| 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 | 44.1 | Very low | 46.2 | Very low | 226 Ų | 226 | 143.3 Ų | 143.3 | 100% | 1.113 | 79% | 0.794 | S | S | * | * | 0 | 97.3 | 0 | -67.7 | 155.3 | 178.5 | 0 | 0 | 105 | |||||
| 2 | E | 38.8 | Very low | 46.7 | Very low | 176 Ų | 176 | 145.3 Ų | 145.3 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | 83.5 | 138.7 | 95.3 | -73.9 | -174.1 | 177.5 | 0 | 0 | 111.9 | |||||
| 3 | L | 43.1 | Very low | 46.4 | Very low | 131 Ų | 131 | 145.5 Ų | 145.5 | 69% | 0.686 | 79% | 0.794 | S | S | * | * | cis | -160.3 | 138.4 | -15.2 | -116.4 | 168.7 | 0 | 0 | 0 | 109.3 | ||||
| 4 | N | 45.4 | Very low | 46.4 | Very low | 135 Ų | 135 | 148.9 Ų | 148.9 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | trans | 18.5 | 125.5 | 153.4 | -58.5 | -11.5 | 0 | 0 | 0 | 121.8 | V6 | N4-V6 HydrophobicContact CB-CG2 4.26Š| ||
| 5 | G | 57.7 | Low | 46.5 | Very low | 87 Ų | 87 | 147.1 Ų | 147.1 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | trans | -104.8 | 120.1 | 147.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 6 | V | 46.7 | Very low | 46.8 | Very low | 102 Ų | 102 | 145.2 Ų | 145.2 | 62% | 0.618 | 80% | 0.795 | S | S | * | * | trans | -109.1 | 135.5 | -176.6 | 179.5 | 0 | 0 | 0 | 0 | 110.5 | N4 | N4-V6 HydrophobicContact CB-CG2 4.26Š| ||
| 7 | H | 53.6 | Low | 47 | Very low | 194 Ų | 194 | 146.9 Ų | 146.9 | 90% | 0.898 | 80% | 0.803 | S | S | * | * | trans | -146.1 | 126.5 | 148.3 | -117.1 | 63.3 | 0 | 0 | 0 | 111.7 | ||||
| 8 | S | 43.7 | Very low | 46.7 | Very low | 88 Ų | 88 | 142.8 Ų | 142.8 | 62% | 0.615 | 80% | 0.8 | S | S | * | * | trans | -115.9 | 140.2 | -175.2 | -47.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 9 | Q | 51.8 | Low | 46.4 | Very low | 195 Ų | 195 | 141.1 Ų | 141.1 | 91% | 0.911 | 80% | 0.798 | S | S | * | * | trans | -142.7 | 103.8 | 147.3 | -73.4 | -159 | -7 | 0 | 0 | 111.1 | ||||
| 10 | S | 41.9 | Very low | 46.3 | Very low | 103 Ų | 103 | 142.1 Ų | 142.1 | 72% | 0.72 | 80% | 0.801 | S | S | * | * | trans | -69.7 | 173.7 | 149.8 | 52.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 11 | L | 41.5 | Very low | 46.1 | Very low | 139 Ų | 139 | 139.7 Ų | 139.7 | 73% | 0.728 | 79% | 0.793 | S | S | * | * | cis | -166.7 | 153.7 | -0.5 | -123.1 | 161.8 | 0 | 0 | 0 | 104.6 | ||||
| 12 | D | 51.9 | Low | 46.2 | Very low | 167 Ų | 167 | 134.7 Ų | 134.7 | 89% | 0.893 | 78% | 0.776 | S | S | * | * | -178.3 | 155.4 | 123.8 | -102.7 | -18.3 | 0 | 0 | 0 | 113.6 | |||||
| 13 | E | 42.8 | Very low | 46.3 | Very low | 149 Ų | 149 | 130.5 Ų | 130.5 | 70% | 0.696 | 78% | 0.779 | S | S | * | * | trans | -129.9 | 131.8 | -159.7 | 177.1 | -175.3 | -178.9 | 0 | 0 | 110.6 | ||||
| 14 | Q | 46.6 | Very low | 46.6 | Very low | 192 Ų | 192 | 129.9 Ų | 129.9 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | trans | -162.1 | 97.9 | 155.6 | -117.1 | 158.1 | 98.1 | 0 | 0 | 114.9 | ||||
| 15 | V | 47.4 | Very low | 46.5 | Very low | 122 Ų | 122 | 126.8 Ų | 126.8 | 74% | 0.739 | 79% | 0.786 | S | S | * | * | trans | 25.4 | 134.7 | 134 | -171.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 16 | P | 51.8 | Low | 45.7 | Very low | 117 Ų | 117 | 129 Ų | 129 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | trans | -95.6 | 159.2 | -167.7 | 38.6 | -36.9 | 0 | 0 | 0 | 115.6 | ||||
| 17 | N | 50.3 | Low | 45.7 | Very low | 175 Ų | 175 | 128.5 Ų | 128.5 | 94% | 0.936 | 79% | 0.794 | S | S | * | * | trans | -122.8 | 140.9 | 156.2 | -86.4 | -54.8 | 0 | 0 | 0 | 108.9 | ||||
| 18 | G | 41.3 | Very low | 45.2 | Very low | 73 Ų | 73 | 125.9 Ų | 125.9 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | trans | -124.7 | -163.5 | -169.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 19 | S | 42.2 | Very low | 45.3 | Very low | 109 Ų | 109 | 130.3 Ų | 130.3 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | trans | 87.2 | 140.7 | 169.4 | -148 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 20 | L | 44.3 | Very low | 44.8 | Very low | 161 Ų | 161 | 128 Ų | 128 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | trans | 69.4 | 142.5 | 172 | -49.6 | 176.1 | 0 | 0 | 0 | 116.2 | ||||
| 21 | S | 41.8 | Very low | 45.3 | Very low | 93 Ų | 93 | 129.3 Ų | 129.3 | 65% | 0.65 | 80% | 0.803 | S | S | * | * | cis | -165.4 | 168.7 | -24.8 | -163.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 22 | T | 45.2 | Very low | 45.4 | Very low | 121 Ų | 121 | 130.7 Ų | 130.7 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | trans | 53.5 | 101.9 | 163.6 | 52.5 | 0 | 0 | 0 | 0 | 118.1 | S24 | T22-S24 PolarHBondContact O-N 2.76Š| ||
| 23 | G | 41.9 | Very low | 45.2 | Very low | 87 Ų | 87 | 129.4 Ų | 129.4 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | trans | -69.4 | 119.3 | 146.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | G25 | G23-G25 PolarHBondContact O-N 3.04Š| ||
| 24 | S | 48.6 | Very low | 45.5 | Very low | 118 Ų | 118 | 129 Ų | 129 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | -85.3 | 108.1 | 178 | 35 | 0 | 0 | 0 | 0 | 110.8 | T22 | T22-S24 PolarHBondContact O-N 2.76Š| ||
| 25 | G | 43.8 | Very low | 45.6 | Very low | 70 Ų | 70 | 130.1 Ų | 130.1 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | trans | -68.5 | 150.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | G23 A27 | G23-G25 PolarHBondContact O-N 3.04Å; G25-A27 PolarHBondContact O-N 3.41Å | ||
| 26 | S | 41.7 | Very low | 46.1 | Very low | 133 Ų | 133 | 130.4 Ų | 130.4 | 93% | 0.93 | 81% | 0.806 | S | S | * | * | trans | -63.4 | 125.5 | 176.7 | 41.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 27 | A | 46.5 | Very low | 45.7 | Very low | 92 Ų | 92 | 131.2 Ų | 131.2 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | trans | -133.1 | 121.9 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | G25 Q29 | G25-A27 PolarHBondContact O-N 3.41Å; A27-Q29 PolarHBondContact O-N 3.17Å | ||
| 28 | T | 41.5 | Very low | 45.6 | Very low | 140 Ų | 140 | 128 Ų | 128 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | trans | -65.1 | 121.6 | 176.3 | -36.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 29 | Q | 47 | Very low | 45.9 | Very low | 180 Ų | 180 | 129 Ų | 129 | 84% | 0.841 | 80% | 0.797 | S | S | * | * | trans | -140.6 | 143 | 160.8 | -75 | -164.2 | -22.1 | 0 | 0 | 110.3 | A27 | A27-Q29 PolarHBondContact O-N 3.17Š| ||
| 30 | D | 41.7 | Very low | 46 | Very low | 148 Ų | 148 | 131.8 Ų | 131.8 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | trans | -76.2 | 147.2 | -166.5 | -50.6 | -86.5 | 0 | 0 | 0 | 113.7 | ||||
| 31 | P | 51.3 | Low | 46.2 | Very low | 130 Ų | 130 | 129.8 Ų | 129.8 | 84% | 0.844 | 80% | 0.803 | S | S | * | * | trans | -95.8 | 86.5 | 169.4 | 35.4 | -29.9 | 0 | 0 | 0 | 111.3 | ||||
| 32 | E | 43.6 | Very low | 46.6 | Very low | 167 Ų | 167 | 130.4 Ų | 130.4 | 78% | 0.78 | 81% | 0.807 | S | S | * | * | trans | -96.1 | 114.2 | 163.5 | -88.5 | -153.2 | 139.9 | 0 | 0 | 112.5 | ||||
| 33 | L | 47.5 | Very low | 46.8 | Very low | 141 Ų | 141 | 133.8 Ų | 133.8 | 74% | 0.738 | 81% | 0.814 | S | S | * | * | trans | 55.6 | 100.3 | 135.5 | -59 | 169.7 | 0 | 0 | 0 | 118.7 | ||||
| 34 | T | 49.7 | Very low | 47 | Very low | 140 Ų | 140 | 138.3 Ų | 138.3 | 86% | 0.859 | 81% | 0.812 | S | S | * | * | trans | -135.6 | 114.8 | 141.6 | -64.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 35 | R | 47.5 | Very low | 47 | Very low | 216 Ų | 216 | 142 Ų | 142 | 82% | 0.815 | 82% | 0.816 | S | S | * | * | trans | -74.6 | 144.9 | 172.8 | -75.1 | 173.8 | 162 | 179.8 | -6.5 | 110.6 | ||||
| 36 | P | 58.2 | Low | 47.3 | Very low | 127 Ų | 127 | 147.5 Ų | 147.5 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | trans | -101.2 | 141.8 | 141.7 | 34 | -26.9 | 0 | 0 | 0 | 109.9 | ||||
| 37 | N | 44.4 | Very low | 47.7 | Very low | 135 Ų | 135 | 145.4 Ų | 145.4 | 72% | 0.722 | 81% | 0.814 | S | S | * | * | trans | -139.4 | 138 | 174.5 | -146.2 | 20.3 | 0 | 0 | 0 | 109.4 | ||||
| 38 | S | 47.4 | Very low | 47.8 | Very low | 107 Ų | 107 | 146.1 Ų | 146.1 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | trans | 53.6 | 105.6 | 160.9 | 55.3 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 39 | A | 48.8 | Very low | 48.1 | Very low | 95 Ų | 95 | 144 Ų | 144 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | 166.2 | 95.4 | 130.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 40 | D | 43.9 | Very low | 48.2 | Very low | 166 Ų | 166 | 142 Ų | 142 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | 56.6 | 81.9 | 86.6 | -164.8 | 22.3 | 0 | 0 | 0 | 113.6 | |||||
