 | 111.5 | F837 F838 L843 I844 Q845 K847 V849 | F837-Q841 WeakPolarHBondContact O-CB 3.44Å; F837-Q841 PolarHBondContact O-N 3.36Å; F838-Q841 PolarHBondContact O-N 3Å; Q841-L843 PolarHBondContact O-N 3.43Å; Q841-I844 PolarHBondContact O-N 2.71Å; Q841-I844 VanDerWaalsContact O-N 3.11Å; Q841-Q845 PolarHBondContact O-N 2.9Å; Q841-K847 WeakPolarHBondContact CG-O 3.19Å; Q841-K847 PolarHBondContact NE2-O 3.14Å; Q841-V849 HydrophobicContact CB-CG2 3.88Å; Q841-V849 HydrophobicContact CG-CG2 3.89Å |
| 842 | K | 95.3 | Very high | 93.4 | Very high | 147 Ų | 147 | 72.9 Ų | 72.9 | 64% | 0.639 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -63 | -23.2 | 176.8 | -170.9 | 171.8 | -178.6 | 178.3 | 0 | 113.7 | F838 L839 Q845 | F838-K842 WeakPolarHBondContact O-CB 3.31Å; F838-K842 PolarHBondContact O-N 3.44Å; L839-K842 PolarHBondContact O-N 3.43Å; K842-Q845 VanDerWaalsContact O-CG 3.23Å; K842-Q845 WeakPolarHBondContact O-CG 3.41Å; K842-Q845 PolarHBondContact O-NE2 3.26Å |
| 843 | L | 93.9 | Very high | 93.3 | Very high | 50 Ų | 50 | 70.6 Ų | 70.6 | 26% | 0.262 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -81.6 | -32.2 | 174 | -177.4 | 63.3 | 0 | 0 | 0 | 113.1 | L825 Q828 Y833 L839 V840 Q841 | L825-L843 HydrophobicContact CB-CG 4.48Å; L825-L843 HydrophobicContact CD2-CD1 4.33Å; L825-L843 HydrophobicContact CD2-CG 4.33Å; L825-L843 WeakPolarHBondContact O-CD2 3.44Å; Q828-L843 HydrophobicContact CB-CD2 4.47Å; Q828-L843 HydrophobicContact CG-CD2 4.47Å; Y833-L843 HydrophobicContact CE2-CD2 4.48Å; L839-L843 PolarHBondContact O-N 3.21Å; L839-L843 VanDerWaalsContact O-N 3.15Å; V840-L843 PolarHBondContact O-N 2.95Å; Q841-L843 PolarHBondContact O-N 3.43Å |
| 844 | I | 93 | Very high | 93.2 | Very high | 8 Ų | 8 | 67.8 Ų | 67.8 | 4% | 0.041 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -89.8 | -39.1 | -177.8 | -61.5 | 160.3 | 0 | 0 | 0 | 111.5 | W818 E822 L825 F826 V840 Q841 T846 K847 | W818-I844 HydrophobicContact CH2-CD1 4.27Å; W818-I844 HydrophobicContact CZ3-CD1 4.22Å; E822-I844 HydrophobicContact CB-CG2 4.26Å; E822-I844 HydrophobicContact CG-CG2 4.29Å; L825-I844 HydrophobicContact CB-CG1 4.11Å; F826-I844 HydrophobicContact CB-CD1 3.78Å; F826-I844 HydrophobicContact CD2-CD1 3.84Å; F826-I844 HydrophobicContact CG-CD1 4.31Å; V840-I844 HydrophobicContact CG1-CD1 3.75Å; V840-I844 WeakPolarHBondContact O-CG1 3.39Å; V840-I844 PolarHBondContact O-N 2.83Å; Q841-I844 PolarHBondContact O-N 2.71Å; Q841-I844 VanDerWaalsContact O-N 3.11Å; I844-T846 PolarHBondContact O-N 3.3Å; I844-K847 HydrophobicContact CG2-CB 4.03Å; I844-K847 HydrophobicContact CG2-CG 3.84Å |
| 845 | Q | 91.7 | Very high | 93.1 | Very high | 146 Ų | 146 | 61.1 Ų | 61.1 | 68% | 0.682 | 31% | 0.313 | S | S | * | . | trans | 63 | -42.3 | 178.7 | -55.2 | -178.7 | 7 | 0 | 0 | 115.9 | Q841 K842 K847 | Q841-Q845 PolarHBondContact O-N 2.9Å; K842-Q845 VanDerWaalsContact O-CG 3.23Å; K842-Q845 WeakPolarHBondContact O-CG 3.41Å; K842-Q845 PolarHBondContact O-NE2 3.26Å; Q845-K847 PolarHBondContact O-N 3.15Å | ||
| 846 | T | 92.9 | Very high | 93 | Very high | 85 Ų | 85 | 55.7 Ų | 55.7 | 52% | 0.521 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -72.3 | -4.8 | -179.8 | 64.3 | 0 | 0 | 0 | 0 | 114.8 | E822 I844 | E822-T846 VanDerWaalsContact CD-OG1 3.28Å; E822-T846 WeakPolarHBondContact OE1-CB 3.42Å; E822-T846 PolarHBondContact OE1-OG1 2.88Å; I844-T846 PolarHBondContact O-N 3.3Å |
| 847 | K | 92.8 | Very high | 92.7 | Very high | 19 Ų | 19 | 59.1 Ų | 59.1 | 8% | 0.083 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -122.8 | 153.9 | -178 | -64.4 | -62.6 | -176.2 | -177.8 | 0 | 111 | H817 W818 Q841 I844 Q845 Q851 | H817-K847 WeakPolarHBondContact O-CE 3.3Å; H817-K847 PolarHBondContact O-NZ 2.95Å; W818-K847 HydrophobicContact CH2-CB 4.34Å; W818-K847 HydrophobicContact CH2-CG 3.83Å; W818-K847 HydrophobicContact CZ2-CD 4.16Å; W818-K847 HydrophobicContact CZ2-CG 3.95Å; W818-K847 HydrophobicContact CZ3-CG 4.21Å; Q841-K847 WeakPolarHBondContact CG-O 3.19Å; Q841-K847 PolarHBondContact NE2-O 3.14Å; I844-K847 HydrophobicContact CG2-CB 4.03Å; I844-K847 HydrophobicContact CG2-CG 3.84Å; Q845-K847 PolarHBondContact O-N 3.15Å; K847-Q851 HydrophobicContact CB-CB 4.34Å; K847-Q851 HydrophobicContact CD-CB 4.31Å |
| 848 | T | 94.3 | Very high | 92 | Very high | 76 Ų | 76 | 60.1 Ų | 60.1 | 47% | 0.466 | 31% | 0.307 | S | S | . | . | trans | -86.2 | 164.1 | 171.2 | 76.7 | 0 | 0 | 0 | 0 | 111.1 | A850 Q851 C852 | T848-A850 PolarHBondContact O-N 3.47Å; T848-A850 PolarHBondContact OG1-N 2.96Å; T848-Q851 PolarHBondContact O-N 3.3Å; T848-Q851 WeakPolarHBondContact OG1-CG 3.36Å; T848-Q851 PolarHBondContact OG1-N 3.17Å; T848-C852 PolarHBondContact O-N 3.19Å; T848-C852 PolarHBondContact O-SG 2.66Å; T848-C852 VanDerWaalsContact O-SG 3.32Å | ||
| 849 | V | 94.5 | Very high | 91 | Very high | 42 Ų | 42 | 54.7 Ų | 54.7 | 26% | 0.255 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.9 | -34.3 | 175.9 | -178.4 | 0 | 0 | 0 | 0 | 111.3 | F837 F838 Q841 V853 | F837-V849 HydrophobicContact CB-CG1 3.88Å; F838-V849 HydrophobicContact CD1-CG2 3.85Å; F838-V849 HydrophobicContact CE1-CG1 4.33Å; F838-V849 HydrophobicContact CE1-CG2 4.1Å; Q841-V849 HydrophobicContact CB-CG2 3.88Å; Q841-V849 HydrophobicContact CG-CG2 3.89Å; V849-V853 WeakPolarHBondContact O-CB 3.49Å; V849-V853 VanDerWaalsContact O-CG2 3.28Å; V849-V853 WeakPolarHBondContact O-CG2 3.48Å; V849-V853 PolarHBondContact O-N 3.29Å |
| 850 | A | 93.1 | Very high | 90.2 | Very high | 72 Ų | 72 | 55.6 Ų | 55.6 | 60% | 0.595 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -64.5 | -49.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | T848 C852 V853 E854 | T848-A850 PolarHBondContact O-N 3.47Å; T848-A850 PolarHBondContact OG1-N 2.96Å; A850-C852 VanDerWaalsContact C-N 3.34Å; A850-C852 PolarHBondContact O-N 3.41Å; A850-V853 PolarHBondContact O-N 3.2Å; A850-V853 VanDerWaalsContact O-N 3.09Å; A850-E854 PolarHBondContact O-N 3.11Å |
| 851 | Q | 91.2 | Very high | 88.7 | Confident | 39 Ų | 39 | 64.6 Ų | 64.6 | 18% | 0.182 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.5 | -42.6 | 177 | -64.5 | 174.2 | -47.9 | 0 | 0 | 111.6 | D816 W818 K847 T848 V853 E854 F855 | D816-Q851 PolarHBondContact OD1-NE2 3.48Å; D816-Q851 WeakPolarHBondContact OD2-CB 3.31Å; D816-Q851 WeakPolarHBondContact OD2-CG 3.41Å; W818-Q851 HydrophobicContact CZ2-CB 4.5Å; K847-Q851 HydrophobicContact CB-CB 4.34Å; K847-Q851 HydrophobicContact CD-CB 4.31Å; T848-Q851 PolarHBondContact O-N 3.3Å; T848-Q851 WeakPolarHBondContact OG1-CG 3.36Å; T848-Q851 PolarHBondContact OG1-N 3.17Å; Q851-V853 VanDerWaalsContact C-N 3.34Å; Q851-V853 PolarHBondContact O-N 3.05Å; Q851-E854 PolarHBondContact O-N 3.32Å; Q851-F855 WeakPolarHBondContact O-CB 3.47Å; Q851-F855 PolarHBondContact O-N 3.36Å |
| 852 | C | 92.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.4 | -36.1 | 174.7 | -65.6 | 0 | 0 | 0 | 0 | 113.1 | F826 T848 A850 Y856 | F826-C852 HydrophobicContact CE2-CB 4.45Å; F826-C852 WeakPolarHBondContact CE2-O 3.49Å; T848-C852 PolarHBondContact O-N 3.19Å; T848-C852 PolarHBondContact O-SG 2.66Å; T848-C852 VanDerWaalsContact O-SG 3.32Å; A850-C852 VanDerWaalsContact C-N 3.34Å; A850-C852 PolarHBondContact O-N 3.41Å; C852-Y856 WeakPolarHBondContact O-CB 3.45Å; C852-Y856 PolarHBondContact O-N 3.09Å |
| 853 | V | 92.4 | Very high | 85.4 | Confident | 45 Ų | 45 | 61.8 Ų | 61.8 | 27% | 0.273 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -72.1 | -40.3 | 175.1 | 168.5 | 0 | 0 | 0 | 0 | 111 | F837 V849 A850 Q851 Y856 Y857 | F837-V853 HydrophobicContact CB-CG2 3.97Å; F837-V853 HydrophobicContact CD1-CG2 3.85Å; F837-V853 HydrophobicContact CD2-CG2 3.61Å; F837-V853 HydrophobicContact CE1-CG2 4.23Å; F837-V853 HydrophobicContact CE2-CG2 4.01Å; F837-V853 HydrophobicContact CG-CG2 3.52Å; F837-V853 HydrophobicContact CZ-CG2 4.3Å; V849-V853 WeakPolarHBondContact O-CB 3.49Å; V849-V853 VanDerWaalsContact O-CG2 3.28Å; V849-V853 WeakPolarHBondContact O-CG2 3.48Å; V849-V853 PolarHBondContact O-N 3.29Å; A850-V853 PolarHBondContact O-N 3.2Å; A850-V853 VanDerWaalsContact O-N 3.09Å; Q851-V853 VanDerWaalsContact C-N 3.34Å; Q851-V853 PolarHBondContact O-N 3.05Å; V853-Y856 WeakPolarHBondContact O-CB 3.27Å; V853-Y856 PolarHBondContact O-N 3.46Å; V853-Y857 HydrophobicContact CG1-CD2 3.96Å; V853-Y857 HydrophobicContact CG1-CE2 4.03Å; V853-Y857 VanDerWaalsContact O-CD2 3.29Å; V853-Y857 WeakPolarHBondContact O-CD2 3.39Å; V853-Y857 PolarHBondContact O-N 2.97Å; V853-Y857 VanDerWaalsContact O-N 3.09Å |
| 854 | E | 89.4 | Confident | 83.5 | Confident | 35 Ų | 35 | 67 Ų | 67 | 16% | 0.164 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.8 | -51.8 | 175.8 | -170.2 | -173.4 | 153.8 | 0 | 0 | 111.1 | H811 T813 G814 A850 Q851 Y856 Y857 T858 | H811-E854 IonicContact CD2-OE2 2.69Å; H811-E854 IonicContact CE1-OE2 2.66Å; H811-E854 IonicContact NE2-OE2 2.67Å; H811-E854 PolarHBondContact NE2-OE2 3.35Å; T813-E854 VanDerWaalsContact CA-OE1 3.29Å; T813-E854 WeakPolarHBondContact CA-OE1 3.48Å; G814-E854 PolarHBondContact N-OE1 3.42Å; A850-E854 PolarHBondContact O-N 3.11Å; Q851-E854 PolarHBondContact O-N 3.32Å; E854-Y856 PolarHBondContact O-N 3.18Å; E854-Y857 CarbonylContact O-C 3.59Å; E854-Y857 WeakPolarHBondContact O-CA 3.43Å; E854-Y857 PolarHBondContact O-N 3.06Å; E854-T858 HydrophobicContact CG-CG2 4.34Å; E854-T858 PolarHBondContact O-N 3.3Å; E854-T858 PolarHBondContact O-OG1 3.08Å |
| 855 | F | 88.3 | Confident | 81.6 | Confident | 16 Ų | 16 | 72 Ų | 72 | 7% | 0.07 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -57.9 | -36.6 | 175.8 | -172.8 | -100.2 | 0 | 0 | 0 | 112 | W818 R823 F826 Q851 Y857 T858 Y859 | W818-F855 HydrophobicContact CB-CE2 4.36Å; W818-F855 AromaticContact CD1-CD2 3.75Å; W818-F855 HydrophobicContact CD2-CB 4.37Å; W818-F855 HydrophobicContact CD2-CD1 4.41Å; W818-F855 AromaticContact CD2-CD2 3.69Å; W818-F855 HydrophobicContact CD2-CD2 3.69Å; W818-F855 HydrophobicContact CD2-CE2 4.09Å; W818-F855 AromaticContact CD2-CG 3.89Å; W818-F855 HydrophobicContact CD2-CG 3.89Å; W818-F855 AromaticContact CE2-CD2 3.67Å; W818-F855 AromaticContact CE2-CG 3.61Å; W818-F855 HydrophobicContact CE3-CD1 4.29Å; W818-F855 HydrophobicContact CE3-CD2 4.3Å; W818-F855 HydrophobicContact CE3-CE1 4.48Å; W818-F855 HydrophobicContact CE3-CE2 4.48Å; W818-F855 HydrophobicContact CE3-CG 4.22Å; W818-F855 AromaticContact CG-CD2 3.79Å; W818-F855 HydrophobicContact CG-CD2 3.79Å; W818-F855 HydrophobicContact CG-CE2 4Å; W818-F855 HydrophobicContact CG-CG 4.47Å; W818-F855 HydrophobicContact CH2-CB 3.98Å; W818-F855 HydrophobicContact CH2-CD1 4.17Å; W818-F855 HydrophobicContact CH2-CG 4.07Å; W818-F855 HydrophobicContact CZ2-CB 3.37Å; W818-F855 HydrophobicContact CZ2-CD1 4.31Å; W818-F855 HydrophobicContact CZ2-CD2 4.29Å; W818-F855 AromaticContact CZ2-CG 3.74Å; W818-F855 HydrophobicContact CZ2-CG 3.74Å; W818-F855 HydrophobicContact CZ3-CD1 4.16Å; W818-F855 HydrophobicContact CZ3-CG 4.3Å; W818-F855 AromaticContact NE1-CD2 3.7Å; R823-F855 HydrophobicContact CG-CE1 4.44Å; R823-F855 HydrophobicContact CG-CE2 4.32Å; R823-F855 HydrophobicContact CG-CZ 3.78Å; F826-F855 AromaticContact CD1-CD1 3.63Å; F826-F855 HydrophobicContact CD1-CD1 3.63Å; F826-F855 AromaticContact CD1-CE1 3.53Å; F826-F855 HydrophobicContact CD1-CE1 3.53Å; F826-F855 HydrophobicContact CD2-CD1 4.03Å; F826-F855 AromaticContact CE1-CD1 3.58Å; F826-F855 HydrophobicContact CE1-CD1 3.58Å; F826-F855 AromaticContact CE1-CE1 3.76Å; F826-F855 HydrophobicContact CE1-CE1 3.76Å; F826-F855 AromaticContact CE2-CD1 3.99Å; F826-F855 HydrophobicContact CE2-CD1 3.99Å; F826-F855 AromaticContact CG-CD1 3.86Å; F826-F855 HydrophobicContact CG-CD1 3.86Å; F826-F855 HydrophobicContact CG-CE1 4.01Å; F826-F855 AromaticContact CZ-CD1 3.76Å; F826-F855 HydrophobicContact CZ-CD1 3.76Å; F826-F855 HydrophobicContact CZ-CE1 4.41Å; Q851-F855 WeakPolarHBondContact O-CB 3.47Å; Q851-F855 PolarHBondContact O-N 3.36Å; F855-Y857 VanDerWaalsContact C-N 3.34Å; F855-Y857 PolarHBondContact O-N 3.36Å; F855-T858 WeakPolarHBondContact CA-OG1 3.33Å; F855-T858 PolarHBondContact O-OG1 3.1Å; F855-Y859 HydrophobicContact CE1-CD2 4.38Å; F855-Y859 HydrophobicContact CE1-CG 4.34Å; F855-Y859 AromaticContact CE2-CD2 3.82Å; F855-Y859 HydrophobicContact CE2-CD2 3.82Å; F855-Y859 HydrophobicContact CE2-CG 4.46Å; F855-Y859 AromaticContact CZ-CD2 3.57Å; F855-Y859 HydrophobicContact CZ-CD2 3.57Å; F855-Y859 HydrophobicContact CZ-CE2 4.36Å; F855-Y859 AromaticContact CZ-CG 3.98Å; F855-Y859 HydrophobicContact CZ-CG 3.98Å; F855-Y859 WeakPolarHBondContact O-CB 3.39Å; F855-Y859 PolarHBondContact O-N 3.4Å |