| 41 | S | 47.6 | Very low | 48.5 | Very low | 119 Ų | 119 | 143.7 Ų | 143.7 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | -157.3 | 129.3 | 152.6 | -164.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 42 | S | 49.9 | Very low | 48.5 | Very low | 106 Ų | 106 | 141.9 Ų | 141.9 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | trans | -85.5 | 122.3 | -169 | 55 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 43 | Q | 49.8 | Very low | 48.9 | Very low | 192 Ų | 192 | 137.8 Ų | 137.8 | 90% | 0.897 | 78% | 0.78 | S | S | * | * | trans | -142.8 | 135.9 | 143.5 | -78.7 | -155.3 | -12.3 | 0 | 0 | 111.1 | Q45 | Q43-Q45 PolarHBondContact O-N 2.76Š| ||
| 44 | H | 45.4 | Very low | 49.2 | Very low | 182 Ų | 182 | 134.7 Ų | 134.7 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | trans | -70.1 | 123 | -179.3 | -74.8 | -5 | 0 | 0 | 0 | 112.2 | ||||
| 45 | Q | 49.3 | Very low | 49.7 | Very low | 196 Ų | 196 | 131.7 Ų | 131.7 | 92% | 0.916 | 76% | 0.76 | S | S | * | * | trans | -131.1 | 131.5 | 143.2 | -68.5 | -162.9 | 29.8 | 0 | 0 | 109.1 | Q43 A47 | Q43-Q45 PolarHBondContact O-N 2.76Å; Q45-A47 PolarHBondContact O-N 3.46Å | ||
| 46 | Q | 49.5 | Very low | 50.4 | Low | 185 Ų | 185 | 126.4 Ų | 126.4 | 86% | 0.864 | 76% | 0.755 | S | S | * | * | trans | -81.1 | 117.2 | -166.1 | -65.2 | 171.7 | -6.7 | 0 | 0 | 110.8 | ||||
| 47 | A | 50.1 | Low | 51 | Low | 89 Ų | 89 | 121.7 Ų | 121.7 | 74% | 0.736 | 72% | 0.723 | S | S | * | * | trans | -75.1 | 126.7 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109 | Q45 S49 | Q45-A47 PolarHBondContact O-N 3.46Å; A47-S49 PolarHBondContact O-N 3.14Å | ||
| 48 | P | 49.2 | Very low | 52.8 | Low | 108 Ų | 108 | 119 Ų | 119 | 70% | 0.701 | 72% | 0.715 | S | S | * | * | trans | -72.2 | 97.5 | 176.4 | 28.8 | -33 | 0 | 0 | 0 | 109.5 | N50 | P48-N50 VanDerWaalsContact C-N 3.34Å; P48-N50 PolarHBondContact O-N 2.94Å | ||
| 49 | S | 48 | Very low | 54.7 | Low | 96 Ų | 96 | 119.9 Ų | 119.9 | 67% | 0.671 | 71% | 0.71 | S | S | * | * | trans | -66.6 | 90.4 | 173.8 | 56.9 | 0 | 0 | 0 | 0 | 110.2 | A47 H51 | A47-S49 PolarHBondContact O-N 3.14Å; S49-H51 PolarHBondContact O-N 3.41Å | ||
| 50 | N | 48.4 | Very low | 56.6 | Low | 138 Ų | 138 | 119.4 Ų | 119.4 | 74% | 0.738 | 69% | 0.692 | S | S | * | * | trans | -71.3 | 52.2 | 175 | -80.7 | -32 | 0 | 0 | 0 | 112.2 | P48 | P48-N50 VanDerWaalsContact C-N 3.34Å; P48-N50 PolarHBondContact O-N 2.94Å | ||
| 51 | H | 48.9 | Very low | 58.9 | Low | 182 Ų | 182 | 114.5 Ų | 114.5 | 84% | 0.843 | 66% | 0.663 | S | S | * | * | trans | -129.6 | 22.7 | -174.9 | -66 | -22.9 | 0 | 0 | 0 | 112.6 | S49 | S49-H51 PolarHBondContact O-N 3.41Š| ||
| 52 | S | 50.8 | Low | 60.8 | Low | 93 Ų | 93 | 115 Ų | 115 | 65% | 0.65 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -153.2 | 44.1 | 179.4 | -167.1 | 0 | 0 | 0 | 0 | 115.9 | ||
| 53 | S | 52.6 | Low | 62.9 | Low | 80 Ų | 80 | 113.6 Ų | 113.6 | 56% | 0.559 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -124.9 | 2.7 | 174.2 | 57 | 0 | 0 | 0 | 0 | 115 | L57 | S53-L57 WeakPolarHBondContact O-CD2 3.3Š|
| 54 | S | 54.7 | Low | 65 | Low | 77 Ų | 77 | 111.4 Ų | 111.4 | 54% | 0.538 | 61% | 0.614 | S | S | . | * | S | Bend | trans | -94.5 | -16 | 170.4 | 58.5 | 0 | 0 | 0 | 0 | 113.7 | R62 | S54-R62 PolarHBondContact O-NH2 3.35Š|
| 55 | A | 59 | Low | 67.2 | Low | 77 Ų | 77 | 108.9 Ų | 108.9 | 64% | 0.636 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -79.5 | -30.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 56 | S | 61.4 | Low | 69.3 | Low | 104 Ų | 104 | 104 Ų | 104 | 73% | 0.727 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -89.7 | -2.5 | 179.6 | 50.9 | 0 | 0 | 0 | 0 | 114.4 | ||
| 57 | L | 71.5 | Confident | 71.5 | Confident | 28 Ų | 28 | 100.6 Ų | 100.6 | 15% | 0.147 | 56% | 0.56 | C | S | . | * | S | Bend | trans | -72.9 | 131.5 | 179.6 | -50.9 | 179.9 | 0 | 0 | 0 | 110.1 | S53 E61 R65 | S53-L57 WeakPolarHBondContact O-CD2 3.3Å; L57-E61 HydrophobicContact CB-CB 4.47Å; L57-R65 VanDerWaalsContact CD1-CZ 3.41Å |
| 58 | S | 81.9 | Confident | 73.6 | Confident | 78 Ų | 78 | 98.7 Ų | 98.7 | 55% | 0.545 | 54% | 0.544 | S | S | . | . | trans | -54.2 | 146.6 | 169.3 | 178.3 | 0 | 0 | 0 | 0 | 110.4 | E60 E61 R62 | S58-E60 PolarHBondContact O-N 2.77Å; S58-E60 VanDerWaalsContact O-N 3.16Å; S58-E61 WeakPolarHBondContact O-CA 3.24Å; S58-E61 WeakPolarHBondContact O-CB 3.17Å; S58-E61 PolarHBondContact O-N 3.17Å; S58-R62 PolarHBondContact O-N 2.77Å | ||
| 59 | I | 87.6 | Confident | 75.7 | Confident | 127 Ų | 127 | 96.4 Ų | 96.4 | 65% | 0.651 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -52.1 | -40.7 | 179.3 | -65.8 | 171.1 | 0 | 0 | 0 | 110.5 | E61 R62 L63 | I59-E61 PolarHBondContact O-N 3.29Å; I59-R62 WeakPolarHBondContact O-CB 3.38Å; I59-R62 PolarHBondContact O-N 3.28Å; I59-L63 HydrophobicContact CG2-CD1 3.98Å; I59-L63 VanDerWaalsContact O-CD1 3.27Å; I59-L63 WeakPolarHBondContact O-CD1 3.39Å; I59-L63 PolarHBondContact O-N 3.14Å |
| 60 | E | 90 | Very high | 78 | Confident | 85 Ų | 85 | 97.1 Ų | 97.1 | 40% | 0.397 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.8 | -36.5 | 177.7 | -178 | 50.2 | -142.7 | 0 | 0 | 112.9 | S58 L63 R64 R67 | S58-E60 PolarHBondContact O-N 2.77Å; S58-E60 VanDerWaalsContact O-N 3.16Å; E60-L63 PolarHBondContact O-N 3.46Å; E60-R64 WeakPolarHBondContact O-CB 3.46Å; E60-R64 PolarHBondContact O-N 3.38Å; E60-R67 IonicContact OE1-CZ 2.96Å; E60-R67 IonicContact OE1-NH2 3.49Å; E60-R67 PolarHBondContact OE1-NH2 2.89Å |
| 61 | E | 90.5 | Very high | 80.2 | Confident | 62 Ų | 62 | 96.3 Ų | 96.3 | 29% | 0.29 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.8 | -37.1 | 176.2 | -160.5 | -164.8 | 151.2 | 0 | 0 | 111.3 | L57 S58 I59 R64 R65 | L57-E61 HydrophobicContact CB-CB 4.47Å; S58-E61 WeakPolarHBondContact O-CA 3.24Å; S58-E61 WeakPolarHBondContact O-CB 3.17Å; S58-E61 PolarHBondContact O-N 3.17Å; I59-E61 PolarHBondContact O-N 3.29Å; E61-R64 PolarHBondContact O-N 3.46Å; E61-R65 WeakPolarHBondContact O-CG 3.37Å; E61-R65 PolarHBondContact O-N 3.02Å; E61-R65 IonicContact OE1-CZ 3.23Å; E61-R65 VanDerWaalsContact OE1-CZ 3.25Å; E61-R65 IonicContact OE1-NE 3.41Å; E61-R65 PolarHBondContact OE1-NE 3.49Å; E61-R65 IonicContact OE1-NH2 2.69Å; E61-R65 PolarHBondContact OE1-NH2 3.35Å |
| 62 | R | 89 | Confident | 82.5 | Confident | 129 Ų | 129 | 92 Ų | 92 | 49% | 0.487 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61 | -45.2 | 172.7 | -168.6 | -179.6 | -62.4 | 171.4 | 2.5 | 111 | S54 S58 I59 R65 V66 | S54-R62 PolarHBondContact O-NH2 3.35Å; S58-R62 PolarHBondContact O-N 2.77Å; I59-R62 WeakPolarHBondContact O-CB 3.38Å; I59-R62 PolarHBondContact O-N 3.28Å; R62-R65 PolarHBondContact O-N 3.05Å; R62-V66 WeakPolarHBondContact O-CG2 3.3Å; R62-V66 PolarHBondContact O-N 2.83Å |
| 63 | L | 92.8 | Very high | 84.6 | Confident | 78 Ų | 78 | 93.2 Ų | 93.2 | 41% | 0.408 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.4 | -41.9 | 174.3 | -93.1 | 72.1 | 0 | 0 | 0 | 111.9 | I59 E60 R65 V66 R67 | I59-L63 HydrophobicContact CG2-CD1 3.98Å; I59-L63 VanDerWaalsContact O-CD1 3.27Å; I59-L63 WeakPolarHBondContact O-CD1 3.39Å; I59-L63 PolarHBondContact O-N 3.14Å; E60-L63 PolarHBondContact O-N 3.46Å; L63-R65 PolarHBondContact O-N 2.64Å; L63-V66 PolarHBondContact O-N 2.96Å; L63-R67 WeakPolarHBondContact O-CG 3.46Å; L63-R67 PolarHBondContact O-N 2.86Å |
| 64 | R | 93.7 | Very high | 86.6 | Confident | 145 Ų | 145 | 94.7 Ų | 94.7 | 55% | 0.547 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 175.7 | -168.6 | -177.6 | -60 | 140.2 | 4.2 | 112 | E60 E61 R67 A68 | E60-R64 WeakPolarHBondContact O-CB 3.46Å; E60-R64 PolarHBondContact O-N 3.38Å; E61-R64 PolarHBondContact O-N 3.46Å; R64-R67 PolarHBondContact O-N 3.4Å; R64-A68 WeakPolarHBondContact O-CB 3.31Å; R64-A68 PolarHBondContact O-N 2.86Å |
| 65 | R | 92.5 | Very high | 88.6 | Confident | 130 Ų | 130 | 97.3 Ų | 97.3 | 49% | 0.491 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.4 | -37.6 | 175.8 | -69.5 | -177.5 | -170.5 | -158.7 | 6.5 | 112.3 | L57 E61 R62 L63 A69 | L57-R65 VanDerWaalsContact CD1-CZ 3.41Å; E61-R65 WeakPolarHBondContact O-CG 3.37Å; E61-R65 PolarHBondContact O-N 3.02Å; E61-R65 IonicContact OE1-CZ 3.23Å; E61-R65 VanDerWaalsContact OE1-CZ 3.25Å; E61-R65 IonicContact OE1-NE 3.41Å; E61-R65 PolarHBondContact OE1-NE 3.49Å; E61-R65 IonicContact OE1-NH2 2.69Å; E61-R65 PolarHBondContact OE1-NH2 3.35Å; R62-R65 PolarHBondContact O-N 3.05Å; L63-R65 PolarHBondContact O-N 2.64Å; R65-A69 VanDerWaalsContact O-CB 3.26Å; R65-A69 WeakPolarHBondContact O-CB 3.26Å; R65-A69 PolarHBondContact O-N 2.81Å |