| 856 | Y | 89.5 | Confident | 79.8 | Confident | 16 Ų | 16 | 66 Ų | 66 | 6% | 0.063 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.5 | -43.2 | 170.2 | 178 | -102.4 | 0 | 0 | 0 | 112.4 | F826 I830 K835 F837 C852 V853 E854 K860 F873 | F826-Y856 HydrophobicContact CZ-CD2 4.34Å; I830-Y856 HydrophobicContact CD1-CD2 4.23Å; K835-Y856 WeakPolarHBondContact CE-OH 3.29Å; F837-Y856 HydrophobicContact CE1-CD1 4.37Å; F837-Y856 HydrophobicContact CE1-CD2 4.23Å; F837-Y856 AromaticContact CE1-CG 3.85Å; F837-Y856 HydrophobicContact CE1-CG 3.85Å; F837-Y856 AromaticContact CZ-CD1 3.81Å; F837-Y856 HydrophobicContact CZ-CD1 3.81Å; F837-Y856 HydrophobicContact CZ-CD2 4.22Å; F837-Y856 HydrophobicContact CZ-CE1 4.33Å; F837-Y856 AromaticContact CZ-CG 3.74Å; F837-Y856 HydrophobicContact CZ-CG 3.74Å; C852-Y856 WeakPolarHBondContact O-CB 3.45Å; C852-Y856 PolarHBondContact O-N 3.09Å; V853-Y856 WeakPolarHBondContact O-CB 3.27Å; V853-Y856 PolarHBondContact O-N 3.46Å; E854-Y856 PolarHBondContact O-N 3.18Å; Y856-K860 HydrophobicContact CE1-CD 3.77Å; Y856-K860 HydrophobicContact CE2-CD 4.44Å; Y856-K860 WeakPolarHBondContact O-CB 3.21Å; Y856-K860 PolarHBondContact O-N 2.85Å; Y856-K860 PolarHBondContact OH-NZ 2.92Å; Y856-F873 HydrophobicContact CD2-CE1 4.1Å; Y856-F873 AromaticContact CE2-CE1 3.96Å; Y856-F873 HydrophobicContact CE2-CE1 3.96Å; Y856-F873 HydrophobicContact CE2-CZ 4.13Å |
| 857 | Y | 87.4 | Confident | 77.7 | Confident | 140 Ų | 140 | 73.5 Ų | 73.5 | 55% | 0.549 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -82.3 | -31.3 | -176.4 | -83.3 | -76.8 | 0 | 0 | 0 | 114.7 | V853 E854 F855 | V853-Y857 HydrophobicContact CG1-CD2 3.96Å; V853-Y857 HydrophobicContact CG1-CE2 4.03Å; V853-Y857 VanDerWaalsContact O-CD2 3.29Å; V853-Y857 WeakPolarHBondContact O-CD2 3.39Å; V853-Y857 PolarHBondContact O-N 2.97Å; V853-Y857 VanDerWaalsContact O-N 3.09Å; E854-Y857 CarbonylContact O-C 3.59Å; E854-Y857 WeakPolarHBondContact O-CA 3.43Å; E854-Y857 PolarHBondContact O-N 3.06Å; F855-Y857 VanDerWaalsContact C-N 3.34Å; F855-Y857 PolarHBondContact O-N 3.36Å |
| 858 | T | 80.3 | Confident | 75.5 | Confident | 53 Ų | 53 | 78.3 Ų | 78.3 | 33% | 0.325 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -69 | -52.7 | 170.5 | 57.4 | 0 | 0 | 0 | 0 | 109.8 | E854 F855 K860 K861 | E854-T858 HydrophobicContact CG-CG2 4.34Å; E854-T858 PolarHBondContact O-N 3.3Å; E854-T858 PolarHBondContact O-OG1 3.08Å; F855-T858 WeakPolarHBondContact CA-OG1 3.33Å; F855-T858 PolarHBondContact O-OG1 3.1Å; T858-K860 PolarHBondContact O-N 3.2Å; T858-K861 PolarHBondContact O-N 3.39Å |
| 859 | Y | 73.7 | Confident | 73.5 | Confident | 33 Ų | 33 | 77.1 Ų | 77.1 | 13% | 0.129 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -72.5 | -31.1 | -174.3 | -145.9 | -77.3 | 0 | 0 | 0 | 113.6 | F855 K861 Q862 V863 F873 G874 D875 | F855-Y859 HydrophobicContact CE1-CD2 4.38Å; F855-Y859 HydrophobicContact CE1-CG 4.34Å; F855-Y859 AromaticContact CE2-CD2 3.82Å; F855-Y859 HydrophobicContact CE2-CD2 3.82Å; F855-Y859 HydrophobicContact CE2-CG 4.46Å; F855-Y859 AromaticContact CZ-CD2 3.57Å; F855-Y859 HydrophobicContact CZ-CD2 3.57Å; F855-Y859 HydrophobicContact CZ-CE2 4.36Å; F855-Y859 AromaticContact CZ-CG 3.98Å; F855-Y859 HydrophobicContact CZ-CG 3.98Å; F855-Y859 WeakPolarHBondContact O-CB 3.39Å; F855-Y859 PolarHBondContact O-N 3.4Å; Y859-K861 PolarHBondContact O-N 3.35Å; Y859-Q862 HydrophobicContact CD1-CB 4.35Å; Y859-Q862 HydrophobicContact CE1-CB 4.07Å; Y859-Q862 WeakPolarHBondContact O-CA 3.43Å; Y859-Q862 WeakPolarHBondContact O-CB 3.2Å; Y859-Q862 PolarHBondContact O-N 3.47Å; Y859-Q862 PolarHBondContact OH-OE1 2.75Å; Y859-V863 HydrophobicContact CD1-CG2 4.43Å; Y859-V863 PolarHBondContact O-N 2.85Å; Y859-F873 HydrophobicContact CD1-CB 3.79Å; Y859-F873 HydrophobicContact CD1-CD1 4.35Å; Y859-F873 HydrophobicContact CE1-CB 4.3Å; Y859-G874 VanDerWaalsContact OH-CA 3.31Å; Y859-G874 WeakPolarHBondContact OH-CA 3.25Å; Y859-D875 PolarHBondContact OH-N 3.42Å; Y859-D875 VanDerWaalsContact OH-N 3.15Å |
| 860 | K | 77.7 | Confident | 71.5 | Confident | 92 Ų | 92 | 78.8 Ų | 78.8 | 40% | 0.4 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -25.7 | 176.3 | 173.9 | 176.7 | -174.2 | 172.4 | 0 | 114.4 | Y856 T858 Q862 | Y856-K860 HydrophobicContact CE1-CD 3.77Å; Y856-K860 HydrophobicContact CE2-CD 4.44Å; Y856-K860 WeakPolarHBondContact O-CB 3.21Å; Y856-K860 PolarHBondContact O-N 2.85Å; Y856-K860 PolarHBondContact OH-NZ 2.92Å; T858-K860 PolarHBondContact O-N 3.2Å; K860-Q862 PolarHBondContact O-N 2.83Å |
| 861 | K | 64.1 | Low | 69.7 | Low | 188 Ų | 188 | 79.8 Ų | 79.8 | 82% | 0.817 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -24.5 | 173.9 | -62.5 | 174.5 | -174.3 | 171.1 | 0 | 112.3 | T858 Y859 | T858-K861 PolarHBondContact O-N 3.39Å; Y859-K861 PolarHBondContact O-N 3.35Å |
| 862 | Q | 60.8 | Low | 68.1 | Low | 118 Ų | 118 | 80.4 Ų | 80.4 | 55% | 0.551 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -8.3 | -177 | -55.3 | -179 | -1.2 | 0 | 0 | 113.3 | Y859 K860 K864 | Y859-Q862 HydrophobicContact CD1-CB 4.35Å; Y859-Q862 HydrophobicContact CE1-CB 4.07Å; Y859-Q862 WeakPolarHBondContact O-CA 3.43Å; Y859-Q862 WeakPolarHBondContact O-CB 3.2Å; Y859-Q862 PolarHBondContact O-N 3.47Å; Y859-Q862 PolarHBondContact OH-OE1 2.75Å; K860-Q862 PolarHBondContact O-N 2.83Å; Q862-K864 PolarHBondContact O-N 2.78Å |
| 863 | V | 59.2 | Low | 66.5 | Low | 25 Ų | 25 | 81 Ų | 81 | 15% | 0.152 | 40% | 0.4 | C | S | . | . | trans | -67.4 | 98.4 | -176.1 | 178.4 | 0 | 0 | 0 | 0 | 111.4 | Y859 L871 F873 | Y859-V863 HydrophobicContact CD1-CG2 4.43Å; Y859-V863 PolarHBondContact O-N 2.85Å; V863-L871 HydrophobicContact CG1-CB 3.97Å; V863-L871 HydrophobicContact CG1-CD2 3.71Å; V863-L871 HydrophobicContact CG1-CG 4.39Å; V863-F873 HydrophobicContact CG2-CB 4.44Å; V863-F873 HydrophobicContact CG2-CD1 3.32Å; V863-F873 HydrophobicContact CG2-CD2 4.43Å; V863-F873 HydrophobicContact CG2-CE1 3.57Å; V863-F873 HydrophobicContact CG2-CG 3.79Å; V863-F873 HydrophobicContact CG2-CZ 4.22Å | ||
| 864 | K | 55.3 | Low | 64.6 | Low | 159 Ų | 159 | 80 Ų | 80 | 69% | 0.691 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -70.5 | 137.1 | 158 | -58.4 | 170.2 | -171.8 | 167.5 | 0 | 107.7 | Q862 G866 | Q862-K864 PolarHBondContact O-N 2.78Å; K864-G866 PolarHBondContact O-N 2.9Å |
| 865 | I | 52.7 | Low | 62.6 | Low | 113 Ų | 113 | 83.4 Ų | 83.4 | 58% | 0.579 | 42% | 0.418 | S | S | * | . | B | Isolated β-bridge | trans | -75.8 | 122.9 | 170.2 | -69.4 | 62 | 0 | 0 | 0 | 106.4 | L871 | I865-L871 HydrophobicContact CD1-CD2 4.14Å; I865-L871 HydrophobicContact CG1-CD2 3.88Å |
| 866 | G | 54.8 | Low | 60.8 | Low | 21 Ų | 21 | 85.7 Ų | 85.7 | 22% | 0.216 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 161.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | K864 N868 G869 T870 | K864-G866 PolarHBondContact O-N 2.9Å; G866-N868 PolarHBondContact O-N 2.98Å; G866-G869 PolarHBondContact O-N 3.06Å; G866-T870 PolarHBondContact N-O 2.88Å; G866-T870 VanDerWaalsContact N-O 3.09Å |
| 867 | R | 47.1 | Very low | 58.7 | Low | 242 Ų | 242 | 90.2 Ų | 90.2 | 91% | 0.913 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -22.6 | 176.9 | -66.3 | 176.7 | 177.7 | 124.7 | -7 | 113.1 | D880 | R867-D880 IonicContact NH1-OD1 3.75Å; R867-D880 PolarHBondContact NH1-OD1 3.36Å |
| 868 | N | 48 | Very low | 56.6 | Low | 120 Ų | 120 | 89.4 Ų | 89.4 | 64% | 0.642 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | 3.2 | 177.7 | 57.5 | 7.4 | 0 | 0 | 0 | 114.8 | G866 T870 | G866-N868 PolarHBondContact O-N 2.98Å; N868-T870 PolarHBondContact O-N 3.25Å; N868-T870 WeakPolarHBondContact OD1-CB 3.26Å; N868-T870 PolarHBondContact OD1-N 2.85Å |
| 869 | G | 51.7 | Low | 54.9 | Low | 51 Ų | 51 | 97.1 Ų | 97.1 | 53% | 0.526 | 49% | 0.491 | S | S | . | . | S | Bend | trans | 80.1 | -5.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | G866 | G866-G869 PolarHBondContact O-N 3.06Š|
| 870 | T | 52.2 | Low | 53.3 | Low | 76 Ų | 76 | 99.2 Ų | 99.2 | 47% | 0.466 | 51% | 0.505 | S | S | . | . | trans | -70.4 | 137.5 | 175.8 | -60.4 | 0 | 0 | 0 | 0 | 110.6 | G866 N868 T872 | G866-T870 PolarHBondContact N-O 2.88Å; G866-T870 VanDerWaalsContact N-O 3.09Å; N868-T870 PolarHBondContact O-N 3.25Å; N868-T870 WeakPolarHBondContact OD1-CB 3.26Å; N868-T870 PolarHBondContact OD1-N 2.85Å; T870-T872 HydrophobicContact CG2-CG2 4.39Å; T870-T872 PolarHBondContact O-N 3.13Å | ||
| 871 | L | 56.2 | Low | 51.7 | Low | 94 Ų | 94 | 102.4 Ų | 102.4 | 49% | 0.492 | 52% | 0.521 | S | S | . | . | B | Isolated β-bridge | trans | -79.8 | 92.5 | 170 | -63.1 | 177.7 | 0 | 0 | 0 | 108.9 | V863 I865 F873 | V863-L871 HydrophobicContact CG1-CB 3.97Å; V863-L871 HydrophobicContact CG1-CD2 3.71Å; V863-L871 HydrophobicContact CG1-CG 4.39Å; I865-L871 HydrophobicContact CD1-CD2 4.14Å; I865-L871 HydrophobicContact CG1-CD2 3.88Å; L871-F873 HydrophobicContact CB-CD2 4.37Å; L871-F873 HydrophobicContact CB-CE2 3.72Å; L871-F873 HydrophobicContact CB-CZ 4.32Å; L871-F873 WeakPolarHBondContact O-CD2 3.35Å; L871-F873 WeakPolarHBondContact O-CE2 3.43Å; L871-F873 PolarHBondContact O-N 2.96Å |
| 872 | T | 56.6 | Low | 50.5 | Low | 52 Ų | 52 | 102.6 Ų | 102.6 | 32% | 0.319 | 52% | 0.522 | S | S | . | . | trans | -80.5 | 107.7 | 174.2 | 42.5 | 0 | 0 | 0 | 0 | 110.1 | T870 G874 | T870-T872 HydrophobicContact CG2-CG2 4.39Å; T870-T872 PolarHBondContact O-N 3.13Å; T872-G874 PolarHBondContact O-N 3.32Å | ||
| 873 | F | 58.5 | Low | 49.4 | Very low | 12 Ų | 12 | 100.2 Ų | 100.2 | 5% | 0.053 | 52% | 0.518 | C | S | . | . | trans | -87.5 | 59.8 | 173.2 | -60 | -106 | 0 | 0 | 0 | 109.8 | F826 N827 I830 Y856 Y859 V863 L871 | F826-F873 HydrophobicContact CE1-CD1 4.48Å; N827-F873 PolarHBondContact ND2-O 3.22Å; N827-F873 WeakPolarHBondContact OD1-CB 3.5Å; N827-F873 PolarHBondContact OD1-O 2.98Å; N827-F873 VanDerWaalsContact OD1-O 3.04Å; I830-F873 HydrophobicContact CG2-CD2 4.22Å; I830-F873 HydrophobicContact CG2-CE2 3.55Å; I830-F873 HydrophobicContact CG2-CZ 3.82Å; Y856-F873 HydrophobicContact CD2-CE1 4.1Å; Y856-F873 AromaticContact CE2-CE1 3.96Å; Y856-F873 HydrophobicContact CE2-CE1 3.96Å; Y856-F873 HydrophobicContact CE2-CZ 4.13Å; Y859-F873 HydrophobicContact CD1-CB 3.79Å; Y859-F873 HydrophobicContact CD1-CD1 4.35Å; Y859-F873 HydrophobicContact CE1-CB 4.3Å; V863-F873 HydrophobicContact CG2-CB 4.44Å; V863-F873 HydrophobicContact CG2-CD1 3.32Å; V863-F873 HydrophobicContact CG2-CD2 4.43Å; V863-F873 HydrophobicContact CG2-CE1 3.57Å; V863-F873 HydrophobicContact CG2-CG 3.79Å; V863-F873 HydrophobicContact CG2-CZ 4.22Å; L871-F873 HydrophobicContact CB-CD2 4.37Å; L871-F873 HydrophobicContact CB-CE2 3.72Å; L871-F873 HydrophobicContact CB-CZ 4.32Å; L871-F873 WeakPolarHBondContact O-CD2 3.35Å; L871-F873 WeakPolarHBondContact O-CE2 3.43Å; L871-F873 PolarHBondContact O-N 2.96Å | ||