| 66 | V | 93.7 | Very high | 90.3 | Very high | 92 Ų | 92 | 99.5 Ų | 99.5 | 56% | 0.558 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.2 | -48.1 | 173.8 | 170.6 | 0 | 0 | 0 | 0 | 111.1 | R62 L63 A68 A69 E70 | R62-V66 WeakPolarHBondContact O-CG2 3.3Å; R62-V66 PolarHBondContact O-N 2.83Å; L63-V66 PolarHBondContact O-N 2.96Å; V66-A68 PolarHBondContact O-N 3.39Å; V66-A69 PolarHBondContact O-N 2.84Å; V66-E70 WeakPolarHBondContact O-CB 3.48Å; V66-E70 PolarHBondContact O-N 3.05Å |
| 67 | R | 94.6 | Very high | 91.9 | Very high | 114 Ų | 114 | 102.8 Ų | 102.8 | 43% | 0.43 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.6 | -42.4 | 176.2 | -69.9 | -175.1 | -64.4 | -115.5 | 1 | 112.1 | E60 L63 R64 E70 Q71 | E60-R67 IonicContact OE1-CZ 2.96Å; E60-R67 IonicContact OE1-NH2 3.49Å; E60-R67 PolarHBondContact OE1-NH2 2.89Å; L63-R67 WeakPolarHBondContact O-CG 3.46Å; L63-R67 PolarHBondContact O-N 2.86Å; R64-R67 PolarHBondContact O-N 3.4Å; R67-E70 PolarHBondContact O-N 3.26Å; R67-Q71 WeakPolarHBondContact O-CG 3.2Å; R67-Q71 PolarHBondContact O-N 2.82Å |
| 68 | A | 94.4 | Very high | 93.1 | Very high | 50 Ų | 50 | 109.3 Ų | 109.3 | 41% | 0.413 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.5 | -40.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R64 V66 E70 Q71 L72 | R64-A68 WeakPolarHBondContact O-CB 3.31Å; R64-A68 PolarHBondContact O-N 2.86Å; V66-A68 PolarHBondContact O-N 3.39Å; A68-E70 VanDerWaalsContact C-N 3.33Å; A68-Q71 PolarHBondContact O-N 3.09Å; A68-L72 WeakPolarHBondContact O-CB 3.31Å; A68-L72 PolarHBondContact O-N 3.08Å |
| 69 | A | 94.8 | Very high | 93.7 | Very high | 60 Ų | 60 | 108.3 Ų | 108.3 | 50% | 0.496 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.7 | -34.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R65 V66 K73 | R65-A69 VanDerWaalsContact O-CB 3.26Å; R65-A69 WeakPolarHBondContact O-CB 3.26Å; R65-A69 PolarHBondContact O-N 2.81Å; V66-A69 PolarHBondContact O-N 2.84Å; A69-K73 VanDerWaalsContact O-CB 3.31Å; A69-K73 WeakPolarHBondContact O-CB 3.33Å; A69-K73 PolarHBondContact O-N 3.23Å |
| 70 | E | 94.3 | Very high | 94.1 | Very high | 111 Ų | 111 | 104.9 Ų | 104.9 | 52% | 0.519 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.6 | -45.1 | 172.7 | -175.4 | 169.5 | -164.3 | 0 | 0 | 111.9 | V66 R67 A68 L72 K73 Q74 | V66-E70 WeakPolarHBondContact O-CB 3.48Å; V66-E70 PolarHBondContact O-N 3.05Å; R67-E70 PolarHBondContact O-N 3.26Å; A68-E70 VanDerWaalsContact C-N 3.33Å; E70-L72 PolarHBondContact O-N 3.46Å; E70-K73 CarbonylContact O-C 3.59Å; E70-K73 WeakPolarHBondContact O-CB 3.26Å; E70-K73 PolarHBondContact O-N 2.86Å; E70-K73 VanDerWaalsContact O-N 3.17Å; E70-Q74 WeakPolarHBondContact O-CG 3.5Å; E70-Q74 PolarHBondContact O-N 2.97Å |
| 71 | Q | 95.9 | Very high | 94.4 | Very high | 120 Ų | 120 | 107.5 Ų | 107.5 | 56% | 0.561 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -58.8 | -45.4 | 173.5 | -75.6 | 176 | -22.3 | 0 | 0 | 112 | R67 A68 K73 Q74 Q75 | R67-Q71 WeakPolarHBondContact O-CG 3.2Å; R67-Q71 PolarHBondContact O-N 2.82Å; A68-Q71 PolarHBondContact O-N 3.09Å; Q71-K73 VanDerWaalsContact C-N 3.31Å; Q71-K73 PolarHBondContact O-N 3.43Å; Q71-Q74 WeakPolarHBondContact O-CB 3.39Å; Q71-Q74 PolarHBondContact O-N 2.82Å; Q71-Q75 WeakPolarHBondContact O-CG 3.37Å; Q71-Q75 PolarHBondContact O-N 3.4Å |
| 72 | L | 96.3 | Very high | 94.6 | Very high | 92 Ų | 92 | 107 Ų | 107 | 48% | 0.482 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.7 | -40.2 | 174.9 | -178.6 | 63.1 | 0 | 0 | 0 | 111.8 | A68 E70 Q75 Q76 | A68-L72 WeakPolarHBondContact O-CB 3.31Å; A68-L72 PolarHBondContact O-N 3.08Å; E70-L72 PolarHBondContact O-N 3.46Å; L72-Q75 PolarHBondContact O-N 3.39Å; L72-Q76 WeakPolarHBondContact O-CG 3.35Å; L72-Q76 PolarHBondContact O-N 2.85Å |
| 73 | K | 95 | Very high | 94.7 | Very high | 119 Ų | 119 | 106 Ų | 106 | 52% | 0.517 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.4 | -32.9 | 176.1 | -172.1 | 175.6 | -176.5 | 175.6 | 0 | 112.7 | A69 E70 Q71 R77 | A69-K73 VanDerWaalsContact O-CB 3.31Å; A69-K73 WeakPolarHBondContact O-CB 3.33Å; A69-K73 PolarHBondContact O-N 3.23Å; E70-K73 CarbonylContact O-C 3.59Å; E70-K73 WeakPolarHBondContact O-CB 3.26Å; E70-K73 PolarHBondContact O-N 2.86Å; E70-K73 VanDerWaalsContact O-N 3.17Å; Q71-K73 VanDerWaalsContact C-N 3.31Å; Q71-K73 PolarHBondContact O-N 3.43Å; K73-R77 WeakPolarHBondContact O-CB 3.41Å; K73-R77 WeakPolarHBondContact O-CG 3.41Å; K73-R77 PolarHBondContact O-N 3.4Å |
| 74 | Q | 95.8 | Very high | 94.7 | Very high | 110 Ų | 110 | 104.7 Ų | 104.7 | 51% | 0.514 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.2 | -44.7 | 171.4 | -71.3 | 174 | 4.7 | 0 | 0 | 110.8 | E70 Q71 R77 Y78 | E70-Q74 WeakPolarHBondContact O-CG 3.5Å; E70-Q74 PolarHBondContact O-N 2.97Å; Q71-Q74 WeakPolarHBondContact O-CB 3.39Å; Q71-Q74 PolarHBondContact O-N 2.82Å; Q74-R77 PolarHBondContact O-N 3.12Å; Q74-Y78 PolarHBondContact O-N 3.47Å |
| 75 | Q | 95.5 | Very high | 94.7 | Very high | 133 Ų | 133 | 101.4 Ų | 101.4 | 62% | 0.621 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60 | -45 | 173.8 | -71.6 | 176.9 | -4 | 0 | 0 | 112.1 | Q71 L72 R77 Y78 A79 | Q71-Q75 WeakPolarHBondContact O-CG 3.37Å; Q71-Q75 PolarHBondContact O-N 3.4Å; L72-Q75 PolarHBondContact O-N 3.39Å; Q75-R77 PolarHBondContact O-N 3.29Å; Q75-Y78 PolarHBondContact O-N 2.99Å; Q75-A79 WeakPolarHBondContact O-CB 3.35Å; Q75-A79 PolarHBondContact O-N 3.34Å |
| 76 | Q | 96.2 | Very high | 94.7 | Very high | 122 Ų | 122 | 100.2 Ų | 100.2 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.7 | -40.1 | 175.4 | -75.5 | 177.7 | -6.6 | 0 | 0 | 112.7 | L72 A79 A80 | L72-Q76 WeakPolarHBondContact O-CG 3.35Å; L72-Q76 PolarHBondContact O-N 2.85Å; Q76-A79 PolarHBondContact O-N 3.13Å; Q76-A80 VanDerWaalsContact O-CB 3.3Å; Q76-A80 WeakPolarHBondContact O-CB 3.32Å; Q76-A80 PolarHBondContact O-N 2.93Å |
| 77 | R | 93.4 | Very high | 94.6 | Very high | 174 Ų | 174 | 100.8 Ų | 100.8 | 66% | 0.657 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.6 | -40.7 | 174 | -79.6 | 173.7 | 166.8 | -174.1 | -5.7 | 112.3 | K73 Q74 Q75 Y81 | K73-R77 WeakPolarHBondContact O-CB 3.41Å; K73-R77 WeakPolarHBondContact O-CG 3.41Å; K73-R77 PolarHBondContact O-N 3.4Å; Q74-R77 PolarHBondContact O-N 3.12Å; Q75-R77 PolarHBondContact O-N 3.29Å; R77-Y81 WeakPolarHBondContact O-CB 3.37Å; R77-Y81 PolarHBondContact O-N 2.82Å |
| 78 | Y | 96.9 | Very high | 94.5 | Very high | 165 Ų | 165 | 97.3 Ų | 97.3 | 65% | 0.647 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.5 | -46.3 | 176.5 | -178.7 | -103.4 | 0 | 0 | 0 | 111.7 | Q74 Q75 A80 Y81 V82 | Q74-Y78 PolarHBondContact O-N 3.47Å; Q75-Y78 PolarHBondContact O-N 2.99Å; Y78-A80 PolarHBondContact O-N 3.13Å; Y78-Y81 WeakPolarHBondContact O-CB 2.99Å; Y78-Y81 PolarHBondContact O-N 3.09Å; Y78-V82 HydrophobicContact CD1-CG2 4.48Å; Y78-V82 HydrophobicContact CE1-CG2 4.07Å; Y78-V82 HydrophobicContact CE2-CG2 4.3Å; Y78-V82 WeakPolarHBondContact O-CG2 3.48Å; Y78-V82 PolarHBondContact O-N 3.02Å |
| 79 | A | 94.6 | Very high | 94.4 | Very high | 57 Ų | 57 | 99.8 Ų | 99.8 | 47% | 0.471 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59 | -48.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q75 Q76 Y81 V82 E83 | Q75-A79 WeakPolarHBondContact O-CB 3.35Å; Q75-A79 PolarHBondContact O-N 3.34Å; Q76-A79 PolarHBondContact O-N 3.13Å; A79-Y81 VanDerWaalsContact C-N 3.29Å; A79-Y81 PolarHBondContact O-N 3Å; A79-V82 PolarHBondContact O-N 3.22Å; A79-E83 WeakPolarHBondContact O-CB 3.41Å; A79-E83 PolarHBondContact O-N 3.37Å |
| 80 | A | 95.6 | Very high | 94 | Very high | 54 Ų | 54 | 101.5 Ų | 101.5 | 45% | 0.446 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.2 | -31.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | Q76 Y78 A84 | Q76-A80 VanDerWaalsContact O-CB 3.3Å; Q76-A80 WeakPolarHBondContact O-CB 3.32Å; Q76-A80 PolarHBondContact O-N 2.93Å; Y78-A80 PolarHBondContact O-N 3.13Å; A80-A84 WeakPolarHBondContact O-CB 3.39Å; A80-A84 PolarHBondContact O-N 3.02Å |