| 874 | G | 53.4 | Low | 48.5 | Very low | 25 Ų | 25 | 102.1 Ų | 102.1 | 26% | 0.258 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -164.4 | 160.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y859 T872 | Y859-G874 VanDerWaalsContact OH-CA 3.31Å; Y859-G874 WeakPolarHBondContact OH-CA 3.25Å; T872-G874 PolarHBondContact O-N 3.32Å |
| 875 | D | 47.3 | Very low | 47.5 | Very low | 105 Ų | 105 | 103.2 Ų | 103.2 | 56% | 0.561 | 54% | 0.544 | S | S | * | . | trans | -63.7 | 142.6 | 162.7 | -175.8 | 9 | 0 | 0 | 0 | 109.7 | Y859 D877 | Y859-D875 PolarHBondContact OH-N 3.42Å; Y859-D875 VanDerWaalsContact OH-N 3.15Å; D875-D877 WeakPolarHBondContact OD1-CB 3.41Å; D875-D877 PolarHBondContact OD1-N 3.27Å | ||
| 876 | V | 50.5 | Low | 46.9 | Very low | 65 Ų | 65 | 106.1 Ų | 106.1 | 39% | 0.394 | 56% | 0.556 | S | S | . | * | trans | -115.9 | -11.3 | -175.4 | 179.5 | 0 | 0 | 0 | 0 | 110.9 | T878 R879 | V876-T878 PolarHBondContact O-N 3.49Å; V876-R879 PolarHBondContact O-N 3.17Å | ||
| 877 | D | 45.7 | Very low | 46.1 | Very low | 110 Ų | 110 | 113.8 Ų | 113.8 | 59% | 0.588 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | 26 | -160.4 | -56.3 | -8.3 | 0 | 0 | 0 | 112.7 | D875 | D875-D877 WeakPolarHBondContact OD1-CB 3.41Å; D875-D877 PolarHBondContact OD1-N 3.27Å |
| 878 | T | 43.3 | Very low | 45.9 | Very low | 124 Ų | 124 | 107.9 Ų | 107.9 | 76% | 0.761 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.3 | 10.6 | 173.9 | 47.5 | 0 | 0 | 0 | 0 | 113.7 | V876 | V876-T878 PolarHBondContact O-N 3.49Š|
| 879 | R | 44.7 | Very low | 45.5 | Very low | 214 Ų | 214 | 111 Ų | 111 | 81% | 0.808 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.9 | -32.5 | 172.3 | -78.2 | -169 | 167.6 | -162 | -8.1 | 116 | V876 S883 | V876-R879 PolarHBondContact O-N 3.17Å; R879-S883 PolarHBondContact O-OG 3.26Å |
| 880 | D | 39.4 | Very low | 44.7 | Very low | 77 Ų | 77 | 115 Ų | 115 | 41% | 0.412 | 60% | 0.601 | S | S | . | * | S | Bend | trans | -66 | -42.8 | 179.4 | -103.9 | -123.3 | 0 | 0 | 0 | 111.6 | R867 K882 S883 A884 | R867-D880 IonicContact NH1-OD1 3.75Å; R867-D880 PolarHBondContact NH1-OD1 3.36Å; D880-K882 PolarHBondContact O-N 3.18Å; D880-S883 PolarHBondContact O-N 3.22Å; D880-S883 PolarHBondContact O-OG 3.15Å; D880-A884 WeakPolarHBondContact O-CB 3.28Å; D880-A884 PolarHBondContact O-N 2.97Å |
| 881 | E | 44.6 | Very low | 43.6 | Very low | 159 Ų | 159 | 118.5 Ų | 118.5 | 74% | 0.743 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -58.4 | -41.7 | -173.9 | -67.7 | -138.8 | 110.6 | 0 | 0 | 114 | S883 A884 | E881-S883 VanDerWaalsContact C-N 3.25Å; E881-S883 PolarHBondContact O-N 3.36Å; E881-A884 PolarHBondContact O-N 3.35Å |
| 882 | K | 37.5 | Very low | 42.7 | Very low | 192 Ų | 192 | 119.7 Ų | 119.7 | 84% | 0.835 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -76.1 | -11.1 | 179.7 | -164.2 | 158 | -174 | 169.9 | 0 | 113.7 | D880 | D880-K882 PolarHBondContact O-N 3.18Å |
| 883 | S | 39.5 | Very low | 41.7 | Very low | 68 Ų | 68 | 125.3 Ų | 125.3 | 48% | 0.476 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -97.7 | -23.1 | 169.2 | 45.9 | 0 | 0 | 0 | 0 | 113.5 | R879 D880 E881 Q885 | R879-S883 PolarHBondContact O-OG 3.26Å; D880-S883 PolarHBondContact O-N 3.22Å; D880-S883 PolarHBondContact O-OG 3.15Å; E881-S883 VanDerWaalsContact C-N 3.25Å; E881-S883 PolarHBondContact O-N 3.36Å; S883-Q885 VanDerWaalsContact C-N 3.31Å; S883-Q885 PolarHBondContact O-N 2.85Å |
| 884 | A | 39.1 | Very low | 40.3 | Very low | 66 Ų | 66 | 131.2 Ų | 131.2 | 55% | 0.545 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -74.7 | -19.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | D880 E881 | D880-A884 WeakPolarHBondContact O-CB 3.28Å; D880-A884 PolarHBondContact O-N 2.97Å; E881-A884 PolarHBondContact O-N 3.35Å |
| 885 | Q | 34.9 | Very low | 39.2 | Very low | 181 Ų | 181 | 135 Ų | 135 | 85% | 0.846 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | -2.7 | -178.3 | -165.9 | 157.4 | -41.5 | 0 | 0 | 114.1 | S883 | S883-Q885 VanDerWaalsContact C-N 3.31Å; S883-Q885 PolarHBondContact O-N 2.85Å |
| 886 | E | 40.2 | Very low | 38.4 | Very low | 175 Ų | 175 | 139 Ų | 139 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -103.2 | -7.7 | 179.7 | -154 | 173.4 | 143.9 | 0 | 0 | 112.9 | ||
| 887 | E | 36.8 | Very low | 37.4 | Very low | 181 Ų | 181 | 145.1 Ų | 145.1 | 85% | 0.846 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -104.7 | 19.2 | -176 | -150.7 | 177.3 | -148.1 | 0 | 0 | 113.5 | ||
| 888 | V | 44.3 | Very low | 36.5 | Very low | 119 Ų | 119 | 149.5 Ų | 149.5 | 72% | 0.721 | 76% | 0.758 | S | S | * | * | trans | -129.6 | 57.3 | -178.5 | -163.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 889 | E | 39.3 | Very low | 35.9 | Very low | 184 Ų | 184 | 148.8 Ų | 148.8 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -149.7 | 100 | 153.2 | -121.8 | 163.1 | -144.6 | 0 | 0 | 112.1 | ||
| 890 | V | 35.3 | Very low | 35 | Very low | 136 Ų | 136 | 149.7 Ų | 149.7 | 82% | 0.824 | 76% | 0.76 | S | S | * | * | trans | 24.6 | 121.2 | 159.7 | -69.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 891 | D | 28.8 | Very low | 34.3 | Very low | 150 Ų | 150 | 151.5 Ų | 151.5 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | trans | -116.7 | 137.2 | 139.5 | 172.6 | 43.9 | 0 | 0 | 0 | 110 | ||||
| 892 | V | 36.8 | Very low | 33.8 | Very low | 118 Ų | 118 | 145.9 Ų | 145.9 | 72% | 0.715 | 75% | 0.75 | S | S | * | * | trans | -136 | 85.5 | 172.6 | -175.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 893 | K | 36.1 | Very low | 34 | Very low | 171 Ų | 171 | 141.4 Ų | 141.4 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | trans | 38.3 | 128.9 | 147.9 | -57.8 | 172.4 | -179.2 | 168.1 | 0 | 116.3 | ||||
| 894 | T | 29.2 | Very low | 33.7 | Very low | 135 Ų | 135 | 142.9 Ų | 142.9 | 83% | 0.828 | 75% | 0.749 | S | S | * | * | -168.2 | 129.3 | 78.8 | 20.9 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 895 | S | 29.9 | Very low | 33 | Very low | 106 Ų | 106 | 150 Ų | 150 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | trans | 11.5 | 121.5 | 141.4 | 171 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 896 | Q | 30.3 | Very low | 32.7 | Very low | 188 Ų | 188 | 151.9 Ų | 151.9 | 88% | 0.879 | 76% | 0.761 | S | S | * | * | -161.4 | -165 | 122.2 | -110.6 | 179 | 96 | 0 | 0 | 114.1 | |||||
| 897 | K | 29.3 | Very low | 31.9 | Very low | 193 Ų | 193 | 151.4 Ų | 151.4 | 84% | 0.839 | 76% | 0.759 | S | S | * | * | trans | -94.5 | 160.4 | -155.4 | -65.6 | 174.9 | 179.4 | 170.9 | 0 | 116.7 | ||||
| 898 | F | 26.2 | Very low | 31.3 | Very low | 202 Ų | 202 | 148 Ų | 148 | 89% | 0.886 | 75% | 0.754 | S | S | * | * | trans | -44 | 169.3 | 159.5 | -64.9 | -90.6 | 0 | 0 | 0 | 116.1 | ||||
| 899 | P | 32.5 | Very low | 31.1 | Very low | 109 Ų | 109 | 148.2 Ų | 148.2 | 71% | 0.708 | 76% | 0.759 | S | S | * | * | cis | -139 | 171.4 | -3.6 | 37.4 | -18.2 | 0 | 0 | 0 | 118.5 | ||||
| 900 | R | 24 | Very low | 30.4 | Very low | 234 Ų | 234 | 144 Ų | 144 | 88% | 0.883 | 75% | 0.749 | S | S | * | * | trans | 66.8 | 127.6 | 144.5 | -89.3 | -169.1 | 172.5 | -178.4 | -1.9 | 123.9 | ||||
| 901 | V | 26.1 | Very low | 30 | Very low | 114 Ų | 114 | 145.3 Ų | 145.3 | 69% | 0.691 | 75% | 0.747 | S | S | * | * | trans | 92.4 | 136.2 | 132.4 | 167.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 902 | P | 34.6 | Very low | 29.8 | Very low | 41 Ų | 41 | 144.8 Ų | 144.8 | 27% | 0.266 | 74% | 0.739 | S | S | . | * | trans | -101.1 | -164.1 | -178.1 | 44.5 | -42.5 | 0 | 0 | 0 | 113.5 | A964 A965 | P902-A964 HydrophobicContact CB-CB 4.39Å; P902-A964 VanDerWaalsContact CB-O 3.28Å; P902-A964 WeakPolarHBondContact CB-O 3.32Å; P902-A964 WeakPolarHBondContact CD-O 3.21Å; P902-A964 HydrophobicContact CG-CB 4.1Å; P902-A964 VanDerWaalsContact CG-O 3.24Å; P902-A964 WeakPolarHBondContact CG-O 3.22Å; P902-A965 HydrophobicContact CB-CB 3.65Å | ||
| 903 | P | 41.1 | Very low | 29.3 | Very low | 98 Ų | 98 | 148 Ų | 148 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | cis | -120.8 | -116.5 | -6.4 | 24 | 3.9 | 0 | 0 | 0 | 110.4 | ||||
| 904 | P | 33.7 | Very low | 28.9 | Very low | 100 Ų | 100 | 146.3 Ų | 146.3 | 65% | 0.649 | 74% | 0.737 | S | S | * | * | cis | -137.2 | 170.6 | -32.1 | 40 | -21.7 | 0 | 0 | 0 | 118.3 | ||||
| 905 | R | 24.5 | Very low | 28.6 | Very low | 214 Ų | 214 | 147 Ų | 147 | 81% | 0.808 | 73% | 0.731 | S | S | * | * | trans | 69.3 | 141.3 | 165.3 | -76.7 | 178.6 | 158.6 | 89 | -5.6 | 117.2 | ||||
| 906 | R | 26.8 | Very low | 28.8 | Very low | 222 Ų | 222 | 147.2 Ų | 147.2 | 84% | 0.838 | 73% | 0.73 | S | S | * | * | 69.9 | 125.5 | 54.2 | -132 | 179 | -166.9 | 175.6 | 5 | 110.1 | |||||
| 907 | E | 23.8 | Very low | 28.5 | Very low | 165 Ų | 165 | 145.9 Ų | 145.9 | 77% | 0.771 | 72% | 0.721 | S | S | * | * | -151 | 172.9 | 65.1 | -88.4 | 162.4 | -167.3 | 0 | 0 | 117.2 | |||||
| 908 | S | 24.8 | Very low | 28.3 | Very low | 108 Ų | 108 | 146.2 Ų | 146.2 | 76% | 0.755 | 72% | 0.717 | S | S | * | * | trans | -91.9 | -150.2 | 168.5 | -38.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 909 | P | 40.7 | Very low | 28.2 | Very low | 125 Ų | 125 | 144.1 Ų | 144.1 | 81% | 0.812 | 71% | 0.71 | S | S | * | * | cis | -106 | -164.5 | 0.5 | 41.5 | -26.2 | 0 | 0 | 0 | 111.4 | ||||
| 910 | S | 23.8 | Very low | 28 | Very low | 95 Ų | 95 | 145.2 Ų | 145.2 | 66% | 0.664 | 71% | 0.714 | S | S | * | * | cis | -152.4 | 175.3 | 25.8 | 68.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 911 | E | 27.7 | Very low | 28.1 | Very low | 163 Ų | 163 | 143.7 Ų | 143.7 | 76% | 0.762 | 71% | 0.714 | S | S | * | * | cis | -157.5 | 170.3 | 5 | -135 | 153.7 | 157.1 | 0 | 0 | 112 | ||||
| 912 | E | 24.9 | Very low | 28.1 | Very low | 140 Ų | 140 | 146 Ų | 146 | 65% | 0.654 | 72% | 0.718 | S | S | * | * | trans | 30.2 | 132.9 | 141.6 | -156.8 | 87.4 | -177.2 | 0 | 0 | 120.8 | ||||
| 913 | R | 25.9 | Very low | 28.4 | Very low | 184 Ų | 184 | 148.9 Ų | 148.9 | 69% | 0.694 | 74% | 0.736 | S | S | * | * | cis | 174 | 165.9 | -5 | 176.2 | 168.6 | 179.7 | 166.5 | 2.4 | 112.9 | ||||
| 914 | L | 26.4 | Very low | 27.7 | Very low | 137 Ų | 137 | 155.2 Ų | 155.2 | 72% | 0.717 | 75% | 0.747 | S | S | * | * | trans | 71.5 | 118.7 | 159.9 | -85.1 | 157.3 | 0 | 0 | 0 | 121 | ||||
| 915 | E | 23.9 | Very low | 27.7 | Very low | 149 Ų | 149 | 156.5 Ų | 156.5 | 70% | 0.696 | 74% | 0.742 | S | S | * | * | 26.1 | 156.6 | 119.2 | -64.7 | -68.5 | 146.7 | 0 | 0 | 121.9 | |||||
| 916 | P | 33.8 | Very low | 27.9 | Very low | 111 Ų | 111 | 153.5 Ų | 153.5 | 72% | 0.721 | 74% | 0.738 | S | S | * | * | cis | -138.1 | -179.6 | 0.8 | 32.8 | -9.7 | 0 | 0 | 0 | 117.5 | ||||
| 917 | K | 24 | Very low | 27.8 | Very low | 160 Ų | 160 | 145.1 Ų | 145.1 | 70% | 0.696 | 72% | 0.72 | S | S | * | * | trans | -27.5 | 152.1 | 158.6 | -73.6 | 167.5 | 179 | 150.9 | 0 | 121.4 | ||||
| 918 | R | 24.4 | Very low | 28.2 | Very low | 200 Ų | 200 | 144.8 Ų | 144.8 | 76% | 0.755 | 72% | 0.719 | S | S | * | * | trans | 80.6 | 128.1 | 130.3 | -82.7 | 176.8 | 179.4 | 169.2 | -2.1 | 123.1 | ||||
| 919 | E | 24.5 | Very low | 28.6 | Very low | 158 Ų | 158 | 147.9 Ų | 147.9 | 74% | 0.738 | 72% | 0.721 | S | S | * | * | 37.3 | 129.9 | 118.6 | -66.1 | 176.6 | 120.3 | 0 | 0 | 122.2 | |||||
| 920 | V | 28.1 | Very low | 27.9 | Very low | 131 Ų | 131 | 149.8 Ų | 149.8 | 79% | 0.794 | 72% | 0.719 | S | S | * | * | trans | 73.1 | 116.8 | 144.8 | 175.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 921 | K | 25.8 | Very low | 28.8 | Very low | 203 Ų | 203 | 151.3 Ų | 151.3 | 88% | 0.883 | 72% | 0.724 | S | S | * | * | -164.1 | 136.3 | 125.7 | -114.8 | 173.5 | -176.9 | 179.1 | 0 | 115.8 | |||||
| 922 | E | 28 | Very low | 29.6 | Very low | 163 Ų | 163 | 148.3 Ų | 148.3 | 76% | 0.762 | 72% | 0.719 | S | S | * | * | trans | -76.4 | 175.2 | 155.4 | -128.7 | -168.4 | -132 | 0 | 0 | 110.1 | ||||
| 923 | P | 39.6 | Very low | 29.9 | Very low | 100 Ų | 100 | 150 Ų | 150 | 65% | 0.649 | 73% | 0.727 | S | S | * | * | -161.3 | 169.7 | 56.5 | 43.6 | -21.1 | 0 | 0 | 0 | 121.8 | |||||
| 924 | R | 27.6 | Very low | 30 | Very low | 231 Ų | 231 | 146.3 Ų | 146.3 | 87% | 0.872 | 73% | 0.725 | S | S | * | * | trans | 70 | 153.4 | 142.3 | -80.2 | 169.8 | 174.6 | -176.3 | -4.7 | 123.4 | ||||
| 925 | K | 32.1 | Very low | 30 | Very low | 127 Ų | 127 | 147.6 Ų | 147.6 | 55% | 0.552 | 73% | 0.727 | S | S | * | * | cis | -103 | -99.2 | -4.5 | -173.6 | -170.5 | 140 | -149.5 | 0 | 112.3 | E928 | K925-E928 WeakPolarHBondContact CE-OE1 3.48Å; K925-E928 IonicContact NZ-OE1 3.15Å; K925-E928 PolarHBondContact NZ-OE1 3.35Å; K925-E928 IonicContact NZ-OE2 2.69Å | ||
| 926 | E | 28.9 | Very low | 30.2 | Very low | 152 Ų | 152 | 146.1 Ų | 146.1 | 71% | 0.71 | 72% | 0.72 | S | S | * | * | cis | -169 | 133.3 | -8.8 | -166.3 | 62.3 | -91.6 | 0 | 0 | 107.7 | ||||
| 927 | G | 25 | Very low | 29.8 | Very low | 45 Ų | 45 | 148.9 Ų | 148.9 | 46% | 0.464 | 72% | 0.721 | S | S | . | * | cis | 171.7 | 129.1 | -15.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 928 | E | 33.1 | Very low | 29.9 | Very low | 159 Ų | 159 | 144.7 Ų | 144.7 | 74% | 0.743 | 72% | 0.723 | S | S | * | * | trans | 61.2 | 144.7 | 167.3 | -74.5 | 109.7 | -108.3 | 0 | 0 | 119.2 | K925 | K925-E928 WeakPolarHBondContact CE-OE1 3.48Å; K925-E928 IonicContact NZ-OE1 3.15Å; K925-E928 PolarHBondContact NZ-OE1 3.35Å; K925-E928 IonicContact NZ-OE2 2.69Å | ||
| 929 | E | 32 | Very low | 30 | Very low | 173 Ų | 173 | 143.4 Ų | 143.4 | 81% | 0.808 | 73% | 0.726 | S | S | * | * | cis | -160.5 | 175 | -9.3 | -150.4 | 171.7 | 175.8 | 0 | 0 | 112.1 | ||||
| 930 | E | 27.4 | Very low | 30 | Very low | 165 Ų | 165 | 143.7 Ų | 143.7 | 77% | 0.771 | 73% | 0.727 | S | S | * | * | trans | 61 | 121.2 | 166.5 | -60.1 | -146.4 | 105.4 | 0 | 0 | 121.4 | ||||
| 931 | V | 40.7 | Very low | 30 | Very low | 126 Ų | 126 | 145.3 Ų | 145.3 | 76% | 0.764 | 73% | 0.726 | S | S | * | * | 70.3 | 140.6 | 69.4 | 176.2 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 932 | P | 46.4 | Very low | 30.1 | Very low | 101 Ų | 101 | 144.5 Ų | 144.5 | 66% | 0.656 | 73% | 0.725 | S | S | * | * | cis | -126.8 | 157.8 | 1.3 | 27.3 | -4.7 | 0 | 0 | 0 | 118.7 | ||||
| 933 | E | 31.3 | Very low | 30.1 | Very low | 175 Ų | 175 | 140.4 Ų | 140.4 | 82% | 0.818 | 73% | 0.727 | S | S | * | * | 45.7 | 162.6 | 126.4 | -48.3 | -170.3 | 118.3 | 0 | 0 | 123.9 | |||||
| 934 | T | 27.8 | Very low | 29.5 | Very low | 107 Ų | 107 | 145.5 Ų | 145.5 | 66% | 0.656 | 73% | 0.733 | S | S | * | * | cis | -155 | 160 | 14.6 | -23.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 935 | Q | 26.5 | Very low | 29.5 | Very low | 163 Ų | 163 | 140.6 Ų | 140.6 | 76% | 0.762 | 72% | 0.72 | S | S | * | * | trans | 63.2 | 146 | 156.9 | -89.5 | 175.4 | -77 | 0 | 0 | 120.7 | ||||
| 936 | E | 27.9 | Very low | 29.4 | Very low | 118 Ų | 118 | 145 Ų | 145 | 55% | 0.551 | 73% | 0.733 | S | S | * | * | cis | -159.3 | 156.5 | -10.2 | -151.9 | 177.9 | 148.7 | 0 | 0 | 111.5 | ||||
| 937 | K | 25.2 | Very low | 29.5 | Very low | 169 Ų | 169 | 143.2 Ų | 143.2 | 74% | 0.735 | 74% | 0.737 | S | S | * | * | trans | 36.1 | 144.8 | 158.8 | -76.1 | 163 | -170.1 | 153.9 | 0 | 121.1 | ||||
| 938 | G | 25.9 | Very low | 30 | Very low | 72 Ų | 72 | 151.4 Ų | 151.4 | 74% | 0.742 | 75% | 0.754 | S | S | * | * | cis | 104.2 | 146.1 | 44.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 939 | E | 26.9 | Very low | 30.1 | Very low | 174 Ų | 174 | 155.2 Ų | 155.2 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | cis | -142.6 | 153.2 | 7.6 | -72.3 | 153.9 | 172.3 | 0 | 0 | 106.4 | ||||
| 940 | Q | 24.8 | Very low | 29.9 | Very low | 164 Ų | 164 | 151.7 Ų | 151.7 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | cis | 90.3 | 124.8 | 36.6 | -172.1 | 169.2 | -19 | 0 | 0 | 115.2 | ||||
| 941 | E | 27.6 | Very low | 29.9 | Very low | 165 Ų | 165 | 148.4 Ų | 148.4 | 77% | 0.771 | 76% | 0.763 | S | S | * | * | trans | 64 | 160.3 | 170 | -80.4 | 167.4 | 119.6 | 0 | 0 | 118 | ||||
| 942 | E | 26.9 | Very low | 29.2 | Very low | 186 Ų | 186 | 146.9 Ų | 146.9 | 87% | 0.869 | 76% | 0.764 | S | S | * | * | cis | -134.6 | 167.8 | 6.7 | -150.3 | -162.3 | 129.2 | 0 | 0 | 111.6 | ||||
| 943 | G | 28.4 | Very low | 28.4 | Very low | 76 Ų | 76 | 149.4 Ų | 149.4 | 78% | 0.784 | 78% | 0.777 | S | S | * | * | trans | 141.5 | 49.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 944 | R | 26.8 | Very low | 28.4 | Very low | 207 Ų | 207 | 150.3 Ų | 150.3 | 78% | 0.781 | 78% | 0.778 | S | S | * | * | trans | -89.3 | 154.8 | -171.5 | -154.6 | -172.3 | -155.2 | -114.7 | 17.7 | 113 | ||||
| 945 | E | 29.1 | Very low | 28.7 | Very low | 129 Ų | 129 | 149.2 Ų | 149.2 | 60% | 0.603 | 78% | 0.78 | S | S | * | * | trans | 70 | 160.9 | 162.5 | -126.5 | 92.5 | -160.6 | 0 | 0 | 114.3 | ||||
| 946 | R | 29.3 | Very low | 29.1 | Very low | 220 Ų | 220 | 147.8 Ų | 147.8 | 83% | 0.83 | 78% | 0.783 | S | S | * | * | cis | -153.5 | 155.9 | 7.4 | -163.1 | 162.5 | -146 | -178.7 | 5.4 | 114.3 | ||||
| 947 | S | 31.5 | Very low | 29.3 | Very low | 113 Ų | 113 | 149.9 Ų | 149.9 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | 113.8 | 145 | 144.1 | -150 | 0 | 0 | 0 | 0 | 117 | ||||
| 948 | R | 34.7 | Very low | 29.6 | Very low | 217 Ų | 217 | 146.7 Ų | 146.7 | 82% | 0.819 | 79% | 0.787 | S | S | * | * | trans | -128.8 | 174.5 | -171.6 | -62.4 | 179.2 | -179.7 | -178 | 0.5 | 109.3 | ||||
| 949 | R | 34.4 | Very low | 29.7 | Very low | 239 Ų | 239 | 150.2 Ų | 150.2 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | trans | 76.2 | 158.3 | 165.7 | -41.1 | 177.9 | -170.6 | -124.7 | 5.1 | 113.2 | ||||
| 950 | A | 27.7 | Very low | 29.7 | Very low | 100 Ų | 100 | 149.9 Ų | 149.9 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | cis | -134.2 | 179.6 | 0.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 951 | A | 27.3 | Very low | 29.9 | Very low | 95 Ų | 95 | 145.9 Ų | 145.9 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -117.3 | 166.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 952 | A | 27.3 | Very low | 30 | Very low | 95 Ų | 95 | 143.8 Ų | 143.8 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | 71.2 | 142.8 | 156.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 953 | V | 30 | Very low | 30.4 | Very low | 154 Ų | 154 | 143 Ų | 143 | 93% | 0.933 | 77% | 0.772 | S | S | * | * | -155.8 | 165.9 | 125.9 | 138.1 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 954 | K | 31.2 | Very low | 30.6 | Very low | 193 Ų | 193 | 142 Ų | 142 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | trans | -123.4 | 142.3 | -160.7 | -89.1 | -175.9 | 175.7 | -180 | 0 | 115.3 | ||||
| 955 | A | 33.3 | Very low | 31 | Very low | 84 Ų | 84 | 135.8 Ų | 135.8 | 69% | 0.694 | 75% | 0.749 | S | S | * | * | 75.8 | 162.2 | 128.1 | 0 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 956 | T | 34.4 | Very low | 31 | Very low | 133 Ų | 133 | 133.3 Ų | 133.3 | 82% | 0.816 | 75% | 0.746 | S | S | * | * | trans | 76.9 | 147.9 | 156.5 | 38.2 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 957 | Q | 32.3 | Very low | 31.1 | Very low | 163 Ų | 163 | 129.8 Ų | 129.8 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | cis | -153.3 | 151 | 12 | -139.8 | -176.3 | -5.4 | 0 | 0 | 114.8 | ||||
| 958 | T | 31.3 | Very low | 31.3 | Very low | 102 Ų | 102 | 129.9 Ų | 129.9 | 63% | 0.626 | 74% | 0.739 | S | S | * | * | trans | 31.6 | 151.1 | 147.1 | 49.2 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 959 | L | 27.8 | Very low | 31.2 | Very low | 145 Ų | 145 | 126.4 Ų | 126.4 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | cis | -149.3 | 143.1 | 44.2 | -70 | 159 | 0 | 0 | 0 | 110.5 | ||||
| 960 | Q | 28 | Very low | 31 | Very low | 167 Ų | 167 | 122 Ų | 122 | 78% | 0.78 | 73% | 0.729 | S | S | * | * | 65.7 | 141.3 | 69.5 | -81 | -166.8 | -21.5 | 0 | 0 | 116.2 | |||||
| 961 | A | 29.7 | Very low | 30.9 | Very low | 80 Ų | 80 | 122.6 Ų | 122.6 | 66% | 0.661 | 72% | 0.718 | S | S | * | * | cis | -174.1 | 172.6 | -3.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 962 | N | 29.5 | Very low | 31 | Very low | 121 Ų | 121 | 128.5 Ų | 128.5 | 65% | 0.647 | 72% | 0.72 | S | S | * | * | cis | -169.8 | 157.3 | -22.1 | -102.2 | 27.3 | 0 | 0 | 0 | 111.6 | ||||
| 963 | E | 34.6 | Very low | 30.9 | Very low | 171 Ų | 171 | 128.8 Ų | 128.8 | 80% | 0.799 | 72% | 0.716 | S | S | * | * | trans | 62.1 | 162.4 | 138.5 | -69.3 | 172.9 | 122.2 | 0 | 0 | 123.5 | ||||
| 964 | A | 32.4 | Very low | 30.6 | Very low | 55 Ų | 55 | 129.9 Ų | 129.9 | 46% | 0.455 | 71% | 0.711 | S | S | . | * | cis | -170.8 | 174.5 | -20.8 | 0 | 0 | 0 | 0 | 0 | 113 | P902 | P902-A964 HydrophobicContact CB-CB 4.39Å; P902-A964 VanDerWaalsContact CB-O 3.28Å; P902-A964 WeakPolarHBondContact CB-O 3.32Å; P902-A964 WeakPolarHBondContact CD-O 3.21Å; P902-A964 HydrophobicContact CG-CB 4.1Å; P902-A964 VanDerWaalsContact CG-O 3.24Å; P902-A964 WeakPolarHBondContact CG-O 3.22Å | ||
| 965 | A | 35.3 | Very low | 30.3 | Very low | 75 Ų | 75 | 128 Ų | 128 | 62% | 0.62 | 71% | 0.705 | S | S | * | * | trans | 37.9 | 176.8 | 160.2 | 0 | 0 | 0 | 0 | 0 | 122.1 | P902 | P902-A965 HydrophobicContact CB-CB 3.65Š| ||
| 966 | S | 28.6 | Very low | 30.5 | Very low | 77 Ų | 77 | 128.5 Ų | 128.5 | 54% | 0.538 | 70% | 0.701 | S | S | . | * | cis | -141.7 | 175.5 | 5.8 | -58.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 967 | D | 32 | Very low | 30 | Very low | 147 Ų | 147 | 129.2 Ų | 129.2 | 79% | 0.786 | 70% | 0.7 | S | S | * | * | cis | 82.8 | 141.9 | 21.6 | -127.1 | -11.2 | 0 | 0 | 0 | 115.4 | ||||
| 968 | V | 35.5 | Very low | 29.7 | Very low | 114 Ų | 114 | 125.3 Ų | 125.3 | 69% | 0.691 | 70% | 0.696 | S | S | * | * | cis | -157.3 | 178.1 | 20 | -152.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 969 | L | 32.8 | Very low | 29.9 | Very low | 145 Ų | 145 | 126.5 Ų | 126.5 | 76% | 0.759 | 71% | 0.705 | S | S | * | * | trans | 89.4 | 127.6 | 160.9 | -59.2 | -178.1 | 0 | 0 | 0 | 120.4 | ||||