| 81 | Y | 96.2 | Very high | 93.7 | Very high | 140 Ų | 140 | 98.3 Ų | 98.3 | 55% | 0.549 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.4 | -46 | 173.3 | 174 | -100 | 0 | 0 | 0 | 111.8 | R77 Y78 A79 A84 Q85 | R77-Y81 WeakPolarHBondContact O-CB 3.37Å; R77-Y81 PolarHBondContact O-N 2.82Å; Y78-Y81 WeakPolarHBondContact O-CB 2.99Å; Y78-Y81 PolarHBondContact O-N 3.09Å; A79-Y81 VanDerWaalsContact C-N 3.29Å; A79-Y81 PolarHBondContact O-N 3Å; Y81-A84 PolarHBondContact O-N 3.37Å; Y81-Q85 HydrophobicContact CE1-CG 4.22Å; Y81-Q85 HydrophobicContact CE2-CG 4.38Å; Y81-Q85 WeakPolarHBondContact O-CG 3.25Å; Y81-Q85 PolarHBondContact O-N 3.12Å; Y81-Q85 PolarHBondContact OH-NE2 3.19Å |
| 82 | V | 94.7 | Very high | 93.4 | Very high | 53 Ų | 53 | 99 Ų | 99 | 32% | 0.321 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 176.8 | 174.6 | 0 | 0 | 0 | 0 | 111 | Y78 A79 Q85 Q86 | Y78-V82 HydrophobicContact CD1-CG2 4.48Å; Y78-V82 HydrophobicContact CE1-CG2 4.07Å; Y78-V82 HydrophobicContact CE2-CG2 4.3Å; Y78-V82 WeakPolarHBondContact O-CG2 3.48Å; Y78-V82 PolarHBondContact O-N 3.02Å; A79-V82 PolarHBondContact O-N 3.22Å; V82-Q85 PolarHBondContact O-N 3.36Å; V82-Q86 WeakPolarHBondContact O-CG 3.4Å; V82-Q86 PolarHBondContact O-N 3.3Å |
| 83 | E | 91.2 | Very high | 92.8 | Very high | 106 Ų | 106 | 100.5 Ų | 100.5 | 50% | 0.495 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.1 | -44 | 175.5 | -165.6 | -167.1 | 153.3 | 0 | 0 | 111.7 | A79 Q85 Q86 Q87 | A79-E83 WeakPolarHBondContact O-CB 3.41Å; A79-E83 PolarHBondContact O-N 3.37Å; E83-Q85 VanDerWaalsContact C-N 3.3Å; E83-Q85 PolarHBondContact O-N 2.95Å; E83-Q86 PolarHBondContact O-N 2.65Å; E83-Q87 WeakPolarHBondContact O-CG 3.48Å; E83-Q87 PolarHBondContact O-N 2.9Å; E83-Q87 PolarHBondContact OE1-NE2 3.35Å |
| 84 | A | 93.5 | Very high | 92.3 | Very high | 52 Ų | 52 | 103 Ų | 103 | 43% | 0.43 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.7 | -35 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A80 Y81 A88 | A80-A84 WeakPolarHBondContact O-CB 3.39Å; A80-A84 PolarHBondContact O-N 3.02Å; Y81-A84 PolarHBondContact O-N 3.37Å; A84-A88 WeakPolarHBondContact O-CB 3.5Å; A84-A88 PolarHBondContact O-N 2.93Å |
| 85 | Q | 93 | Very high | 92.2 | Very high | 75 Ų | 75 | 102.8 Ų | 102.8 | 35% | 0.35 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.2 | -46.9 | 172.4 | -69 | -66.8 | -9.6 | 0 | 0 | 111.3 | Y81 V82 E83 Q87 A88 E89 | Y81-Q85 HydrophobicContact CE1-CG 4.22Å; Y81-Q85 HydrophobicContact CE2-CG 4.38Å; Y81-Q85 WeakPolarHBondContact O-CG 3.25Å; Y81-Q85 PolarHBondContact O-N 3.12Å; Y81-Q85 PolarHBondContact OH-NE2 3.19Å; V82-Q85 PolarHBondContact O-N 3.36Å; E83-Q85 VanDerWaalsContact C-N 3.3Å; E83-Q85 PolarHBondContact O-N 2.95Å; Q85-Q87 VanDerWaalsContact C-N 3.33Å; Q85-Q87 PolarHBondContact O-N 2.68Å; Q85-A88 PolarHBondContact O-N 2.84Å; Q85-A88 VanDerWaalsContact O-N 3.13Å; Q85-E89 WeakPolarHBondContact O-CG 3.31Å; Q85-E89 PolarHBondContact O-N 2.88Å |
| 86 | Q | 93.8 | Very high | 91.9 | Very high | 106 Ų | 106 | 101.2 Ų | 101.2 | 50% | 0.495 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.1 | -41.5 | 175.2 | -68.8 | 176.1 | -1.7 | 0 | 0 | 112 | V82 E83 E89 M90 | V82-Q86 WeakPolarHBondContact O-CG 3.4Å; V82-Q86 PolarHBondContact O-N 3.3Å; E83-Q86 PolarHBondContact O-N 2.65Å; Q86-E89 PolarHBondContact O-N 3.46Å; Q86-M90 WeakPolarHBondContact O-CG 3.46Å; Q86-M90 PolarHBondContact O-N 3.4Å |
| 87 | Q | 91.6 | Very high | 91.6 | Very high | 103 Ų | 103 | 101.7 Ų | 101.7 | 48% | 0.481 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.4 | -39.8 | 174.4 | -70.1 | -175.7 | 17.6 | 0 | 0 | 112 | E83 Q85 M90 A91 | E83-Q87 WeakPolarHBondContact O-CG 3.48Å; E83-Q87 PolarHBondContact O-N 2.9Å; E83-Q87 PolarHBondContact OE1-NE2 3.35Å; Q85-Q87 VanDerWaalsContact C-N 3.33Å; Q85-Q87 PolarHBondContact O-N 2.68Å; Q87-M90 HydrophobicContact CG-CE 4.23Å; Q87-M90 PolarHBondContact O-N 2.86Å; Q87-A91 VanDerWaalsContact O-CB 3.31Å; Q87-A91 WeakPolarHBondContact O-CB 3.42Å; Q87-A91 PolarHBondContact O-N 2.86Å |
| 88 | A | 92.8 | Very high | 91.3 | Very high | 41 Ų | 41 | 98 Ų | 98 | 34% | 0.339 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -68.2 | -33.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A84 Q85 R92 | A84-A88 WeakPolarHBondContact O-CB 3.5Å; A84-A88 PolarHBondContact O-N 2.93Å; Q85-A88 PolarHBondContact O-N 2.84Å; Q85-A88 VanDerWaalsContact O-N 3.13Å; A88-R92 WeakPolarHBondContact O-CB 3.29Å; A88-R92 WeakPolarHBondContact O-CG 3.47Å; A88-R92 PolarHBondContact O-N 3.26Å; A88-R92 PolarHBondContact O-NE 2.83Å |
| 89 | E | 91.2 | Very high | 90.8 | Very high | 103 Ų | 103 | 97.2 Ų | 97.2 | 48% | 0.481 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.1 | -48.8 | 171.5 | -73.7 | 173.2 | 177 | 0 | 0 | 111.8 | Q85 Q86 A91 R92 M93 | Q85-E89 WeakPolarHBondContact O-CG 3.31Å; Q85-E89 PolarHBondContact O-N 2.88Å; Q86-E89 PolarHBondContact O-N 3.46Å; E89-A91 VanDerWaalsContact C-N 3.27Å; E89-A91 PolarHBondContact O-N 3.43Å; E89-R92 PolarHBondContact O-N 2.89Å; E89-R92 VanDerWaalsContact O-N 3.14Å; E89-R92 IonicContact OE1-NH2 2.69Å; E89-M93 WeakPolarHBondContact O-CG 3.25Å; E89-M93 PolarHBondContact O-N 2.87Å |
| 90 | M | 85.9 | Confident | 90.6 | Very high | 96 Ų | 96 | 101.7 Ų | 101.7 | 47% | 0.473 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.2 | -38.3 | 173.1 | -73.6 | -170.4 | -74 | 0 | 0 | 112.3 | Q86 Q87 M93 R94 | Q86-M90 WeakPolarHBondContact O-CG 3.46Å; Q86-M90 PolarHBondContact O-N 3.4Å; Q87-M90 HydrophobicContact CG-CE 4.23Å; Q87-M90 PolarHBondContact O-N 2.86Å; M90-M93 PolarHBondContact O-N 3.43Å; M90-R94 WeakPolarHBondContact O-CB 3.09Å; M90-R94 WeakPolarHBondContact O-CG 3.4Å; M90-R94 PolarHBondContact O-N 2.79Å |
| 91 | A | 89.8 | Confident | 90.4 | Very high | 43 Ų | 43 | 108 Ų | 108 | 36% | 0.355 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.5 | -41.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q87 E89 R94 Q95 | Q87-A91 VanDerWaalsContact O-CB 3.31Å; Q87-A91 WeakPolarHBondContact O-CB 3.42Å; Q87-A91 PolarHBondContact O-N 2.86Å; E89-A91 VanDerWaalsContact C-N 3.27Å; E89-A91 PolarHBondContact O-N 3.43Å; A91-R94 PolarHBondContact O-N 3.47Å; A91-Q95 WeakPolarHBondContact O-CG 3.41Å; A91-Q95 PolarHBondContact O-N 3.04Å |
| 92 | R | 89.1 | Confident | 90.1 | Very high | 135 Ų | 135 | 107.4 Ų | 107.4 | 51% | 0.509 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62 | -44.8 | 173.3 | -76.9 | -179.2 | -74.5 | -176.9 | 1.4 | 111.4 | A88 E89 Q95 Q96 | A88-R92 WeakPolarHBondContact O-CB 3.29Å; A88-R92 WeakPolarHBondContact O-CG 3.47Å; A88-R92 PolarHBondContact O-N 3.26Å; A88-R92 PolarHBondContact O-NE 2.83Å; E89-R92 PolarHBondContact O-N 2.89Å; E89-R92 VanDerWaalsContact O-N 3.14Å; E89-R92 IonicContact OE1-NH2 2.69Å; R92-Q95 PolarHBondContact O-N 2.91Å; R92-Q96 WeakPolarHBondContact O-CG 3.28Å; R92-Q96 PolarHBondContact O-N 2.94Å |
| 93 | M | 82.2 | Confident | 89.8 | Confident | 123 Ų | 123 | 110.7 Ų | 110.7 | 61% | 0.606 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.6 | -49.6 | 176.1 | -74 | -61.2 | -69.5 | 0 | 0 | 111.9 | E89 M90 Q95 Q96 E97 | E89-M93 WeakPolarHBondContact O-CG 3.25Å; E89-M93 PolarHBondContact O-N 2.87Å; M90-M93 PolarHBondContact O-N 3.43Å; M93-Q95 VanDerWaalsContact C-N 3.31Å; M93-Q95 PolarHBondContact O-N 3.31Å; M93-Q96 PolarHBondContact O-N 3.13Å; M93-Q96 VanDerWaalsContact O-N 3.09Å; M93-E97 WeakPolarHBondContact O-CB 3.3Å; M93-E97 PolarHBondContact O-N 2.92Å |
| 94 | R | 86.2 | Confident | 89.8 | Confident | 173 Ų | 173 | 109.4 Ų | 109.4 | 65% | 0.653 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -57.5 | -40.8 | 175.7 | -76.4 | 177.4 | -178.2 | 156.7 | 3.2 | 112.6 | M90 A91 E97 E98 | M90-R94 WeakPolarHBondContact O-CB 3.09Å; M90-R94 WeakPolarHBondContact O-CG 3.4Å; M90-R94 PolarHBondContact O-N 2.79Å; A91-R94 PolarHBondContact O-N 3.47Å; R94-E97 PolarHBondContact O-N 3.34Å; R94-E98 VanDerWaalsContact O-CB 3.26Å; R94-E98 WeakPolarHBondContact O-CB 3.39Å; R94-E98 PolarHBondContact O-N 3.48Å |
| 95 | Q | 92.3 | Very high | 89.6 | Confident | 104 Ų | 104 | 112.4 Ų | 112.4 | 49% | 0.486 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.8 | -35.9 | 176.3 | -74 | -177 | 14 | 0 | 0 | 112.9 | A91 R92 M93 R99 | A91-Q95 WeakPolarHBondContact O-CG 3.41Å; A91-Q95 PolarHBondContact O-N 3.04Å; R92-Q95 PolarHBondContact O-N 2.91Å; M93-Q95 VanDerWaalsContact C-N 3.31Å; M93-Q95 PolarHBondContact O-N 3.31Å; Q95-R99 WeakPolarHBondContact O-CB 3.31Å; Q95-R99 WeakPolarHBondContact O-CD 3.44Å; Q95-R99 WeakPolarHBondContact O-CG 3.48Å; Q95-R99 PolarHBondContact O-N 3.2Å; Q95-R99 VanDerWaalsContact O-N 3.15Å |