| 970 | I | 29.7 | Very low | 29.8 | Very low | 145 Ų | 145 | 122.7 Ų | 122.7 | 74% | 0.744 | 70% | 0.701 | S | S | * | * | 99 | 134.8 | 53 | -93.3 | -176 | 0 | 0 | 0 | 112.3 | |||||
| 971 | L | 26.9 | Very low | 30.5 | Very low | 114 Ų | 114 | 120.8 Ų | 120.8 | 60% | 0.597 | 70% | 0.703 | S | S | * | * | cis | -163.7 | 171.7 | 12 | -154.8 | 68.9 | 0 | 0 | 0 | 113.2 | ||||
| 972 | R | 28.4 | Very low | 30.2 | Very low | 219 Ų | 219 | 122 Ų | 122 | 83% | 0.826 | 71% | 0.713 | S | S | * | * | trans | 67.8 | 152.2 | 153.5 | -85.2 | 174.4 | -177.3 | 128.7 | 4 | 119.4 | ||||
| 973 | S | 25.1 | Very low | 30 | Very low | 100 Ų | 100 | 119.5 Ų | 119.5 | 70% | 0.699 | 72% | 0.715 | S | S | * | * | cis | -177.1 | 163.9 | -25 | 47.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 974 | H | 24.8 | Very low | 29.6 | Very low | 178 Ų | 178 | 115.7 Ų | 115.7 | 82% | 0.824 | 71% | 0.713 | S | S | * | * | trans | 102.5 | 141.2 | 148.7 | -145.5 | -83.6 | 0 | 0 | 0 | 119.1 | ||||
| 975 | E | 23.9 | Very low | 29.3 | Very low | 154 Ų | 154 | 121.5 Ų | 121.5 | 72% | 0.72 | 73% | 0.731 | S | S | * | * | trans | -93 | -159.3 | 177.4 | -133.5 | -142 | 113 | 0 | 0 | 108.9 | N977 | E975-N977 PolarHBondContact OE1-N 2.82Š| ||
| 976 | P | 37.5 | Very low | 28.8 | Very low | 94 Ų | 94 | 123.7 Ų | 123.7 | 61% | 0.61 | 74% | 0.737 | S | S | * | * | cis | -142.4 | 173.5 | 13 | 44.2 | -24 | 0 | 0 | 0 | 120.1 | ||||
| 977 | N | 24.1 | Very low | 28.6 | Very low | 147 Ų | 147 | 124.6 Ų | 124.6 | 79% | 0.786 | 74% | 0.743 | S | S | * | * | trans | 86.3 | 160.7 | 137.4 | -116.3 | -41.1 | 0 | 0 | 0 | 123.7 | E975 | E975-N977 PolarHBondContact OE1-N 2.82Š| ||
| 978 | A | 25.1 | Very low | 28.2 | Very low | 82 Ų | 82 | 125.9 Ų | 125.9 | 68% | 0.678 | 74% | 0.744 | S | S | * | * | trans | -106.6 | -162.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 979 | P | 36.8 | Very low | 27.7 | Very low | 127 Ų | 127 | 129.7 Ų | 129.7 | 83% | 0.825 | 75% | 0.752 | S | S | * | * | cis | -134.5 | -166.8 | 1.9 | 41.8 | -21 | 0 | 0 | 0 | 115.6 | ||||
| 980 | G | 24.2 | Very low | 27.7 | Very low | 65 Ų | 65 | 127.8 Ų | 127.8 | 67% | 0.67 | 75% | 0.748 | S | S | * | * | trans | -92.3 | -147.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 981 | P | 42.8 | Very low | 27.5 | Very low | 126 Ų | 126 | 131.7 Ų | 131.7 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | cis | -138.7 | -162.2 | -2.6 | 44.1 | -25.2 | 0 | 0 | 0 | 114.7 | ||||
| 982 | A | 24.2 | Very low | 27.4 | Very low | 106 Ų | 106 | 135.4 Ų | 135.4 | 88% | 0.876 | 77% | 0.768 | S | S | * | * | trans | 68.3 | 160.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 983 | G | 25 | Very low | 27.2 | Very low | 68 Ų | 68 | 128.2 Ų | 128.2 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | cis | 166.7 | 149 | -12.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 984 | A | 25.9 | Very low | 27.8 | Very low | 92 Ų | 92 | 130.2 Ų | 130.2 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | trans | 66.6 | 170.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 985 | Q | 27.3 | Very low | 27.9 | Very low | 177 Ų | 177 | 125 Ų | 125 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | cis | -149.8 | -171.1 | 0 | -145.4 | 166.1 | 112.8 | 0 | 0 | 112.6 | ||||
| 986 | T | 23.9 | Very low | 28.3 | Very low | 121 Ų | 121 | 127.8 Ų | 127.8 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | trans | -65 | -179.1 | -178 | 52 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 987 | S | 24.3 | Very low | 28 | Very low | 95 Ų | 95 | 128.7 Ų | 128.7 | 66% | 0.664 | 79% | 0.786 | S | S | * | * | cis | -166.9 | -166.1 | 28.9 | -166.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 988 | E | 24.3 | Very low | 28.4 | Very low | 174 Ų | 174 | 131.8 Ų | 131.8 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | trans | 105.1 | 154.8 | 154.4 | -57.3 | -62.4 | 75.3 | 0 | 0 | 120.9 | ||||
| 989 | K | 24.5 | Very low | 28.4 | Very low | 194 Ų | 194 | 138.3 Ų | 138.3 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | trans | -132.3 | -176.3 | -170.4 | -110.3 | 173.1 | -176.4 | 168.3 | 0 | 107.3 | ||||
| 990 | P | 33.8 | Very low | 27.9 | Very low | 105 Ų | 105 | 136.4 Ų | 136.4 | 68% | 0.682 | 79% | 0.789 | S | S | * | * | cis | -145.9 | -177 | 26.2 | 41.3 | -18.9 | 0 | 0 | 0 | 118.1 | ||||
| 991 | R | 24 | Very low | 28.3 | Very low | 228 Ų | 228 | 140.9 Ų | 140.9 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | 22.8 | 139.9 | 145.3 | -57.8 | 167.2 | -179.3 | 169.7 | -0 | 119.5 | ||||
| 992 | E | 26.2 | Very low | 28.2 | Very low | 191 Ų | 191 | 140.3 Ų | 140.3 | 89% | 0.893 | 79% | 0.792 | S | S | * | * | -163.4 | -167.1 | 69.1 | -82.9 | -168.2 | 142.5 | 0 | 0 | 113.8 | |||||
| 993 | G | 24.6 | Very low | 28.4 | Very low | 68 Ų | 68 | 144.3 Ų | 144.3 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | trans | -135.8 | -153.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 994 | P | 37.7 | Very low | 28.7 | Very low | 142 Ų | 142 | 147.3 Ų | 147.3 | 92% | 0.922 | 80% | 0.795 | S | S | * | * | cis | -133.2 | -172.2 | -0.9 | 43.2 | -26.2 | 0 | 0 | 0 | 114.6 | ||||
| 995 | G | 27 | Very low | 28.9 | Very low | 70 Ų | 70 | 150.1 Ų | 150.1 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | trans | 177.6 | 153.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 996 | K | 32.3 | Very low | 29 | Very low | 211 Ų | 211 | 149.7 Ų | 149.7 | 92% | 0.917 | 79% | 0.788 | S | S | * | * | trans | -151.2 | 148.8 | -176.5 | -67.7 | -177.5 | -179.5 | 174.8 | 0 | 115.4 | ||||
| 997 | S | 30.6 | Very low | 29.3 | Very low | 114 Ų | 114 | 153.4 Ų | 153.4 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | 74.8 | 160 | 154.3 | -122.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 998 | R | 31.1 | Very low | 29.5 | Very low | 211 Ų | 211 | 157.9 Ų | 157.9 | 80% | 0.796 | 80% | 0.802 | S | S | * | * | cis | -159.6 | 156.2 | 11.4 | -158.6 | 170.9 | -168.2 | -177.2 | 5.4 | 114.3 | ||||
| 999 | R | 25.5 | Very low | 29.7 | Very low | 219 Ų | 219 | 159.3 Ų | 159.3 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | trans | 109.6 | 141.6 | 139.9 | -147.5 | -175.6 | -59.6 | -124.2 | 8.8 | 118.6 | ||||
| 1000 | A | 26.6 | Very low | 30.1 | Very low | 88 Ų | 88 | 155.8 Ų | 155.8 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | -159.1 | 178.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1001 | L | 33.4 | Very low | 30.1 | Very low | 158 Ų | 158 | 160 Ų | 160 | 83% | 0.827 | 81% | 0.812 | S | S | * | * | cis | -129 | -115.1 | -2.1 | -146.7 | 175.9 | 0 | 0 | 0 | 108.3 | ||||
| 1002 | P | 41.1 | Very low | 30.4 | Very low | 114 Ų | 114 | 154.2 Ų | 154.2 | 74% | 0.74 | 81% | 0.814 | S | S | * | * | cis | -122.3 | -148.7 | -9.9 | 45.4 | -27.9 | 0 | 0 | 0 | 113.3 | ||||
| 1003 | F | 27.9 | Very low | 30.5 | Very low | 190 Ų | 190 | 154.1 Ų | 154.1 | 83% | 0.833 | 81% | 0.811 | S | S | * | * | trans | -138.6 | 149.2 | -178 | -149.9 | -134.7 | 0 | 0 | 0 | 106.2 | ||||
| 1004 | T | 31.6 | Very low | 30.9 | Very low | 131 Ų | 131 | 157.2 Ų | 157.2 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | 178.1 | 177.3 | 78.3 | 35.7 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1005 | E | 28.9 | Very low | 30.7 | Very low | 151 Ų | 151 | 159.3 Ų | 159.3 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | trans | -88.5 | 162.1 | -176.5 | -46.6 | 172.8 | 99.8 | 0 | 0 | 117.9 | ||||
| 1006 | K | 29.2 | Very low | 31.3 | Very low | 168 Ų | 168 | 161.5 Ų | 161.5 | 73% | 0.73 | 81% | 0.805 | S | S | * | * | 156.6 | 130 | 106.9 | -98.1 | 163.6 | 178.9 | 80.9 | 0 | 115.8 | |||||
| 1007 | K | 31.2 | Very low | 31.7 | Very low | 199 Ų | 199 | 160.3 Ų | 160.3 | 87% | 0.865 | 80% | 0.802 | S | S | * | * | trans | 44.2 | 161.5 | 150.3 | -80.8 | 177 | 176.5 | 171.3 | 0 | 119.9 | ||||
| 1008 | K | 28.6 | Very low | 32.2 | Very low | 190 Ų | 190 | 160.6 Ų | 160.6 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | cis | -164 | 149.9 | 19.3 | -147.5 | 177.5 | -178.8 | -177.6 | 0 | 109.7 | ||||
| 1009 | K | 27.5 | Very low | 33 | Very low | 204 Ų | 204 | 156.4 Ų | 156.4 | 89% | 0.887 | 79% | 0.785 | S | S | * | * | trans | -164.3 | 171.6 | 153.7 | -106.3 | -154.2 | 175.3 | 177.6 | 0 | 111.6 | ||||
| 1010 | P | 34.2 | Very low | 34.4 | Very low | 119 Ų | 119 | 154.6 Ų | 154.6 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | -106.8 | -171.5 | -140.3 | 43.2 | -40.3 | 0 | 0 | 0 | 117.1 | ||||
| 1011 | E | 32.9 | Very low | 36.2 | Very low | 194 Ų | 194 | 155.1 Ų | 155.1 | 91% | 0.907 | 78% | 0.776 | S | S | * | * | trans | -99.9 | 162.5 | -163.7 | -56.4 | 170 | 110.6 | 0 | 0 | 115.7 | ||||
| 1012 | A | 29.4 | Very low | 38.5 | Very low | 107 Ų | 107 | 149.7 Ų | 149.7 | 88% | 0.884 | 75% | 0.749 | S | S | * | * | trans | -150.2 | 160.1 | 157.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1013 | F | 29.6 | Very low | 40.7 | Very low | 189 Ų | 189 | 147.2 Ų | 147.2 | 83% | 0.829 | 73% | 0.727 | S | S | * | * | trans | -122.2 | 168 | -147 | -160.6 | -122.6 | 0 | 0 | 0 | 115.7 | ||||
| 1014 | N | 32.6 | Very low | 43.7 | Very low | 132 Ų | 132 | 141.4 Ų | 141.4 | 71% | 0.706 | 71% | 0.709 | S | S | * | * | trans | 66.1 | 92.1 | 167.8 | -77.2 | -30.6 | 0 | 0 | 0 | 121.2 | ||||
| 1015 | K | 32.5 | Very low | 46.6 | Very low | 187 Ų | 187 | 135.4 Ų | 135.4 | 81% | 0.813 | 67% | 0.672 | S | S | * | * | trans | -163 | 58.5 | 136 | -152.8 | 166.2 | -173.4 | 170.5 | 0 | 114.8 | Q1019 | K1015-Q1019 PolarHBondContact O-NE2 3.3Š| ||
| 1016 | T | 41.4 | Very low | 49.4 | Very low | 115 Ų | 115 | 137.3 Ų | 137.3 | 71% | 0.706 | 68% | 0.678 | S | S | * | * | trans | -130 | 52.4 | -163 | -32.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1017 | Q | 40 | Very low | 52.2 | Low | 186 Ų | 186 | 134.9 Ų | 134.9 | 87% | 0.869 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -124.9 | 3.4 | 165.3 | -150.1 | -179.2 | 9.3 | 0 | 0 | 114 | ||
| 1018 | N | 40.9 | Very low | 55.1 | Low | 120 Ų | 120 | 128.1 Ų | 128.1 | 64% | 0.642 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -118.9 | 2.6 | 178 | -98.6 | -82.1 | 0 | 0 | 0 | 114.1 | T1022 | N1018-T1022 PolarHBondContact O-OG1 2.94Š|
| 1019 | Q | 48.7 | Very low | 57.9 | Low | 124 Ų | 124 | 121.4 Ų | 121.4 | 58% | 0.579 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -82.9 | -31.6 | -178 | -60.1 | -167.6 | 30.1 | 0 | 0 | 113.1 | K1015 N1021 T1022 | K1015-Q1019 PolarHBondContact O-NE2 3.3Å; Q1019-N1021 PolarHBondContact O-N 3.48Å; Q1019-T1022 VanDerWaalsContact O-CB 3.31Å; Q1019-T1022 WeakPolarHBondContact O-CB 3.45Å; Q1019-T1022 PolarHBondContact O-N 3.28Å; Q1019-T1022 VanDerWaalsContact O-N 3.07Å |
| 1020 | E | 55.2 | Low | 60.9 | Low | 180 Ų | 180 | 119.8 Ų | 119.8 | 84% | 0.841 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -28 | -172.7 | -166.3 | 164.8 | -139.6 | 0 | 0 | 114.1 | T1022 | E1020-T1022 VanDerWaalsContact C-N 3.29Å; E1020-T1022 PolarHBondContact O-N 3.4Å |
| 1021 | N | 63.4 | Low | 63.6 | Low | 100 Ų | 100 | 117.7 Ų | 117.7 | 54% | 0.535 | 60% | 0.602 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.6 | 1.7 | 172.7 | -74.3 | -62.9 | 0 | 0 | 0 | 113.6 | Q1019 F1023 Y1033 | Q1019-N1021 PolarHBondContact O-N 3.48Å; N1021-F1023 WeakPolarHBondContact O-CD2 3.42Å; N1021-F1023 VanDerWaalsContact O-CE2 3.3Å; N1021-F1023 WeakPolarHBondContact O-CE2 3.27Å; N1021-Y1033 CarbonylContact O-C 3.59Å; N1021-Y1033 VanDerWaalsContact O-CA 3.25Å; N1021-Y1033 WeakPolarHBondContact O-CA 3.41Å |
| 1022 | T | 81.3 | Confident | 66.4 | Low | 43 Ų | 43 | 110.4 Ų | 110.4 | 26% | 0.264 | 57% | 0.568 | S | S | . | * | trans | -109 | 103.3 | -164.1 | -70.4 | 0 | 0 | 0 | 0 | 110.7 | N1018 Q1019 E1020 P1024 V1031 | N1018-T1022 PolarHBondContact O-OG1 2.94Å; Q1019-T1022 VanDerWaalsContact O-CB 3.31Å; Q1019-T1022 WeakPolarHBondContact O-CB 3.45Å; Q1019-T1022 PolarHBondContact O-N 3.28Å; Q1019-T1022 VanDerWaalsContact O-N 3.07Å; E1020-T1022 VanDerWaalsContact C-N 3.29Å; E1020-T1022 PolarHBondContact O-N 3.4Å; T1022-P1024 WeakPolarHBondContact O-CD 3.13Å; T1022-V1031 HydrophobicContact CG2-CG1 3.61Å; T1022-V1031 HydrophobicContact CG2-CG2 4.38Å | ||
| 1023 | F | 88.1 | Confident | 69.3 | Low | 63 Ų | 63 | 112.7 Ų | 112.7 | 28% | 0.276 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.6 | 97.9 | -172.3 | -52.5 | -80.1 | 0 | 0 | 0 | 112.2 | N1021 F1032 V1035 R1038 | N1021-F1023 WeakPolarHBondContact O-CD2 3.42Å; N1021-F1023 VanDerWaalsContact O-CE2 3.3Å; N1021-F1023 WeakPolarHBondContact O-CE2 3.27Å; F1023-F1032 WeakPolarHBondContact CB-O 3.3Å; F1023-F1032 WeakPolarHBondContact CD2-O 3.46Å; F1023-F1032 PolarHBondContact N-O 3.44Å; F1023-F1032 PolarHBondContact O-N 2.99Å; F1023-V1035 HydrophobicContact CD1-CG2 3.93Å; F1023-V1035 HydrophobicContact CD2-CG2 4.05Å; F1023-V1035 HydrophobicContact CE1-CG2 3.6Å; F1023-V1035 HydrophobicContact CE2-CG2 3.75Å; F1023-V1035 HydrophobicContact CG-CG2 4.15Å; F1023-V1035 HydrophobicContact CZ-CG2 3.52Å; F1023-R1038 HydrophobicContact CB-CB 4.4Å; F1023-R1038 WeakPolarHBondContact O-CD 3.41Å |
| 1024 | P | 90.9 | Very high | 72.2 | Confident | 68 Ų | 68 | 110.9 Ų | 110.9 | 44% | 0.442 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 140.7 | -178.3 | 30 | -35.7 | 0 | 0 | 0 | 114.1 | T1022 V1031 R1038 | T1022-P1024 WeakPolarHBondContact O-CD 3.13Å; P1024-V1031 HydrophobicContact CB-CG2 4.29Å; P1024-R1038 VanDerWaalsContact O-CZ 3.31Å; P1024-R1038 PolarHBondContact O-NE 3.36Å; P1024-R1038 PolarHBondContact O-NH2 2.9Å |
| 1025 | C | 92 | Very high | 75 | Confident | 5 Ų | 5 | 108.4 Ų | 108.4 | 3% | 0.034 | 54% | 0.536 | C | S | . | . | trans | -70 | 125.3 | 173.6 | 177.8 | 0 | 0 | 0 | 0 | 111.7 | K1027 G1029 R1030 F1032 H1041 M1042 | C1025-K1027 VanDerWaalsContact C-N 3.26Å; C1025-K1027 PolarHBondContact O-N 3.26Å; C1025-K1027 PolarHBondContact SG-N 3.23Å; C1025-K1027 VanDerWaalsContact SG-N 3.38Å; C1025-G1029 WeakPolarHBondContact O-CA 3.45Å; C1025-G1029 PolarHBondContact O-N 3.44Å; C1025-R1030 HydrophobicContact CB-CB 4.36Å; C1025-R1030 WeakPolarHBondContact CB-O 3.43Å; C1025-R1030 PolarHBondContact N-O 3.33Å; C1025-F1032 HydrophobicContact CB-CE2 4.26Å; C1025-H1041 VanDerWaalsContact SG-CD2 3.59Å; C1025-H1041 PolarHBondContact SG-NE2 2.94Å; C1025-M1042 WeakPolarHBondContact SG-CE 3.49Å | ||
| 1026 | K | 88.3 | Confident | 77.7 | Confident | 191 Ų | 191 | 108.1 Ų | 108.1 | 83% | 0.83 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -9.9 | 178.5 | -74.9 | -167.3 | 174.2 | -166.5 | 0 | 114.9 | ||
| 1027 | K | 88.5 | Confident | 80.1 | Confident | 116 Ų | 116 | 105 Ų | 105 | 50% | 0.504 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | -15.9 | -178.6 | -71 | -96.4 | -178.4 | 164.7 | 0 | 114.3 | C1025 M1042 H1045 E1049 | C1025-K1027 VanDerWaalsContact C-N 3.26Å; C1025-K1027 PolarHBondContact O-N 3.26Å; C1025-K1027 PolarHBondContact SG-N 3.23Å; C1025-K1027 VanDerWaalsContact SG-N 3.38Å; K1027-M1042 HydrophobicContact CB-CE 3.84Å; K1027-M1042 HydrophobicContact CG-CE 3.71Å; K1027-H1045 HydrophobicContact CB-CB 4.31Å; K1027-H1045 HydrophobicContact CG-CB 4.4Å; K1027-E1049 WeakPolarHBondContact CE-OE2 3.48Å; K1027-E1049 IonicContact NZ-OE1 3.93Å; K1027-E1049 PolarHBondContact NZ-OE1 3.05Å; K1027-E1049 IonicContact NZ-OE2 2.76Å; K1027-E1049 PolarHBondContact NZ-OE2 2.87Å |
| 1028 | C | 90.5 | Very high | 82.6 | Confident | 57 Ų | 57 | 99.2 Ų | 99.2 | 39% | 0.385 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -151.4 | 17.4 | 176.1 | 71.9 | 0 | 0 | 0 | 0 | 115.3 | R1030 H1041 H1045 | C1028-R1030 PolarHBondContact O-N 2.85Å; C1028-H1041 VanDerWaalsContact SG-CE1 3.53Å; C1028-H1041 PolarHBondContact SG-NE2 3.42Å; C1028-H1045 PolarHBondContact SG-NE2 2.96Å |
| 1029 | G | 87.8 | Confident | 85 | Confident | 50 Ų | 50 | 96.6 Ų | 96.6 | 52% | 0.515 | 48% | 0.479 | S | S | . | . | trans | 72.4 | -25.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | C1025 V1031 | C1025-G1029 WeakPolarHBondContact O-CA 3.45Å; C1025-G1029 PolarHBondContact O-N 3.44Å; G1029-V1031 PolarHBondContact O-N 2.98Å | ||
| 1030 | R | 91.1 | Very high | 87.1 | Confident | 170 Ų | 170 | 93.7 Ų | 93.7 | 64% | 0.642 | 48% | 0.476 | S | S | * | . | trans | -46.6 | 125.5 | -174.8 | -72 | -176.9 | -175.7 | -173.7 | 2 | 112.9 | C1025 C1028 F1032 | C1025-R1030 HydrophobicContact CB-CB 4.36Å; C1025-R1030 WeakPolarHBondContact CB-O 3.43Å; C1025-R1030 PolarHBondContact N-O 3.33Å; C1028-R1030 PolarHBondContact O-N 2.85Å; R1030-F1032 HydrophobicContact CB-CE2 3.78Å; R1030-F1032 HydrophobicContact CB-CZ 4.09Å; R1030-F1032 VanDerWaalsContact O-CD2 3.28Å; R1030-F1032 WeakPolarHBondContact O-CD2 3.38Å; R1030-F1032 WeakPolarHBondContact O-CE2 3.31Å | ||
| 1031 | V | 91.4 | Very high | 89 | Confident | 74 Ų | 74 | 86.4 Ų | 86.4 | 45% | 0.448 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 139.5 | -178 | 164.9 | 0 | 0 | 0 | 0 | 110.9 | T1022 P1024 G1029 | T1022-V1031 HydrophobicContact CG2-CG1 3.61Å; T1022-V1031 HydrophobicContact CG2-CG2 4.38Å; P1024-V1031 HydrophobicContact CB-CG2 4.29Å; G1029-V1031 PolarHBondContact O-N 2.98Å |
| 1032 | F | 91.6 | Very high | 90.4 | Very high | 41 Ų | 41 | 83.8 Ų | 83.8 | 18% | 0.18 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 130.3 | 176.3 | -62.2 | -90.4 | 0 | 0 | 0 | 110.6 | F1023 C1025 R1030 K1034 R1038 H1041 | F1023-F1032 WeakPolarHBondContact CB-O 3.3Å; F1023-F1032 WeakPolarHBondContact CD2-O 3.46Å; F1023-F1032 PolarHBondContact N-O 3.44Å; F1023-F1032 PolarHBondContact O-N 2.99Å; C1025-F1032 HydrophobicContact CB-CE2 4.26Å; R1030-F1032 HydrophobicContact CB-CE2 3.78Å; R1030-F1032 HydrophobicContact CB-CZ 4.09Å; R1030-F1032 VanDerWaalsContact O-CD2 3.28Å; R1030-F1032 WeakPolarHBondContact O-CD2 3.38Å; R1030-F1032 WeakPolarHBondContact O-CE2 3.31Å; F1032-K1034 PolarHBondContact O-N 3.41Å; F1032-R1038 HydrophobicContact CB-CB 3.99Å; F1032-R1038 HydrophobicContact CD2-CB 3.93Å; F1032-R1038 HydrophobicContact CD2-CG 4.26Å; F1032-R1038 HydrophobicContact CG-CB 4.06Å; F1032-H1041 HydrophobicContact CE1-CB 4.05Å; F1032-H1041 HydrophobicContact CE2-CB 4.09Å; F1032-H1041 AromaticContact CE2-CD2 3.22Å; F1032-H1041 WeakPolarHBondContact CE2-CD2 3.45Å; F1032-H1041 AromaticContact CE2-CG 3.76Å; F1032-H1041 AromaticContact CE2-NE2 3.93Å; F1032-H1041 HydrophobicContact CZ-CB 3.55Å; F1032-H1041 AromaticContact CZ-CD2 3.32Å; F1032-H1041 WeakPolarHBondContact CZ-CD2 3.46Å; F1032-H1041 AromaticContact CZ-CG 3.35Å |
| 1033 | Y | 90.1 | Very high | 90.9 | Very high | 155 Ų | 155 | 89.3 Ų | 89.3 | 61% | 0.608 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -76.8 | 5.3 | 178.7 | -61.1 | -70.9 | 0 | 0 | 0 | 115 | N1021 | N1021-Y1033 CarbonylContact O-C 3.59Å; N1021-Y1033 VanDerWaalsContact O-CA 3.25Å; N1021-Y1033 WeakPolarHBondContact O-CA 3.41Å |
| 1034 | K | 90.8 | Very high | 91.1 | Very high | 152 Ų | 152 | 89.1 Ų | 89.1 | 66% | 0.661 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -146.7 | 132.2 | 179.2 | -62.2 | -174.4 | -180 | 177.5 | 0 | 110.1 | F1032 K1036 S1037 R1038 | F1032-K1034 PolarHBondContact O-N 3.41Å; K1034-K1036 PolarHBondContact O-N 2.81Å; K1034-K1036 VanDerWaalsContact O-N 3.13Å; K1034-S1037 PolarHBondContact O-N 3.43Å; K1034-S1037 PolarHBondContact O-OG 3.18Å; K1034-R1038 PolarHBondContact O-N 3.29Å |
| 1035 | V | 89.5 | Confident | 91.2 | Very high | 79 Ų | 79 | 87.2 Ų | 87.2 | 48% | 0.479 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -51.4 | -40.9 | 177.5 | -176.6 | 0 | 0 | 0 | 0 | 111.7 | F1023 S1037 R1038 S1039 | F1023-V1035 HydrophobicContact CD1-CG2 3.93Å; F1023-V1035 HydrophobicContact CD2-CG2 4.05Å; F1023-V1035 HydrophobicContact CE1-CG2 3.6Å; F1023-V1035 HydrophobicContact CE2-CG2 3.75Å; F1023-V1035 HydrophobicContact CG-CG2 4.15Å; F1023-V1035 HydrophobicContact CZ-CG2 3.52Å; V1035-S1037 PolarHBondContact O-N 2.94Å; V1035-R1038 WeakPolarHBondContact O-CB 3.31Å; V1035-R1038 PolarHBondContact O-N 2.9Å; V1035-S1039 PolarHBondContact O-N 3.4Å; V1035-S1039 PolarHBondContact O-OG 3.46Å |
| 1036 | K | 89.8 | Confident | 91.1 | Very high | 181 Ų | 181 | 89.8 Ų | 89.8 | 79% | 0.787 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -65.6 | -35 | -175.1 | -163.4 | 169.1 | -174.6 | 172.4 | 0 | 114 | K1034 A1040 | K1034-K1036 PolarHBondContact O-N 2.81Å; K1034-K1036 VanDerWaalsContact O-N 3.13Å; K1036-A1040 PolarHBondContact O-N 3.07Å; K1036-A1040 VanDerWaalsContact O-N 3.11Å |
| 1037 | S | 91.3 | Very high | 91.2 | Very high | 51 Ų | 51 | 85.7 Ų | 85.7 | 36% | 0.357 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -75.5 | -37.7 | 174.9 | 44.3 | 0 | 0 | 0 | 0 | 111.5 | K1034 V1035 S1039 A1040 H1041 | K1034-S1037 PolarHBondContact O-N 3.43Å; K1034-S1037 PolarHBondContact O-OG 3.18Å; V1035-S1037 PolarHBondContact O-N 2.94Å; S1037-S1039 PolarHBondContact O-N 3.26Å; S1037-A1040 PolarHBondContact O-N 3.14Å; S1037-H1041 WeakPolarHBondContact O-CB 3.39Å; S1037-H1041 PolarHBondContact O-N 3.41Å |
| 1038 | R | 93.1 | Very high | 91.2 | Very high | 63 Ų | 63 | 86 Ų | 86 | 24% | 0.238 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -57.9 | -46.8 | 168.9 | -179 | -179.9 | -176.5 | -93 | 5.1 | 112.2 | F1023 P1024 F1032 K1034 V1035 A1040 H1041 M1042 | F1023-R1038 HydrophobicContact CB-CB 4.4Å; F1023-R1038 WeakPolarHBondContact O-CD 3.41Å; P1024-R1038 VanDerWaalsContact O-CZ 3.31Å; P1024-R1038 PolarHBondContact O-NE 3.36Å; P1024-R1038 PolarHBondContact O-NH2 2.9Å; F1032-R1038 HydrophobicContact CB-CB 3.99Å; F1032-R1038 HydrophobicContact CD2-CB 3.93Å; F1032-R1038 HydrophobicContact CD2-CG 4.26Å; F1032-R1038 HydrophobicContact CG-CB 4.06Å; K1034-R1038 PolarHBondContact O-N 3.29Å; V1035-R1038 WeakPolarHBondContact O-CB 3.31Å; V1035-R1038 PolarHBondContact O-N 2.9Å; R1038-A1040 PolarHBondContact O-N 3.05Å; R1038-H1041 PolarHBondContact O-N 3.43Å; R1038-M1042 HydrophobicContact CG-CG 4.11Å; R1038-M1042 WeakPolarHBondContact O-CB 3.25Å; R1038-M1042 WeakPolarHBondContact O-CG 3.38Å; R1038-M1042 PolarHBondContact O-N 3.22Å |
| 1039 | S | 90.9 | Very high | 91.2 | Very high | 66 Ų | 66 | 88.2 Ų | 88.2 | 46% | 0.462 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.5 | -39 | 179.1 | -65 | 0 | 0 | 0 | 0 | 112.4 | V1035 S1037 K1043 | V1035-S1039 PolarHBondContact O-N 3.4Å; V1035-S1039 PolarHBondContact O-OG 3.46Å; S1037-S1039 PolarHBondContact O-N 3.26Å; S1039-K1043 PolarHBondContact O-N 2.88Å |
| 1040 | A | 93.4 | Very high | 91.4 | Very high | 62 Ų | 62 | 93.8 Ų | 93.8 | 51% | 0.512 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.9 | -47.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | K1036 S1037 R1038 K1043 S1044 | K1036-A1040 PolarHBondContact O-N 3.07Å; K1036-A1040 VanDerWaalsContact O-N 3.11Å; S1037-A1040 PolarHBondContact O-N 3.14Å; R1038-A1040 PolarHBondContact O-N 3.05Å; A1040-K1043 VanDerWaalsContact O-CB 3.3Å; A1040-K1043 WeakPolarHBondContact O-CB 3.45Å; A1040-K1043 PolarHBondContact O-N 2.93Å; A1040-K1043 VanDerWaalsContact O-N 3.17Å; A1040-S1044 PolarHBondContact O-N 3.44Å |