| 96 | Q | 90.1 | Very high | 89.3 | Confident | 101 Ų | 101 | 114.1 Ų | 114.1 | 47% | 0.472 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.6 | -44.1 | 174.5 | -69.8 | -177.9 | 13.4 | 0 | 0 | 111.5 | R92 M93 R99 K100 | R92-Q96 WeakPolarHBondContact O-CG 3.28Å; R92-Q96 PolarHBondContact O-N 2.94Å; M93-Q96 PolarHBondContact O-N 3.13Å; M93-Q96 VanDerWaalsContact O-N 3.09Å; Q96-R99 PolarHBondContact O-N 2.91Å; Q96-K100 WeakPolarHBondContact O-CG 3.46Å; Q96-K100 PolarHBondContact O-N 2.73Å |
| 97 | E | 89.4 | Confident | 89.3 | Confident | 132 Ų | 132 | 116.4 Ų | 116.4 | 62% | 0.617 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.6 | -47.1 | 175.9 | -172.7 | -174.1 | -179.3 | 0 | 0 | 111.5 | M93 R94 R99 K100 R101 | M93-E97 WeakPolarHBondContact O-CB 3.3Å; M93-E97 PolarHBondContact O-N 2.92Å; R94-E97 PolarHBondContact O-N 3.34Å; E97-R99 VanDerWaalsContact C-N 3.29Å; E97-R99 PolarHBondContact O-N 2.86Å; E97-K100 PolarHBondContact O-N 3.13Å; E97-K100 VanDerWaalsContact O-N 3.16Å; E97-R101 WeakPolarHBondContact O-CB 3.48Å; E97-R101 PolarHBondContact O-N 2.89Å |
| 98 | E | 87.2 | Confident | 89.4 | Confident | 95 Ų | 95 | 116.4 Ų | 116.4 | 44% | 0.444 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.9 | -33.2 | 178.7 | -159.2 | -161.3 | -161 | 0 | 0 | 112 | R94 R102 | R94-E98 VanDerWaalsContact O-CB 3.26Å; R94-E98 WeakPolarHBondContact O-CB 3.39Å; R94-E98 PolarHBondContact O-N 3.48Å; E98-R102 WeakPolarHBondContact O-CG 3.41Å; E98-R102 PolarHBondContact O-N 3.44Å; E98-R102 VanDerWaalsContact O-N 3.08Å; E98-R102 IonicContact OE1-CZ 2.61Å; E98-R102 IonicContact OE1-NH1 2.71Å; E98-R102 IonicContact OE1-NH2 3.41Å; E98-R102 PolarHBondContact OE1-NH2 3.37Å; E98-R102 IonicContact OE2-CZ 2.68Å; E98-R102 IonicContact OE2-NH1 3.22Å; E98-R102 PolarHBondContact OE2-NH1 2.61Å; E98-R102 IonicContact OE2-NH2 3.37Å; E98-R102 PolarHBondContact OE2-NH2 2.9Å |
| 99 | R | 87.2 | Confident | 89.2 | Confident | 149 Ų | 149 | 120.1 Ų | 120.1 | 56% | 0.562 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.6 | -47.5 | 170.3 | -75.1 | 169.8 | -175.5 | 150.6 | 6.1 | 111.7 | Q95 Q96 E97 R102 I103 | Q95-R99 WeakPolarHBondContact O-CB 3.31Å; Q95-R99 WeakPolarHBondContact O-CD 3.44Å; Q95-R99 WeakPolarHBondContact O-CG 3.48Å; Q95-R99 PolarHBondContact O-N 3.2Å; Q95-R99 VanDerWaalsContact O-N 3.15Å; Q96-R99 PolarHBondContact O-N 2.91Å; E97-R99 VanDerWaalsContact C-N 3.29Å; E97-R99 PolarHBondContact O-N 2.86Å; R99-R102 PolarHBondContact O-N 3.19Å; R99-I103 WeakPolarHBondContact O-CG1 3.3Å; R99-I103 PolarHBondContact O-N 3.08Å; R99-I103 VanDerWaalsContact O-N 3.1Å |
| 100 | K | 90.4 | Very high | 89.2 | Confident | 151 Ų | 151 | 118 Ų | 118 | 66% | 0.657 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -58.3 | -47.7 | 175.8 | -73.8 | 178.9 | 178.1 | -175.8 | 0 | 111 | Q96 E97 R102 I103 E104 | Q96-K100 WeakPolarHBondContact O-CG 3.46Å; Q96-K100 PolarHBondContact O-N 2.73Å; E97-K100 PolarHBondContact O-N 3.13Å; E97-K100 VanDerWaalsContact O-N 3.16Å; K100-R102 PolarHBondContact O-N 3.29Å; K100-I103 PolarHBondContact O-N 3.31Å; K100-I103 VanDerWaalsContact O-N 3.15Å; K100-E104 PolarHBondContact O-N 3.31Å |
| 101 | R | 89.8 | Confident | 89.4 | Confident | 186 Ų | 186 | 117.6 Ų | 117.6 | 70% | 0.702 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -57.9 | -45.1 | 177.6 | -174.4 | 179.5 | 176.8 | -170.1 | 0.1 | 112.4 | E97 I103 E104 E105 | E97-R101 WeakPolarHBondContact O-CB 3.48Å; E97-R101 PolarHBondContact O-N 2.89Å; R101-I103 VanDerWaalsContact C-N 3.35Å; R101-I103 PolarHBondContact O-N 2.79Å; R101-E104 PolarHBondContact O-N 2.94Å; R101-E105 VanDerWaalsContact O-CB 3.31Å; R101-E105 WeakPolarHBondContact O-CB 3.27Å; R101-E105 PolarHBondContact O-N 3.19Å |
| 102 | R | 90.3 | Very high | 89.4 | Confident | 128 Ų | 128 | 121.6 Ų | 121.6 | 48% | 0.483 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.5 | -37.7 | 176 | -76 | -179.7 | -177.4 | 109.6 | 2.4 | 113 | E98 R99 K100 M106 | E98-R102 WeakPolarHBondContact O-CG 3.41Å; E98-R102 PolarHBondContact O-N 3.44Å; E98-R102 VanDerWaalsContact O-N 3.08Å; E98-R102 IonicContact OE1-CZ 2.61Å; E98-R102 IonicContact OE1-NH1 2.71Å; E98-R102 IonicContact OE1-NH2 3.41Å; E98-R102 PolarHBondContact OE1-NH2 3.37Å; E98-R102 IonicContact OE2-CZ 2.68Å; E98-R102 IonicContact OE2-NH1 3.22Å; E98-R102 PolarHBondContact OE2-NH1 2.61Å; E98-R102 IonicContact OE2-NH2 3.37Å; E98-R102 PolarHBondContact OE2-NH2 2.9Å; R99-R102 PolarHBondContact O-N 3.19Å; K100-R102 PolarHBondContact O-N 3.29Å; R102-M106 WeakPolarHBondContact O-CB 3.43Å; R102-M106 VanDerWaalsContact O-CG 3.29Å; R102-M106 WeakPolarHBondContact O-CG 3.41Å; R102-M106 PolarHBondContact O-N 3.49Å; R102-M106 VanDerWaalsContact O-N 3.13Å |
| 103 | I | 88.4 | Confident | 89.4 | Confident | 122 Ų | 122 | 121.6 Ų | 121.6 | 63% | 0.626 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67 | -45.1 | 176.9 | -67.7 | 165.6 | 0 | 0 | 0 | 110 | R99 K100 R101 M106 R107 | R99-I103 WeakPolarHBondContact O-CG1 3.3Å; R99-I103 PolarHBondContact O-N 3.08Å; R99-I103 VanDerWaalsContact O-N 3.1Å; K100-I103 PolarHBondContact O-N 3.31Å; K100-I103 VanDerWaalsContact O-N 3.15Å; R101-I103 VanDerWaalsContact C-N 3.35Å; R101-I103 PolarHBondContact O-N 2.79Å; I103-M106 PolarHBondContact O-N 3.38Å; I103-R107 PolarHBondContact O-N 2.89Å |
| 104 | E | 91.9 | Very high | 89.8 | Confident | 79 Ų | 79 | 123.1 Ų | 123.1 | 37% | 0.369 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -69.3 | -40.4 | 179.8 | -170.7 | 52.5 | -144 | 0 | 0 | 112.3 | K100 R101 M106 R107 Q108 | K100-E104 PolarHBondContact O-N 3.31Å; R101-E104 PolarHBondContact O-N 2.94Å; E104-M106 VanDerWaalsContact C-N 3.28Å; E104-M106 PolarHBondContact O-N 3.07Å; E104-R107 CarbonylContact O-C 3.6Å; E104-R107 WeakPolarHBondContact O-CB 3.49Å; E104-R107 PolarHBondContact O-N 2.88Å; E104-R107 VanDerWaalsContact O-N 3.07Å; E104-R107 VanDerWaalsContact OE2-CD 3.25Å; E104-R107 WeakPolarHBondContact OE2-CD 3.18Å; E104-Q108 HydrophobicContact CG-CG 4.47Å; E104-Q108 WeakPolarHBondContact O-CG 3.28Å; E104-Q108 PolarHBondContact O-N 2.86Å |
| 105 | E | 90.1 | Very high | 90.2 | Very high | 115 Ų | 115 | 119.9 Ų | 119.9 | 54% | 0.537 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -57.8 | -41.6 | 172.2 | -173.7 | -172.2 | 161.3 | 0 | 0 | 111.4 | R101 K109 | R101-E105 VanDerWaalsContact O-CB 3.31Å; R101-E105 WeakPolarHBondContact O-CB 3.27Å; R101-E105 PolarHBondContact O-N 3.19Å; E105-K109 WeakPolarHBondContact O-CB 3.32Å; E105-K109 PolarHBondContact O-N 2.85Å |
| 106 | M | 86.7 | Confident | 90 | Very high | 111 Ų | 111 | 118.3 Ų | 118.3 | 55% | 0.547 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.2 | -36.3 | 174.9 | -76.8 | -66.3 | -64.5 | 0 | 0 | 112.7 | R102 I103 E104 E110 | R102-M106 WeakPolarHBondContact O-CB 3.43Å; R102-M106 VanDerWaalsContact O-CG 3.29Å; R102-M106 WeakPolarHBondContact O-CG 3.41Å; R102-M106 PolarHBondContact O-N 3.49Å; R102-M106 VanDerWaalsContact O-N 3.13Å; I103-M106 PolarHBondContact O-N 3.38Å; E104-M106 VanDerWaalsContact C-N 3.28Å; E104-M106 PolarHBondContact O-N 3.07Å; M106-E110 WeakPolarHBondContact O-CB 3.2Å; M106-E110 PolarHBondContact O-N 3.31Å |
| 107 | R | 92.9 | Very high | 90.3 | Very high | 155 Ų | 155 | 116.4 Ų | 116.4 | 59% | 0.585 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.6 | -48 | 174.2 | -175.2 | -171.2 | 173.3 | 104.7 | -5.2 | 111.3 | I103 E104 E110 Q111 | I103-R107 PolarHBondContact O-N 2.89Å; E104-R107 CarbonylContact O-C 3.6Å; E104-R107 WeakPolarHBondContact O-CB 3.49Å; E104-R107 PolarHBondContact O-N 2.88Å; E104-R107 VanDerWaalsContact O-N 3.07Å; E104-R107 VanDerWaalsContact OE2-CD 3.25Å; E104-R107 WeakPolarHBondContact OE2-CD 3.18Å; R107-E110 WeakPolarHBondContact O-CB 3.16Å; R107-E110 PolarHBondContact O-N 3.1Å; R107-Q111 WeakPolarHBondContact O-CG 3.37Å; R107-Q111 PolarHBondContact O-N 2.94Å |
| 108 | Q | 92.9 | Very high | 90.5 | Very high | 103 Ų | 103 | 115.1 Ų | 115.1 | 48% | 0.481 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.7 | -43.3 | 176.7 | -70.5 | 178.3 | 4.1 | 0 | 0 | 111.7 | E104 E110 Q111 M112 | E104-Q108 HydrophobicContact CG-CG 4.47Å; E104-Q108 WeakPolarHBondContact O-CG 3.28Å; E104-Q108 PolarHBondContact O-N 2.86Å; Q108-E110 VanDerWaalsContact C-N 3.28Å; Q108-E110 PolarHBondContact O-N 3.37Å; Q108-Q111 PolarHBondContact O-N 3.35Å; Q108-M112 WeakPolarHBondContact O-CB 3.43Å; Q108-M112 WeakPolarHBondContact O-CG 3.35Å; Q108-M112 PolarHBondContact O-N 2.71Å |