| 1041 | H | 94.2 | Very high | 91.4 | Very high | 27 Ų | 27 | 91.3 Ų | 91.3 | 13% | 0.125 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -65.3 | -37.3 | 177.7 | 166.6 | 63.5 | 0 | 0 | 0 | 113.5 | C1025 C1028 F1032 S1037 R1038 K1043 S1044 H1045 | C1025-H1041 VanDerWaalsContact SG-CD2 3.59Å; C1025-H1041 PolarHBondContact SG-NE2 2.94Å; C1028-H1041 VanDerWaalsContact SG-CE1 3.53Å; C1028-H1041 PolarHBondContact SG-NE2 3.42Å; F1032-H1041 HydrophobicContact CE1-CB 4.05Å; F1032-H1041 HydrophobicContact CE2-CB 4.09Å; F1032-H1041 AromaticContact CE2-CD2 3.22Å; F1032-H1041 WeakPolarHBondContact CE2-CD2 3.45Å; F1032-H1041 AromaticContact CE2-CG 3.76Å; F1032-H1041 AromaticContact CE2-NE2 3.93Å; F1032-H1041 HydrophobicContact CZ-CB 3.55Å; F1032-H1041 AromaticContact CZ-CD2 3.32Å; F1032-H1041 WeakPolarHBondContact CZ-CD2 3.46Å; F1032-H1041 AromaticContact CZ-CG 3.35Å; S1037-H1041 WeakPolarHBondContact O-CB 3.39Å; S1037-H1041 PolarHBondContact O-N 3.41Å; R1038-H1041 PolarHBondContact O-N 3.43Å; H1041-K1043 PolarHBondContact O-N 3.34Å; H1041-S1044 VanDerWaalsContact O-CB 3.31Å; H1041-S1044 WeakPolarHBondContact O-CB 3.49Å; H1041-S1044 PolarHBondContact O-N 3.02Å; H1041-S1044 VanDerWaalsContact O-N 3.09Å; H1041-H1045 AromaticContact CE1-CD2 3.59Å; H1041-H1045 AromaticContact CE1-NE2 3.26Å; H1041-H1045 PolarHBondContact CE1-NE2 3.31Å; H1041-H1045 VanDerWaalsContact CE1-NE2 3.26Å; H1041-H1045 AromaticContact NE2-CD2 3.61Å; H1041-H1045 AromaticContact NE2-NE2 3.36Å; H1041-H1045 PolarHBondContact NE2-NE2 2.88Å; H1041-H1045 PolarHBondContact O-N 3.39Å |
| 1042 | M | 93.9 | Very high | 91.2 | Very high | 45 Ų | 45 | 90.2 Ų | 90.2 | 22% | 0.222 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -65.4 | -28.1 | 174.4 | -68 | -99 | 53.4 | 0 | 0 | 112 | C1025 K1027 R1038 H1045 A1046 | C1025-M1042 WeakPolarHBondContact SG-CE 3.49Å; K1027-M1042 HydrophobicContact CB-CE 3.84Å; K1027-M1042 HydrophobicContact CG-CE 3.71Å; R1038-M1042 HydrophobicContact CG-CG 4.11Å; R1038-M1042 WeakPolarHBondContact O-CB 3.25Å; R1038-M1042 WeakPolarHBondContact O-CG 3.38Å; R1038-M1042 PolarHBondContact O-N 3.22Å; M1042-H1045 HydrophobicContact CE-CB 4.23Å; M1042-H1045 PolarHBondContact O-N 3.1Å; M1042-A1046 PolarHBondContact O-N 3.04Å |
| 1043 | K | 92.6 | Very high | 91.1 | Very high | 159 Ų | 159 | 91.1 Ų | 91.1 | 69% | 0.691 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -67.2 | -35.8 | 171.2 | -162.6 | -178.3 | -179.3 | -172.8 | 0 | 112 | S1039 A1040 H1041 H1045 A1046 E1047 | S1039-K1043 PolarHBondContact O-N 2.88Å; A1040-K1043 VanDerWaalsContact O-CB 3.3Å; A1040-K1043 WeakPolarHBondContact O-CB 3.45Å; A1040-K1043 PolarHBondContact O-N 2.93Å; A1040-K1043 VanDerWaalsContact O-N 3.17Å; H1041-K1043 PolarHBondContact O-N 3.34Å; K1043-H1045 VanDerWaalsContact C-N 3.33Å; K1043-H1045 PolarHBondContact O-N 2.88Å; K1043-A1046 PolarHBondContact O-N 2.9Å; K1043-E1047 PolarHBondContact O-N 2.96Å |
| 1044 | S | 91.7 | Very high | 91 | Very high | 59 Ų | 59 | 86.7 Ų | 86.7 | 41% | 0.413 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.6 | -38.6 | 173.9 | -51 | 0 | 0 | 0 | 0 | 112.4 | A1040 H1041 E1047 Q1048 | A1040-S1044 PolarHBondContact O-N 3.44Å; H1041-S1044 VanDerWaalsContact O-CB 3.31Å; H1041-S1044 WeakPolarHBondContact O-CB 3.49Å; H1041-S1044 PolarHBondContact O-N 3.02Å; H1041-S1044 VanDerWaalsContact O-N 3.09Å; S1044-E1047 PolarHBondContact O-N 2.98Å; S1044-Q1048 WeakPolarHBondContact O-CG 3.45Å; S1044-Q1048 PolarHBondContact O-N 2.97Å |
| 1045 | H | 92.4 | Very high | 90.9 | Very high | 28 Ų | 28 | 85.1 Ų | 85.1 | 13% | 0.13 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 173.5 | -82.5 | -68.4 | 0 | 0 | 0 | 112.3 | K1027 C1028 H1041 M1042 K1043 E1047 Q1048 E1049 | K1027-H1045 HydrophobicContact CB-CB 4.31Å; K1027-H1045 HydrophobicContact CG-CB 4.4Å; C1028-H1045 PolarHBondContact SG-NE2 2.96Å; H1041-H1045 AromaticContact CE1-CD2 3.59Å; H1041-H1045 AromaticContact CE1-NE2 3.26Å; H1041-H1045 PolarHBondContact CE1-NE2 3.31Å; H1041-H1045 VanDerWaalsContact CE1-NE2 3.26Å; H1041-H1045 AromaticContact NE2-CD2 3.61Å; H1041-H1045 AromaticContact NE2-NE2 3.36Å; H1041-H1045 PolarHBondContact NE2-NE2 2.88Å; H1041-H1045 PolarHBondContact O-N 3.39Å; M1042-H1045 HydrophobicContact CE-CB 4.23Å; M1042-H1045 PolarHBondContact O-N 3.1Å; K1043-H1045 VanDerWaalsContact C-N 3.33Å; K1043-H1045 PolarHBondContact O-N 2.88Å; H1045-E1047 PolarHBondContact O-N 3.45Å; H1045-Q1048 PolarHBondContact O-N 3.15Å; H1045-E1049 VanDerWaalsContact O-CB 3.27Å; H1045-E1049 WeakPolarHBondContact O-CB 3.4Å; H1045-E1049 PolarHBondContact O-N 3.31Å |
| 1046 | A | 90.4 | Very high | 90.8 | Very high | 59 Ų | 59 | 89.8 Ų | 89.8 | 49% | 0.488 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.9 | -32.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | M1042 K1043 K1050 | M1042-A1046 PolarHBondContact O-N 3.04Å; K1043-A1046 PolarHBondContact O-N 2.9Å; A1046-K1050 WeakPolarHBondContact O-CB 3.4Å; A1046-K1050 PolarHBondContact O-N 2.87Å |
| 1047 | E | 89.9 | Confident | 90.7 | Very high | 106 Ų | 106 | 86.8 Ų | 86.8 | 50% | 0.495 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -72.6 | -41 | 174.7 | -162.2 | -169.6 | 127.6 | 0 | 0 | 112.6 | K1043 S1044 H1045 K1050 K1051 | K1043-E1047 PolarHBondContact O-N 2.96Å; S1044-E1047 PolarHBondContact O-N 2.98Å; H1045-E1047 PolarHBondContact O-N 3.45Å; E1047-K1050 PolarHBondContact O-N 3.28Å; E1047-K1051 HydrophobicContact CG-CD 4.5Å; E1047-K1051 WeakPolarHBondContact O-CB 3.47Å; E1047-K1051 WeakPolarHBondContact O-CG 3.44Å; E1047-K1051 PolarHBondContact O-N 2.96Å; E1047-K1051 WeakPolarHBondContact OE1-CE 3.47Å; E1047-K1051 IonicContact OE1-NZ 2.82Å; E1047-K1051 PolarHBondContact OE1-NZ 2.79Å |
| 1048 | Q | 88.3 | Confident | 90.6 | Very high | 122 Ų | 122 | 91.2 Ų | 91.2 | 57% | 0.57 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.1 | -43 | 173.2 | -74.5 | 176.4 | -36.6 | 0 | 0 | 111.7 | S1044 H1045 K1051 A1052 | S1044-Q1048 WeakPolarHBondContact O-CG 3.45Å; S1044-Q1048 PolarHBondContact O-N 2.97Å; H1045-Q1048 PolarHBondContact O-N 3.15Å; Q1048-K1051 PolarHBondContact O-N 3.07Å; Q1048-A1052 WeakPolarHBondContact O-CB 3.33Å; Q1048-A1052 PolarHBondContact O-N 3.33Å |
| 1049 | E | 90.5 | Very high | 90.4 | Very high | 104 Ų | 104 | 94.5 Ų | 94.5 | 49% | 0.486 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.2 | -40.6 | 178.1 | -166.5 | 161 | -176.8 | 0 | 0 | 111.2 | K1027 H1045 A1052 A1053 | K1027-E1049 WeakPolarHBondContact CE-OE2 3.48Å; K1027-E1049 IonicContact NZ-OE1 3.93Å; K1027-E1049 PolarHBondContact NZ-OE1 3.05Å; K1027-E1049 IonicContact NZ-OE2 2.76Å; K1027-E1049 PolarHBondContact NZ-OE2 2.87Å; H1045-E1049 VanDerWaalsContact O-CB 3.27Å; H1045-E1049 WeakPolarHBondContact O-CB 3.4Å; H1045-E1049 PolarHBondContact O-N 3.31Å; E1049-A1052 PolarHBondContact O-N 2.72Å; E1049-A1053 WeakPolarHBondContact O-CB 3.37Å; E1049-A1053 PolarHBondContact O-N 3.27Å |
| 1050 | K | 91.8 | Very high | 90.2 | Very high | 166 Ų | 166 | 99 Ų | 99 | 72% | 0.722 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.4 | -38.2 | 171.1 | -173.9 | 170.9 | -178 | 174.5 | 0 | 113 | A1046 E1047 A1054 | A1046-K1050 WeakPolarHBondContact O-CB 3.4Å; A1046-K1050 PolarHBondContact O-N 2.87Å; E1047-K1050 PolarHBondContact O-N 3.28Å; K1050-A1054 PolarHBondContact O-N 3.37Å; K1050-A1054 VanDerWaalsContact O-N 3.08Å |
| 1051 | K | 90.8 | Very high | 89.9 | Confident | 119 Ų | 119 | 101.8 Ų | 101.8 | 52% | 0.517 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68 | -41.7 | 176 | -77.3 | 167.6 | 170.4 | 171.3 | 0 | 111.9 | E1047 Q1048 A1054 L1055 | E1047-K1051 HydrophobicContact CG-CD 4.5Å; E1047-K1051 WeakPolarHBondContact O-CB 3.47Å; E1047-K1051 WeakPolarHBondContact O-CG 3.44Å; E1047-K1051 PolarHBondContact O-N 2.96Å; E1047-K1051 WeakPolarHBondContact OE1-CE 3.47Å; E1047-K1051 IonicContact OE1-NZ 2.82Å; E1047-K1051 PolarHBondContact OE1-NZ 2.79Å; Q1048-K1051 PolarHBondContact O-N 3.07Å; K1051-A1054 PolarHBondContact O-N 2.87Å; K1051-L1055 WeakPolarHBondContact O-CG 3.3Å; K1051-L1055 PolarHBondContact O-N 3.35Å |
| 1052 | A | 87.8 | Confident | 89.4 | Confident | 50 Ų | 50 | 103.2 Ų | 103.2 | 41% | 0.413 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65 | -38.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q1048 E1049 L1055 R1056 | Q1048-A1052 WeakPolarHBondContact O-CB 3.33Å; Q1048-A1052 PolarHBondContact O-N 3.33Å; E1049-A1052 PolarHBondContact O-N 2.72Å; A1052-L1055 PolarHBondContact O-N 2.88Å; A1052-R1056 PolarHBondContact O-N 2.86Å |
| 1053 | A | 88.8 | Confident | 88.9 | Confident | 60 Ų | 60 | 103.4 Ų | 103.4 | 50% | 0.496 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.2 | -42.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E1049 R1056 L1057 | E1049-A1053 WeakPolarHBondContact O-CB 3.37Å; E1049-A1053 PolarHBondContact O-N 3.27Å; A1053-R1056 PolarHBondContact O-N 3.21Å; A1053-L1057 PolarHBondContact O-N 2.98Å |
| 1054 | A | 89.3 | Confident | 88.5 | Confident | 62 Ų | 62 | 98.5 Ų | 98.5 | 51% | 0.512 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.4 | -39.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | K1050 K1051 L1057 K1058 | K1050-A1054 PolarHBondContact O-N 3.37Å; K1050-A1054 VanDerWaalsContact O-N 3.08Å; K1051-A1054 PolarHBondContact O-N 2.87Å; A1054-L1057 PolarHBondContact O-N 3.39Å; A1054-K1058 PolarHBondContact O-N 3.5Å; A1054-K1058 VanDerWaalsContact O-N 3.1Å |
| 1055 | L | 88.3 | Confident | 88 | Confident | 119 Ų | 119 | 100.3 Ų | 100.3 | 62% | 0.623 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.3 | -46.6 | 174.3 | -74.7 | 170.9 | 0 | 0 | 0 | 111.7 | K1051 A1052 L1057 K1058 E1059 | K1051-L1055 WeakPolarHBondContact O-CG 3.3Å; K1051-L1055 PolarHBondContact O-N 3.35Å; A1052-L1055 PolarHBondContact O-N 2.88Å; L1055-L1057 PolarHBondContact O-N 3.07Å; L1055-K1058 PolarHBondContact O-N 3.06Å; L1055-E1059 VanDerWaalsContact O-CB 3.3Å; L1055-E1059 WeakPolarHBondContact O-CB 3.43Å; L1055-E1059 PolarHBondContact O-N 2.81Å |
| 1056 | R | 87.6 | Confident | 87.4 | Confident | 178 Ų | 178 | 104.6 Ų | 104.6 | 67% | 0.672 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.5 | -28.2 | 175.9 | -79 | -179.4 | 169.4 | 179.6 | -3.7 | 113.9 | A1052 A1053 K1060 | A1052-R1056 PolarHBondContact O-N 2.86Å; A1053-R1056 PolarHBondContact O-N 3.21Å; R1056-K1060 VanDerWaalsContact O-CG 3.31Å; R1056-K1060 WeakPolarHBondContact O-CG 3.48Å; R1056-K1060 PolarHBondContact O-N 3.3Å; R1056-K1060 VanDerWaalsContact O-N 3.14Å |
| 1057 | L | 87.8 | Confident | 86.6 | Confident | 118 Ų | 118 | 108 Ų | 108 | 62% | 0.618 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -71.1 | -47.9 | 173.8 | -162.7 | 156.8 | 0 | 0 | 0 | 110.2 | A1053 A1054 L1055 E1059 K1060 E1061 | A1053-L1057 PolarHBondContact O-N 2.98Å; A1054-L1057 PolarHBondContact O-N 3.39Å; L1055-L1057 PolarHBondContact O-N 3.07Å; L1057-E1059 VanDerWaalsContact C-N 3.31Å; L1057-E1059 PolarHBondContact O-N 3.38Å; L1057-K1060 PolarHBondContact O-N 2.7Å; L1057-E1061 WeakPolarHBondContact O-CB 3.45Å; L1057-E1061 PolarHBondContact O-N 2.78Å |