| 109 | K | 89.4 | Confident | 90.7 | Very high | 118 Ų | 118 | 117.3 Ų | 117.3 | 51% | 0.513 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.1 | -37.4 | 174.8 | -172.2 | 171.7 | -171.8 | 167.9 | 0 | 112 | E105 R113 | E105-K109 WeakPolarHBondContact O-CB 3.32Å; E105-K109 PolarHBondContact O-N 2.85Å; K109-R113 WeakPolarHBondContact O-CG 3.47Å; K109-R113 PolarHBondContact O-N 2.81Å |
| 110 | E | 90.4 | Very high | 90.9 | Very high | 58 Ų | 58 | 119 Ų | 119 | 27% | 0.271 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -70.2 | -40.7 | 173.4 | 176.2 | 56.4 | -164 | 0 | 0 | 112.6 | M106 R107 Q108 R113 R114 | M106-E110 WeakPolarHBondContact O-CB 3.2Å; M106-E110 PolarHBondContact O-N 3.31Å; R107-E110 WeakPolarHBondContact O-CB 3.16Å; R107-E110 PolarHBondContact O-N 3.1Å; Q108-E110 VanDerWaalsContact C-N 3.28Å; Q108-E110 PolarHBondContact O-N 3.37Å; E110-R113 PolarHBondContact O-N 3.03Å; E110-R113 IonicContact OE2-CZ 3.54Å; E110-R113 VanDerWaalsContact OE2-CZ 3.24Å; E110-R113 IonicContact OE2-NE 3.24Å; E110-R113 PolarHBondContact OE2-NE 3.32Å; E110-R113 IonicContact OE2-NH2 3.89Å; E110-R113 PolarHBondContact OE2-NH2 3.14Å; E110-R114 WeakPolarHBondContact O-CG 3.3Å; E110-R114 PolarHBondContact O-N 3.01Å; E110-R114 IonicContact OE1-CZ 2.66Å; E110-R114 IonicContact OE1-NE 3.56Å; E110-R114 PolarHBondContact OE1-NE 3.29Å; E110-R114 IonicContact OE1-NH2 2.59Å; E110-R114 PolarHBondContact OE1-NH2 3.04Å |
| 111 | Q | 90.8 | Very high | 90.9 | Very high | 88 Ų | 88 | 120 Ų | 120 | 41% | 0.411 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60 | -45.3 | 171.7 | -73.7 | 172.4 | -44 | 0 | 0 | 111.5 | R107 Q108 R113 R114 L115 | R107-Q111 WeakPolarHBondContact O-CG 3.37Å; R107-Q111 PolarHBondContact O-N 2.94Å; Q108-Q111 PolarHBondContact O-N 3.35Å; Q111-R113 VanDerWaalsContact C-N 3.34Å; Q111-R113 PolarHBondContact O-N 3.33Å; Q111-R114 WeakPolarHBondContact O-CB 3.32Å; Q111-R114 PolarHBondContact O-N 3.5Å; Q111-R114 VanDerWaalsContact O-N 3.12Å; Q111-L115 WeakPolarHBondContact O-CG 3.36Å; Q111-L115 PolarHBondContact O-N 3.22Å |
| 112 | M | 89.7 | Confident | 91.1 | Very high | 128 Ų | 128 | 113.9 Ų | 113.9 | 63% | 0.631 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.5 | -39 | 175.2 | -73.6 | -60.9 | -66.1 | 0 | 0 | 112.5 | Q108 L115 S116 | Q108-M112 WeakPolarHBondContact O-CB 3.43Å; Q108-M112 WeakPolarHBondContact O-CG 3.35Å; Q108-M112 PolarHBondContact O-N 2.71Å; M112-L115 HydrophobicContact SD-CD1 4.5Å; M112-S116 VanDerWaalsContact O-CB 3.31Å; M112-S116 WeakPolarHBondContact O-CB 3.39Å; M112-S116 PolarHBondContact O-N 2.69Å |
| 113 | R | 89.4 | Confident | 91.3 | Very high | 134 Ų | 134 | 110.7 Ų | 110.7 | 51% | 0.506 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 171.9 | -76.6 | -169.4 | -61.9 | -138.1 | -0.2 | 112 | K109 E110 Q111 A117 | K109-R113 WeakPolarHBondContact O-CG 3.47Å; K109-R113 PolarHBondContact O-N 2.81Å; E110-R113 PolarHBondContact O-N 3.03Å; E110-R113 IonicContact OE2-CZ 3.54Å; E110-R113 VanDerWaalsContact OE2-CZ 3.24Å; E110-R113 IonicContact OE2-NE 3.24Å; E110-R113 PolarHBondContact OE2-NE 3.32Å; E110-R113 IonicContact OE2-NH2 3.89Å; E110-R113 PolarHBondContact OE2-NH2 3.14Å; Q111-R113 VanDerWaalsContact C-N 3.34Å; Q111-R113 PolarHBondContact O-N 3.33Å; R113-A117 VanDerWaalsContact O-CB 3.32Å; R113-A117 WeakPolarHBondContact O-CB 3.39Å; R113-A117 PolarHBondContact O-N 3.32Å |
| 114 | R | 91.4 | Very high | 91.5 | Very high | 155 Ų | 155 | 109.7 Ų | 109.7 | 59% | 0.585 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.1 | -46.4 | 176.9 | -69.8 | 172.2 | -172.8 | -163.4 | 1.2 | 111.9 | E110 Q111 A117 L118 | E110-R114 WeakPolarHBondContact O-CG 3.3Å; E110-R114 PolarHBondContact O-N 3.01Å; E110-R114 IonicContact OE1-CZ 2.66Å; E110-R114 IonicContact OE1-NE 3.56Å; E110-R114 PolarHBondContact OE1-NE 3.29Å; E110-R114 IonicContact OE1-NH2 2.59Å; E110-R114 PolarHBondContact OE1-NH2 3.04Å; Q111-R114 WeakPolarHBondContact O-CB 3.32Å; Q111-R114 PolarHBondContact O-N 3.5Å; Q111-R114 VanDerWaalsContact O-N 3.12Å; R114-A117 PolarHBondContact O-N 2.89Å; R114-L118 WeakPolarHBondContact O-CG 3.32Å; R114-L118 PolarHBondContact O-N 3.31Å |
| 115 | L | 92.8 | Very high | 91.5 | Very high | 106 Ų | 106 | 110.6 Ų | 110.6 | 56% | 0.555 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.3 | -47.2 | 177.1 | -69.9 | 175.9 | 0 | 0 | 0 | 111.3 | Q111 M112 A117 L118 E119 | Q111-L115 WeakPolarHBondContact O-CG 3.36Å; Q111-L115 PolarHBondContact O-N 3.22Å; M112-L115 HydrophobicContact SD-CD1 4.5Å; L115-A117 VanDerWaalsContact C-N 3.31Å; L115-A117 PolarHBondContact O-N 3.36Å; L115-L118 PolarHBondContact O-N 3.15Å; L115-L118 VanDerWaalsContact O-N 3.16Å; L115-E119 WeakPolarHBondContact O-CB 3.5Å; L115-E119 PolarHBondContact O-N 2.91Å |
| 116 | S | 89.7 | Confident | 91.7 | Very high | 70 Ų | 70 | 110.7 Ų | 110.7 | 49% | 0.49 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.9 | -35.1 | 176.3 | -176 | 0 | 0 | 0 | 0 | 112.9 | M112 R120 | M112-S116 VanDerWaalsContact O-CB 3.31Å; M112-S116 WeakPolarHBondContact O-CB 3.39Å; M112-S116 PolarHBondContact O-N 2.69Å; S116-R120 VanDerWaalsContact O-CB 3.28Å; S116-R120 WeakPolarHBondContact O-CB 3.33Å; S116-R120 PolarHBondContact O-N 3.32Å |
| 117 | A | 95.1 | Very high | 92 | Very high | 61 Ų | 61 | 109.1 Ų | 109.1 | 50% | 0.504 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.8 | -38.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R113 R114 L115 R121 | R113-A117 VanDerWaalsContact O-CB 3.32Å; R113-A117 WeakPolarHBondContact O-CB 3.39Å; R113-A117 PolarHBondContact O-N 3.32Å; R114-A117 PolarHBondContact O-N 2.89Å; L115-A117 VanDerWaalsContact C-N 3.31Å; L115-A117 PolarHBondContact O-N 3.36Å; A117-R121 WeakPolarHBondContact O-CB 3.46Å; A117-R121 PolarHBondContact O-N 2.7Å |
| 118 | L | 93.1 | Very high | 92.1 | Very high | 105 Ų | 105 | 106 Ų | 106 | 55% | 0.55 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.9 | -43.8 | 175.2 | -72.3 | 172 | 0 | 0 | 0 | 111.9 | R114 L115 R120 R121 A122 | R114-L118 WeakPolarHBondContact O-CG 3.32Å; R114-L118 PolarHBondContact O-N 3.31Å; L115-L118 PolarHBondContact O-N 3.15Å; L115-L118 VanDerWaalsContact O-N 3.16Å; L118-R120 PolarHBondContact O-N 3.09Å; L118-R121 WeakPolarHBondContact O-CB 3.22Å; L118-R121 PolarHBondContact O-N 2.96Å; L118-R121 VanDerWaalsContact O-N 3.16Å; L118-A122 WeakPolarHBondContact O-CB 3.31Å; L118-A122 PolarHBondContact O-N 3.32Å |
| 119 | E | 91.3 | Very high | 92.2 | Very high | 141 Ų | 141 | 106 Ų | 106 | 66% | 0.659 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -58.4 | -47.4 | 173.6 | -177.5 | -174.2 | -164.5 | 0 | 0 | 110.9 | L115 R121 A122 A123 | L115-E119 WeakPolarHBondContact O-CB 3.5Å; L115-E119 PolarHBondContact O-N 2.91Å; E119-R121 VanDerWaalsContact C-N 3.31Å; E119-R121 PolarHBondContact O-N 3.03Å; E119-A122 PolarHBondContact O-N 3.48Å; E119-A123 WeakPolarHBondContact O-CB 3.43Å; E119-A123 PolarHBondContact O-N 3.15Å |
| 120 | R | 92.4 | Very high | 92.4 | Very high | 186 Ų | 186 | 102.9 Ų | 102.9 | 70% | 0.702 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.7 | -37.6 | 175.3 | -175.2 | 176.5 | -179.8 | 179.3 | 0.5 | 112.4 | S116 L118 L124 | S116-R120 VanDerWaalsContact O-CB 3.28Å; S116-R120 WeakPolarHBondContact O-CB 3.33Å; S116-R120 PolarHBondContact O-N 3.32Å; L118-R120 PolarHBondContact O-N 3.09Å; R120-L124 HydrophobicContact CG-CD1 4.44Å; R120-L124 WeakPolarHBondContact O-CG 3.29Å; R120-L124 PolarHBondContact O-N 3.04Å; R120-L124 VanDerWaalsContact O-N 3.12Å |
| 121 | R | 90.8 | Very high | 92.6 | Very high | 170 Ų | 170 | 108.3 Ų | 108.3 | 64% | 0.642 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65 | -47.6 | 174.6 | -178.6 | 178.7 | 175.6 | 169.6 | 0.2 | 110.9 | A117 L118 E119 A123 L124 E125 | A117-R121 WeakPolarHBondContact O-CB 3.46Å; A117-R121 PolarHBondContact O-N 2.7Å; L118-R121 WeakPolarHBondContact O-CB 3.22Å; L118-R121 PolarHBondContact O-N 2.96Å; L118-R121 VanDerWaalsContact O-N 3.16Å; E119-R121 VanDerWaalsContact C-N 3.31Å; E119-R121 PolarHBondContact O-N 3.03Å; R121-A123 VanDerWaalsContact C-N 3.35Å; R121-A123 PolarHBondContact O-N 3.1Å; R121-L124 PolarHBondContact O-N 3.25Å; R121-E125 WeakPolarHBondContact O-CB 3.47Å; R121-E125 PolarHBondContact O-N 2.94Å |
| 122 | A | 93.3 | Very high | 92.7 | Very high | 59 Ų | 59 | 109.5 Ų | 109.5 | 49% | 0.488 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.1 | -40.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L118 E119 E125 L126 | L118-A122 WeakPolarHBondContact O-CB 3.31Å; L118-A122 PolarHBondContact O-N 3.32Å; E119-A122 PolarHBondContact O-N 3.48Å; A122-E125 PolarHBondContact O-N 2.83Å; A122-L126 WeakPolarHBondContact O-CB 3.42Å; A122-L126 PolarHBondContact O-N 2.82Å |