| 1058 | K | 88.7 | Confident | 85.9 | Confident | 144 Ų | 144 | 108.4 Ų | 108.4 | 63% | 0.626 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.7 | -34.5 | 175.4 | -168.5 | -175.1 | 177.8 | -168.3 | 0 | 113 | A1054 L1055 E1061 A1062 | A1054-K1058 PolarHBondContact O-N 3.5Å; A1054-K1058 VanDerWaalsContact O-N 3.1Å; L1055-K1058 PolarHBondContact O-N 3.06Å; K1058-E1061 PolarHBondContact O-N 2.92Å; K1058-A1062 WeakPolarHBondContact O-CB 3.32Å; K1058-A1062 PolarHBondContact O-N 2.75Å |
| 1059 | E | 89.4 | Confident | 85.2 | Confident | 131 Ų | 131 | 104.6 Ų | 104.6 | 61% | 0.612 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66 | -42.3 | 175.5 | -176 | 179 | -160.4 | 0 | 0 | 111.3 | L1055 L1057 A1062 A1063 | L1055-E1059 VanDerWaalsContact O-CB 3.3Å; L1055-E1059 WeakPolarHBondContact O-CB 3.43Å; L1055-E1059 PolarHBondContact O-N 2.81Å; L1057-E1059 VanDerWaalsContact C-N 3.31Å; L1057-E1059 PolarHBondContact O-N 3.38Å; E1059-A1062 PolarHBondContact O-N 2.97Å; E1059-A1063 VanDerWaalsContact O-CB 3.31Å; E1059-A1063 WeakPolarHBondContact O-CB 3.5Å; E1059-A1063 PolarHBondContact O-N 3.43Å |
| 1060 | K | 87.6 | Confident | 84.4 | Confident | 160 Ų | 160 | 103.6 Ų | 103.6 | 70% | 0.696 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -66 | -39.4 | 172.1 | -75.7 | 179.8 | 173.8 | -160.7 | 0 | 112.9 | R1056 L1057 A1063 A1064 | R1056-K1060 VanDerWaalsContact O-CG 3.31Å; R1056-K1060 WeakPolarHBondContact O-CG 3.48Å; R1056-K1060 PolarHBondContact O-N 3.3Å; R1056-K1060 VanDerWaalsContact O-N 3.14Å; L1057-K1060 PolarHBondContact O-N 2.7Å; K1060-A1063 PolarHBondContact O-N 3.49Å; K1060-A1064 WeakPolarHBondContact O-CB 3.37Å; K1060-A1064 PolarHBondContact O-N 3.29Å |
| 1061 | E | 86.3 | Confident | 83.1 | Confident | 121 Ų | 121 | 104.9 Ų | 104.9 | 57% | 0.565 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -60.9 | -47.4 | 174.5 | -171.9 | -178.5 | 179.2 | 0 | 0 | 110.8 | L1057 K1058 A1064 V1065 | L1057-E1061 WeakPolarHBondContact O-CB 3.45Å; L1057-E1061 PolarHBondContact O-N 2.78Å; K1058-E1061 PolarHBondContact O-N 2.92Å; E1061-A1064 PolarHBondContact O-N 3.18Å; E1061-V1065 WeakPolarHBondContact O-CG2 3.36Å; E1061-V1065 PolarHBondContact O-N 3.28Å |
| 1062 | A | 84.3 | Confident | 81.8 | Confident | 58 Ų | 58 | 104.7 Ų | 104.7 | 48% | 0.479 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.2 | -39.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | K1058 E1059 V1065 H1066 | K1058-A1062 WeakPolarHBondContact O-CB 3.32Å; K1058-A1062 PolarHBondContact O-N 2.75Å; E1059-A1062 PolarHBondContact O-N 2.97Å; A1062-V1065 PolarHBondContact O-N 3.37Å; A1062-H1066 WeakPolarHBondContact O-CB 3.33Å; A1062-H1066 PolarHBondContact O-N 3.25Å |
| 1063 | A | 83.6 | Confident | 80.6 | Confident | 48 Ų | 48 | 109.1 Ų | 109.1 | 40% | 0.397 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.8 | -36.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | E1059 K1060 H1066 Q1067 | E1059-A1063 VanDerWaalsContact O-CB 3.31Å; E1059-A1063 WeakPolarHBondContact O-CB 3.5Å; E1059-A1063 PolarHBondContact O-N 3.43Å; K1060-A1063 PolarHBondContact O-N 3.49Å; A1063-H1066 PolarHBondContact O-N 3.42Å; A1063-Q1067 WeakPolarHBondContact O-CB 3.49Å; A1063-Q1067 WeakPolarHBondContact O-CG 3.42Å; A1063-Q1067 PolarHBondContact O-N 3.32Å |
| 1064 | A | 82.8 | Confident | 79.2 | Confident | 56 Ų | 56 | 110.4 Ų | 110.4 | 46% | 0.463 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.9 | -46 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | K1060 E1061 H1066 Q1067 Q1068 | K1060-A1064 WeakPolarHBondContact O-CB 3.37Å; K1060-A1064 PolarHBondContact O-N 3.29Å; E1061-A1064 PolarHBondContact O-N 3.18Å; A1064-H1066 VanDerWaalsContact C-N 3.33Å; A1064-H1066 PolarHBondContact O-N 3.15Å; A1064-Q1067 PolarHBondContact O-N 2.9Å; A1064-Q1068 WeakPolarHBondContact O-CB 3.33Å; A1064-Q1068 PolarHBondContact O-N 3.43Å |
| 1065 | V | 81.5 | Confident | 77.6 | Confident | 97 Ų | 97 | 110 Ų | 110 | 59% | 0.588 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -60.6 | -40.9 | 174.7 | 172 | 0 | 0 | 0 | 0 | 111.5 | E1061 A1062 Q1068 A1069 | E1061-V1065 WeakPolarHBondContact O-CG2 3.36Å; E1061-V1065 PolarHBondContact O-N 3.28Å; A1062-V1065 PolarHBondContact O-N 3.37Å; V1065-Q1068 PolarHBondContact O-N 3.32Å; V1065-A1069 PolarHBondContact O-N 2.79Å |
| 1066 | H | 79.3 | Confident | 75.8 | Confident | 118 Ų | 118 | 112.2 Ų | 112.2 | 55% | 0.546 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -68.7 | -38.2 | 177.2 | -173.9 | 35.1 | 0 | 0 | 0 | 112.8 | A1062 A1063 A1064 Q1068 A1069 L1070 | A1062-H1066 WeakPolarHBondContact O-CB 3.33Å; A1062-H1066 PolarHBondContact O-N 3.25Å; A1063-H1066 PolarHBondContact O-N 3.42Å; A1064-H1066 VanDerWaalsContact C-N 3.33Å; A1064-H1066 PolarHBondContact O-N 3.15Å; H1066-Q1068 VanDerWaalsContact C-N 3.3Å; H1066-Q1068 PolarHBondContact O-N 3.42Å; H1066-A1069 PolarHBondContact O-N 2.62Å; H1066-L1070 WeakPolarHBondContact O-CB 3.33Å; H1066-L1070 WeakPolarHBondContact O-CG 3.19Å; H1066-L1070 PolarHBondContact O-N 2.91Å |
| 1067 | Q | 75.2 | Confident | 74.2 | Confident | 131 Ų | 131 | 107.2 Ų | 107.2 | 61% | 0.612 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -68.6 | -27.6 | 172.9 | -75.6 | -176.9 | -0.1 | 0 | 0 | 113.1 | A1063 A1064 R1071 | A1063-Q1067 WeakPolarHBondContact O-CB 3.49Å; A1063-Q1067 WeakPolarHBondContact O-CG 3.42Å; A1063-Q1067 PolarHBondContact O-N 3.32Å; A1064-Q1067 PolarHBondContact O-N 2.9Å; Q1067-R1071 WeakPolarHBondContact O-CG 3.34Å; Q1067-R1071 PolarHBondContact O-N 3.38Å |
| 1068 | Q | 74.4 | Confident | 72.5 | Confident | 114 Ų | 114 | 110.4 Ų | 110.4 | 53% | 0.533 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -71.6 | -48.4 | 171.7 | -179 | 170.6 | -13.1 | 0 | 0 | 110.8 | A1064 V1065 H1066 L1070 R1071 E1072 | A1064-Q1068 WeakPolarHBondContact O-CB 3.33Å; A1064-Q1068 PolarHBondContact O-N 3.43Å; V1065-Q1068 PolarHBondContact O-N 3.32Å; H1066-Q1068 VanDerWaalsContact C-N 3.3Å; H1066-Q1068 PolarHBondContact O-N 3.42Å; Q1068-L1070 VanDerWaalsContact C-N 3.35Å; Q1068-L1070 PolarHBondContact O-N 3.09Å; Q1068-R1071 WeakPolarHBondContact O-CA 3.13Å; Q1068-R1071 WeakPolarHBondContact O-CB 3.06Å; Q1068-R1071 PolarHBondContact O-N 3.46Å; Q1068-E1072 VanDerWaalsContact CG-OE1 3.25Å; Q1068-E1072 WeakPolarHBondContact CG-OE1 3.48Å; Q1068-E1072 PolarHBondContact NE2-OE1 3.35Å; Q1068-E1072 WeakPolarHBondContact O-CG 3.27Å; Q1068-E1072 PolarHBondContact O-N 3.48Å |
| 1069 | A | 73.6 | Confident | 70.7 | Confident | 43 Ų | 43 | 113.2 Ų | 113.2 | 36% | 0.355 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -58.2 | -42.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V1065 H1066 R1071 E1072 E1073 | V1065-A1069 PolarHBondContact O-N 2.79Å; H1066-A1069 PolarHBondContact O-N 2.62Å; A1069-R1071 VanDerWaalsContact C-N 3.26Å; A1069-R1071 PolarHBondContact O-N 3.49Å; A1069-E1072 PolarHBondContact O-N 2.89Å; A1069-E1073 WeakPolarHBondContact O-CB 3.41Å; A1069-E1073 PolarHBondContact O-N 3.14Å |
| 1070 | L | 72.8 | Confident | 68.5 | Low | 83 Ų | 83 | 114.2 Ų | 114.2 | 44% | 0.435 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -65.7 | -26 | 175.7 | -73.6 | 170.3 | 0 | 0 | 0 | 113.3 | H1066 Q1068 S1074 | H1066-L1070 WeakPolarHBondContact O-CB 3.33Å; H1066-L1070 WeakPolarHBondContact O-CG 3.19Å; H1066-L1070 PolarHBondContact O-N 2.91Å; Q1068-L1070 VanDerWaalsContact C-N 3.35Å; Q1068-L1070 PolarHBondContact O-N 3.09Å; L1070-S1074 WeakPolarHBondContact O-CB 3.09Å; L1070-S1074 PolarHBondContact O-N 3.5Å; L1070-S1074 VanDerWaalsContact O-N 3.15Å; L1070-S1074 PolarHBondContact O-OG 3.36Å |
| 1071 | R | 65.9 | Low | 67.5 | Low | 193 Ų | 193 | 111.9 Ų | 111.9 | 73% | 0.728 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -75.3 | -40.9 | 172.4 | -79.8 | 170.5 | 169.6 | -91 | -2.8 | 111.5 | Q1067 Q1068 A1069 S1074 G1075 | Q1067-R1071 WeakPolarHBondContact O-CG 3.34Å; Q1067-R1071 PolarHBondContact O-N 3.38Å; Q1068-R1071 WeakPolarHBondContact O-CA 3.13Å; Q1068-R1071 WeakPolarHBondContact O-CB 3.06Å; Q1068-R1071 PolarHBondContact O-N 3.46Å; A1069-R1071 VanDerWaalsContact C-N 3.26Å; A1069-R1071 PolarHBondContact O-N 3.49Å; R1071-S1074 WeakPolarHBondContact CA-OG 3.31Å; R1071-S1074 PolarHBondContact O-N 2.95Å; R1071-S1074 PolarHBondContact O-OG 3.35Å; R1071-G1075 PolarHBondContact O-N 3.36Å |
| 1072 | E | 64.2 | Low | 66.5 | Low | 114 Ų | 114 | 111.4 Ų | 111.4 | 53% | 0.533 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -62.8 | -48.5 | 175.9 | -70.3 | 162.1 | -174.4 | 0 | 0 | 110.3 | Q1068 A1069 S1074 G1075 | Q1068-E1072 VanDerWaalsContact CG-OE1 3.25Å; Q1068-E1072 WeakPolarHBondContact CG-OE1 3.48Å; Q1068-E1072 PolarHBondContact NE2-OE1 3.35Å; Q1068-E1072 WeakPolarHBondContact O-CG 3.27Å; Q1068-E1072 PolarHBondContact O-N 3.48Å; A1069-E1072 PolarHBondContact O-N 2.89Å; E1072-S1074 VanDerWaalsContact C-N 3.35Å; E1072-S1074 PolarHBondContact O-N 3.01Å; E1072-G1075 PolarHBondContact O-N 3.44Å |
| 1073 | E | 62 | Low | 65.5 | Low | 143 Ų | 143 | 114.4 Ų | 114.4 | 67% | 0.668 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -62.3 | -36.8 | 175.9 | -166.4 | 174.4 | -158.5 | 0 | 0 | 112.6 | A1069 G1075 | A1069-E1073 WeakPolarHBondContact O-CB 3.41Å; A1069-E1073 PolarHBondContact O-N 3.14Å; E1073-G1075 PolarHBondContact O-N 3.46Å |
| 1074 | S | 59.4 | Low | 64.5 | Low | 88 Ų | 88 | 118.3 Ų | 118.3 | 62% | 0.615 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -70 | -15.2 | 173.1 | 72 | 0 | 0 | 0 | 0 | 114.4 | L1070 R1071 E1072 | L1070-S1074 WeakPolarHBondContact O-CB 3.09Å; L1070-S1074 PolarHBondContact O-N 3.5Å; L1070-S1074 VanDerWaalsContact O-N 3.15Å; L1070-S1074 PolarHBondContact O-OG 3.36Å; R1071-S1074 WeakPolarHBondContact CA-OG 3.31Å; R1071-S1074 PolarHBondContact O-N 2.95Å; R1071-S1074 PolarHBondContact O-OG 3.35Å; E1072-S1074 VanDerWaalsContact C-N 3.35Å; E1072-S1074 PolarHBondContact O-N 3.01Å |
| 1075 | G | 55.2 | Low | 63.3 | Low | 52 Ų | 52 | 122.2 Ų | 122.2 | 54% | 0.536 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -86.3 | -20.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | R1071 E1072 E1073 G1077 | R1071-G1075 PolarHBondContact O-N 3.36Å; E1072-G1075 PolarHBondContact O-N 3.44Å; E1073-G1075 PolarHBondContact O-N 3.46Å; G1075-G1077 VanDerWaalsContact C-N 3.34Å |
| 1076 | E | 51.5 | Low | 62.1 | Low | 166 Ų | 166 | 123.9 Ų | 123.9 | 78% | 0.776 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -82.8 | -12.4 | -179.8 | -60.6 | -164.3 | 128.7 | 0 | 0 | 112.9 | E1078 | E1076-E1078 PolarHBondContact O-N 3.49Š|
| 1077 | G | 53.2 | Low | 60.9 | Low | 73 Ų | 73 | 124.3 Ų | 124.3 | 75% | 0.753 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -76.5 | -8.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | G1075 | G1075-G1077 VanDerWaalsContact C-N 3.34Š|
| 1078 | E | 52.6 | Low | 59.8 | Low | 186 Ų | 186 | 123.8 Ų | 123.8 | 87% | 0.869 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -110.1 | 24.7 | -176.8 | -146.8 | -178 | 133.2 | 0 | 0 | 113.3 | E1076 | E1076-E1078 PolarHBondContact O-N 3.49Š|
| 1079 | K | 51.3 | Low | 58.6 | Low | 203 Ų | 203 | 124.6 Ų | 124.6 | 88% | 0.883 | 73% | 0.726 | S | S | * | * | trans | -140.9 | 67.1 | 169.9 | -72.1 | -167.7 | 177 | 178.9 | 0 | 112.5 | ||||
| 1080 | G | 41.2 | Very low | 57.2 | Low | 151 Ų | 151 | 132 Ų | 132 | 100% | 1.557 | 76% | 0.759 | S | S | * | * | trans | -134.3 | 0 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.6 |
Retrieved 1,080 of 1,080 residues in 290 ms
(Link to these results)