| 123 | A | 93.7 | Very high | 92.9 | Very high | 60 Ų | 60 | 109.4 Ų | 109.4 | 50% | 0.496 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.6 | -40.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | E119 R121 S127 | E119-A123 WeakPolarHBondContact O-CB 3.43Å; E119-A123 PolarHBondContact O-N 3.15Å; R121-A123 VanDerWaalsContact C-N 3.35Å; R121-A123 PolarHBondContact O-N 3.1Å; A123-S127 WeakPolarHBondContact O-CB 3.42Å; A123-S127 PolarHBondContact O-N 3.13Å |
| 124 | L | 93.1 | Very high | 93 | Very high | 101 Ų | 101 | 111.1 Ų | 111.1 | 53% | 0.529 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.9 | -38.1 | 173.6 | -73 | 171.3 | 0 | 0 | 0 | 111.9 | R120 R121 S127 N128 | R120-L124 HydrophobicContact CG-CD1 4.44Å; R120-L124 WeakPolarHBondContact O-CG 3.29Å; R120-L124 PolarHBondContact O-N 3.04Å; R120-L124 VanDerWaalsContact O-N 3.12Å; R121-L124 PolarHBondContact O-N 3.25Å; L124-S127 PolarHBondContact O-N 3.32Å; L124-N128 WeakPolarHBondContact O-CB 3.35Å; L124-N128 PolarHBondContact O-N 3Å; L124-N128 PolarHBondContact O-ND2 3.47Å |
| 125 | E | 93.1 | Very high | 93 | Very high | 98 Ų | 98 | 107.8 Ų | 107.8 | 46% | 0.458 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.8 | -47.2 | 176.7 | -170 | 166.9 | 164.8 | 0 | 0 | 111.5 | R121 A122 S127 N128 Q129 | R121-E125 WeakPolarHBondContact O-CB 3.47Å; R121-E125 PolarHBondContact O-N 2.94Å; A122-E125 PolarHBondContact O-N 2.83Å; E125-S127 VanDerWaalsContact C-N 3.32Å; E125-S127 PolarHBondContact O-N 3.08Å; E125-N128 CarbonylContact O-C 3.55Å; E125-N128 PolarHBondContact O-N 3.35Å; E125-N128 VanDerWaalsContact O-N 3.14Å; E125-Q129 WeakPolarHBondContact O-CG 3.37Å; E125-Q129 PolarHBondContact O-N 3.3Å |
| 126 | L | 94.3 | Very high | 92.9 | Very high | 118 Ų | 118 | 111.8 Ų | 111.8 | 62% | 0.618 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -59.4 | -40.8 | 174.2 | -173.2 | 68.5 | 0 | 0 | 0 | 112 | A122 Q129 A130 | A122-L126 WeakPolarHBondContact O-CB 3.42Å; A122-L126 PolarHBondContact O-N 2.82Å; L126-Q129 PolarHBondContact O-N 2.85Å; L126-A130 WeakPolarHBondContact O-CB 3.45Å; L126-A130 PolarHBondContact O-N 2.91Å |
| 127 | S | 91.7 | Very high | 92.9 | Very high | 78 Ų | 78 | 113.9 Ų | 113.9 | 55% | 0.545 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.3 | -39.5 | 175.3 | -170.7 | 0 | 0 | 0 | 0 | 112.5 | A123 L124 E125 R131 | A123-S127 WeakPolarHBondContact O-CB 3.42Å; A123-S127 PolarHBondContact O-N 3.13Å; L124-S127 PolarHBondContact O-N 3.32Å; E125-S127 VanDerWaalsContact C-N 3.32Å; E125-S127 PolarHBondContact O-N 3.08Å; S127-R131 WeakPolarHBondContact O-CB 3.2Å; S127-R131 PolarHBondContact O-N 3.38Å |
| 128 | N | 94.6 | Very high | 92.7 | Very high | 88 Ų | 88 | 117.2 Ų | 117.2 | 47% | 0.471 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -68.2 | -41.4 | 174.4 | -76.7 | -35.5 | 0 | 0 | 0 | 112 | L124 E125 R131 I132 | L124-N128 WeakPolarHBondContact O-CB 3.35Å; L124-N128 PolarHBondContact O-N 3Å; L124-N128 PolarHBondContact O-ND2 3.47Å; E125-N128 CarbonylContact O-C 3.55Å; E125-N128 PolarHBondContact O-N 3.35Å; E125-N128 VanDerWaalsContact O-N 3.14Å; N128-R131 WeakPolarHBondContact O-CB 3.37Å; N128-R131 PolarHBondContact O-N 2.99Å; N128-I132 VanDerWaalsContact O-CG1 3.28Å; N128-I132 WeakPolarHBondContact O-CG1 3.49Å; N128-I132 PolarHBondContact O-N 2.86Å |
| 129 | Q | 95.5 | Very high | 92.5 | Very high | 103 Ų | 103 | 115.4 Ų | 115.4 | 48% | 0.481 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.2 | -50.1 | 174.1 | -72.8 | 176.8 | 7.2 | 0 | 0 | 110.8 | E125 L126 R131 I132 E133 | E125-Q129 WeakPolarHBondContact O-CG 3.37Å; E125-Q129 PolarHBondContact O-N 3.3Å; L126-Q129 PolarHBondContact O-N 2.85Å; Q129-R131 VanDerWaalsContact C-N 3.27Å; Q129-R131 PolarHBondContact O-N 3.36Å; Q129-I132 CarbonylContact O-C 3.56Å; Q129-I132 PolarHBondContact O-N 2.98Å; Q129-E133 WeakPolarHBondContact O-CB 3.23Å; Q129-E133 PolarHBondContact O-N 3.16Å |
| 130 | A | 94 | Very high | 92.2 | Very high | 53 Ų | 53 | 111.2 Ų | 111.2 | 44% | 0.438 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61 | -33.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | L126 R134 | L126-A130 WeakPolarHBondContact O-CB 3.45Å; L126-A130 PolarHBondContact O-N 2.91Å; A130-R134 VanDerWaalsContact O-CB 3.31Å; A130-R134 WeakPolarHBondContact O-CB 3.46Å; A130-R134 PolarHBondContact O-N 2.94Å |
| 131 | R | 94.4 | Very high | 91.7 | Very high | 172 Ų | 172 | 107.3 Ų | 107.3 | 65% | 0.649 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.7 | -42.5 | 172 | 179 | -177.6 | 174.8 | -174.6 | -0.7 | 111.9 | S127 N128 Q129 L135 | S127-R131 WeakPolarHBondContact O-CB 3.2Å; S127-R131 PolarHBondContact O-N 3.38Å; N128-R131 WeakPolarHBondContact O-CB 3.37Å; N128-R131 PolarHBondContact O-N 2.99Å; Q129-R131 VanDerWaalsContact C-N 3.27Å; Q129-R131 PolarHBondContact O-N 3.36Å; R131-L135 WeakPolarHBondContact O-CG 3.31Å; R131-L135 PolarHBondContact O-N 3.25Å; R131-L135 VanDerWaalsContact O-N 3.14Å |
| 132 | I | 94 | Very high | 91.2 | Very high | 114 Ų | 114 | 106.8 Ų | 106.8 | 59% | 0.585 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -67.2 | -43.4 | 177.2 | -68.7 | 162.3 | 0 | 0 | 0 | 110.3 | N128 Q129 L135 R136 | N128-I132 VanDerWaalsContact O-CG1 3.28Å; N128-I132 WeakPolarHBondContact O-CG1 3.49Å; N128-I132 PolarHBondContact O-N 2.86Å; Q129-I132 CarbonylContact O-C 3.56Å; Q129-I132 PolarHBondContact O-N 2.98Å; I132-L135 CarbonylContact O-C 3.59Å; I132-L135 WeakPolarHBondContact O-CA 3.43Å; I132-L135 WeakPolarHBondContact O-CB 3.47Å; I132-L135 PolarHBondContact O-N 2.9Å; I132-L135 VanDerWaalsContact O-N 3.12Å; I132-R136 PolarHBondContact O-N 2.91Å |
| 133 | E | 92.6 | Very high | 90.1 | Very high | 125 Ų | 125 | 107.1 Ų | 107.1 | 58% | 0.584 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62 | -46.7 | 177.3 | -175.6 | 169.3 | -143.5 | 0 | 0 | 111.6 | Q129 L135 R136 E137 | Q129-E133 WeakPolarHBondContact O-CB 3.23Å; Q129-E133 PolarHBondContact O-N 3.16Å; E133-L135 PolarHBondContact O-N 3.36Å; E133-R136 CarbonylContact O-C 3.6Å; E133-R136 WeakPolarHBondContact O-CA 3.27Å; E133-R136 WeakPolarHBondContact O-CB 3.45Å; E133-R136 PolarHBondContact O-N 3.41Å; E133-E137 WeakPolarHBondContact O-CB 3.39Å; E133-E137 PolarHBondContact O-N 3.45Å |
| 134 | R | 91.8 | Very high | 88.5 | Confident | 170 Ų | 170 | 106.4 Ų | 106.4 | 64% | 0.642 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -59.5 | -32.1 | 173 | 178.9 | 178.8 | -82.6 | 162.3 | -7.2 | 112.8 | A130 R138 | A130-R134 VanDerWaalsContact O-CB 3.31Å; A130-R134 WeakPolarHBondContact O-CB 3.46Å; A130-R134 PolarHBondContact O-N 2.94Å; R134-R138 VanDerWaalsContact O-CB 3.23Å; R134-R138 WeakPolarHBondContact O-CB 3.3Å; R134-R138 PolarHBondContact O-N 3.5Å; R134-R138 VanDerWaalsContact O-N 3.12Å |
| 135 | L | 91.7 | Very high | 87 | Confident | 86 Ų | 86 | 107.9 Ų | 107.9 | 45% | 0.45 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -73.8 | -36.8 | 172.2 | -73.2 | 171.8 | 0 | 0 | 0 | 111.9 | R131 I132 E133 S139 | R131-L135 WeakPolarHBondContact O-CG 3.31Å; R131-L135 PolarHBondContact O-N 3.25Å; R131-L135 VanDerWaalsContact O-N 3.14Å; I132-L135 CarbonylContact O-C 3.59Å; I132-L135 WeakPolarHBondContact O-CA 3.43Å; I132-L135 WeakPolarHBondContact O-CB 3.47Å; I132-L135 PolarHBondContact O-N 2.9Å; I132-L135 VanDerWaalsContact O-N 3.12Å; E133-L135 PolarHBondContact O-N 3.36Å; L135-S139 WeakPolarHBondContact O-CB 3.49Å; L135-S139 PolarHBondContact O-N 3.31Å; L135-S139 PolarHBondContact O-OG 3.45Å |
| 136 | R | 90.5 | Very high | 85.3 | Confident | 189 Ų | 189 | 107.9 Ų | 107.9 | 71% | 0.713 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.4 | -48.4 | 175.8 | -164.2 | -179.8 | 88.5 | 148.8 | 3.6 | 111.2 | I132 E133 S139 A140 | I132-R136 PolarHBondContact O-N 2.91Å; E133-R136 CarbonylContact O-C 3.6Å; E133-R136 WeakPolarHBondContact O-CA 3.27Å; E133-R136 WeakPolarHBondContact O-CB 3.45Å; E133-R136 PolarHBondContact O-N 3.41Å; R136-S139 CarbonylContact O-C 3.54Å; R136-S139 WeakPolarHBondContact O-CA 3.35Å; R136-S139 WeakPolarHBondContact O-CB 3.45Å; R136-S139 PolarHBondContact O-N 2.72Å; R136-A140 PolarHBondContact O-N 3.18Å |
| 137 | E | 89.9 | Confident | 83.5 | Confident | 115 Ų | 115 | 105.8 Ų | 105.8 | 54% | 0.537 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.4 | -49.4 | 174.9 | -175.8 | -171.8 | -157.9 | 0 | 0 | 111.3 | E133 S139 A140 N141 | E133-E137 WeakPolarHBondContact O-CB 3.39Å; E133-E137 PolarHBondContact O-N 3.45Å; E137-S139 PolarHBondContact O-N 3.03Å; E137-S139 VanDerWaalsContact O-N 3.16Å; E137-A140 PolarHBondContact O-N 3.17Å; E137-A140 VanDerWaalsContact O-N 3.14Å; E137-N141 WeakPolarHBondContact O-CB 3.22Å; E137-N141 VanDerWaalsContact O-CG 3.27Å; E137-N141 PolarHBondContact O-N 2.99Å; E137-N141 PolarHBondContact O-OD1 3.28Å |
| 138 | R | 90.5 | Very high | 81.8 | Confident | 131 Ų | 131 | 108.8 Ų | 108.8 | 49% | 0.494 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -57.5 | -31.5 | 173.5 | -175.2 | -176.5 | -65 | 179.3 | -3.6 | 112.5 | R134 R142 | R134-R138 VanDerWaalsContact O-CB 3.23Å; R134-R138 WeakPolarHBondContact O-CB 3.3Å; R134-R138 PolarHBondContact O-N 3.5Å; R134-R138 VanDerWaalsContact O-N 3.12Å; R138-R142 WeakPolarHBondContact O-CD 3.49Å; R138-R142 WeakPolarHBondContact O-CG 3.36Å; R138-R142 PolarHBondContact O-N 3.41Å |
| 139 | S | 88.6 | Confident | 79.9 | Confident | 66 Ų | 66 | 114.6 Ų | 114.6 | 46% | 0.462 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -79.2 | -37.6 | 177.8 | -56.9 | 0 | 0 | 0 | 0 | 112.3 | L135 R136 E137 R142 S143 | L135-S139 WeakPolarHBondContact O-CB 3.49Å; L135-S139 PolarHBondContact O-N 3.31Å; L135-S139 PolarHBondContact O-OG 3.45Å; R136-S139 CarbonylContact O-C 3.54Å; R136-S139 WeakPolarHBondContact O-CA 3.35Å; R136-S139 WeakPolarHBondContact O-CB 3.45Å; R136-S139 PolarHBondContact O-N 2.72Å; E137-S139 PolarHBondContact O-N 3.03Å; E137-S139 VanDerWaalsContact O-N 3.16Å; S139-R142 CarbonylContact O-C 3.58Å; S139-R142 WeakPolarHBondContact O-CB 3.45Å; S139-R142 PolarHBondContact O-N 3.48Å; S139-S143 PolarHBondContact O-N 2.84Å |
| 140 | A | 85.1 | Confident | 78.1 | Confident | 53 Ų | 53 | 117.5 Ų | 117.5 | 44% | 0.438 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.7 | -43.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | R136 E137 R142 S143 G144 | R136-A140 PolarHBondContact O-N 3.18Å; E137-A140 PolarHBondContact O-N 3.17Å; E137-A140 VanDerWaalsContact O-N 3.14Å; A140-R142 PolarHBondContact O-N 2.92Å; A140-S143 WeakPolarHBondContact CA-OG 3.47Å; A140-S143 PolarHBondContact O-N 2.93Å; A140-S143 VanDerWaalsContact O-N 3.1Å; A140-S143 PolarHBondContact O-OG 3.2Å; A140-G144 PolarHBondContact O-N 3Å; A140-G144 VanDerWaalsContact O-N 3.07Å |
| 141 | N | 82.4 | Confident | 76.4 | Confident | 105 Ų | 105 | 121.4 Ų | 121.4 | 56% | 0.561 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -66 | -25.3 | 175.6 | -63.4 | -5.1 | 0 | 0 | 0 | 111.9 | E137 | E137-N141 WeakPolarHBondContact O-CB 3.22Å; E137-N141 VanDerWaalsContact O-CG 3.27Å; E137-N141 PolarHBondContact O-N 2.99Å; E137-N141 PolarHBondContact O-OD1 3.28Å |
| 142 | R | 81.3 | Confident | 74.4 | Confident | 158 Ų | 158 | 120.4 Ų | 120.4 | 60% | 0.596 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -79.7 | -34.2 | 170.8 | -75.3 | 168.1 | 175.8 | -168.1 | -4.6 | 112.9 | R138 S139 A140 N146 | R138-R142 WeakPolarHBondContact O-CD 3.49Å; R138-R142 WeakPolarHBondContact O-CG 3.36Å; R138-R142 PolarHBondContact O-N 3.41Å; S139-R142 CarbonylContact O-C 3.58Å; S139-R142 WeakPolarHBondContact O-CB 3.45Å; S139-R142 PolarHBondContact O-N 3.48Å; A140-R142 PolarHBondContact O-N 2.92Å; R142-N146 PolarHBondContact O-N 3.49Å; R142-N146 PolarHBondContact O-ND2 3.22Å |
| 143 | S | 68.5 | Low | 72.7 | Confident | 67 Ų | 67 | 117.9 Ų | 117.9 | 47% | 0.469 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -72.1 | -37.3 | 179.5 | 60.1 | 0 | 0 | 0 | 0 | 112 | S139 A140 N145 N146 T147 | S139-S143 PolarHBondContact O-N 2.84Å; A140-S143 WeakPolarHBondContact CA-OG 3.47Å; A140-S143 PolarHBondContact O-N 2.93Å; A140-S143 VanDerWaalsContact O-N 3.1Å; A140-S143 PolarHBondContact O-OG 3.2Å; S143-N145 VanDerWaalsContact C-N 3.28Å; S143-N145 PolarHBondContact O-N 3.39Å; S143-N146 PolarHBondContact O-N 2.94Å; S143-T147 PolarHBondContact O-N 2.83Å; S143-T147 PolarHBondContact O-OG1 3.37Å |
| 144 | G | 61.9 | Low | 71 | Confident | 44 Ų | 44 | 118.3 Ų | 118.3 | 45% | 0.454 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -57 | -35.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | A140 T147 | A140-G144 PolarHBondContact O-N 3Å; A140-G144 VanDerWaalsContact O-N 3.07Å; G144-T147 PolarHBondContact O-OG1 2.95Å; G144-T147 VanDerWaalsContact O-OG1 3.04Å |
| 145 | N | 59.6 | Low | 69.2 | Low | 132 Ų | 132 | 117.6 Ų | 117.6 | 71% | 0.706 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -82.4 | -19.1 | 175.2 | -74.9 | -21.8 | 0 | 0 | 0 | 113.7 | S143 | S143-N145 VanDerWaalsContact C-N 3.28Å; S143-N145 PolarHBondContact O-N 3.39Å |
| 146 | N | 59 | Low | 67.4 | Low | 98 Ų | 98 | 120 Ų | 120 | 52% | 0.524 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -91.3 | -22.8 | 179 | -81.8 | -71.1 | 0 | 0 | 0 | 113.4 | R142 S143 R150 | R142-N146 PolarHBondContact O-N 3.49Å; R142-N146 PolarHBondContact O-ND2 3.22Å; S143-N146 PolarHBondContact O-N 2.94Å; N146-R150 VanDerWaalsContact O-CB 3.22Å; N146-R150 WeakPolarHBondContact O-CB 3.36Å; N146-R150 PolarHBondContact O-N 3.45Å |
| 147 | T | 56.4 | Low | 65.6 | Low | 75 Ų | 75 | 119 Ų | 119 | 46% | 0.46 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64.6 | -46.2 | 173.8 | 43.8 | 0 | 0 | 0 | 0 | 111.3 | S143 G144 R149 R150 Q151 | S143-T147 PolarHBondContact O-N 2.83Å; S143-T147 PolarHBondContact O-OG1 3.37Å; G144-T147 PolarHBondContact O-OG1 2.95Å; G144-T147 VanDerWaalsContact O-OG1 3.04Å; T147-R149 PolarHBondContact O-N 2.95Å; T147-R150 PolarHBondContact O-N 3.26Å; T147-Q151 WeakPolarHBondContact O-CB 3.47Å; T147-Q151 WeakPolarHBondContact O-CG 3.45Å; T147-Q151 PolarHBondContact O-N 2.9Å |
| 148 | F | 55 | Low | 63.7 | Low | 141 Ų | 141 | 119.4 Ų | 119.4 | 62% | 0.618 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -59.9 | -46.8 | 176.1 | -130.3 | -102 | 0 | 0 | 0 | 111.3 | R150 Q151 F152 | F148-R150 VanDerWaalsContact C-N 3.34Å; F148-R150 PolarHBondContact O-N 3.49Å; F148-Q151 PolarHBondContact O-N 3.13Å; F148-F152 HydrophobicContact CD1-CD2 4.33Å; F148-F152 AromaticContact CD1-CE2 3.76Å; F148-F152 HydrophobicContact CD1-CE2 3.76Å; F148-F152 AromaticContact CE1-CE2 3.66Å; F148-F152 HydrophobicContact CE1-CE2 3.66Å; F148-F152 HydrophobicContact CE1-CZ 4.4Å; F148-F152 HydrophobicContact CZ-CE2 4.42Å; F148-F152 VanDerWaalsContact O-CD2 3.28Å; F148-F152 WeakPolarHBondContact O-CD2 3.26Å |
| 149 | R | 55.7 | Low | 61.8 | Low | 210 Ų | 210 | 116.3 Ų | 116.3 | 79% | 0.792 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -69.7 | -28 | -179.4 | -145.7 | -176.6 | -160.2 | -141.1 | 5.1 | 113.8 | T147 | T147-R149 PolarHBondContact O-N 2.95Å |
| 150 | R | 58 | Low | 59.8 | Low | 164 Ų | 164 | 124.9 Ų | 124.9 | 62% | 0.619 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -79.7 | -38.5 | 175.9 | -172 | 178.5 | -72.2 | -94.1 | 5.1 | 111.9 | N146 T147 F148 F152 A153 E154 | N146-R150 VanDerWaalsContact O-CB 3.22Å; N146-R150 WeakPolarHBondContact O-CB 3.36Å; N146-R150 PolarHBondContact O-N 3.45Å; T147-R150 PolarHBondContact O-N 3.26Å; F148-R150 VanDerWaalsContact C-N 3.34Å; F148-R150 PolarHBondContact O-N 3.49Å; R150-F152 VanDerWaalsContact C-N 3.28Å; R150-F152 PolarHBondContact O-N 2.84Å; R150-A153 PolarHBondContact O-N 3.41Å; R150-E154 HydrophobicContact CG-CG 3.88Å; R150-E154 IonicContact NH1-OE1 2.91Å; R150-E154 PolarHBondContact NH1-OE1 2.86Å; R150-E154 VanDerWaalsContact O-CG 3.26Å; R150-E154 WeakPolarHBondContact O-CG 3.45Å; R150-E154 PolarHBondContact O-N 3.19Å; R150-E154 VanDerWaalsContact O-N 3.16Å |
| 151 | Q | 57.7 | Low | 57.9 | Low | 135 Ų | 135 | 129.3 Ų | 129.3 | 63% | 0.631 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -61 | -33.9 | 179.5 | -78.1 | 176.5 | -9.7 | 0 | 0 | 113.2 | T147 F148 | T147-Q151 WeakPolarHBondContact O-CB 3.47Å; T147-Q151 WeakPolarHBondContact O-CG 3.45Å; T147-Q151 PolarHBondContact O-N 2.9Å; F148-Q151 PolarHBondContact O-N 3.13Å |
| 152 | F | 52.9 | Low | 56.3 | Low | 150 Ų | 150 | 128.2 Ų | 128.2 | 66% | 0.658 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -17.7 | 172.2 | -69.1 | -71.7 | 0 | 0 | 0 | 114.5 | F148 R150 | F148-F152 HydrophobicContact CD1-CD2 4.33Å; F148-F152 AromaticContact CD1-CE2 3.76Å; F148-F152 HydrophobicContact CD1-CE2 3.76Å; F148-F152 AromaticContact CE1-CE2 3.66Å; F148-F152 HydrophobicContact CE1-CE2 3.66Å; F148-F152 HydrophobicContact CE1-CZ 4.4Å; F148-F152 HydrophobicContact CZ-CE2 4.42Å; F148-F152 VanDerWaalsContact O-CD2 3.28Å; F148-F152 WeakPolarHBondContact O-CD2 3.26Å; R150-F152 VanDerWaalsContact C-N 3.28Å; R150-F152 PolarHBondContact O-N 2.84Å |
| 153 | A | 57.9 | Low | 54.9 | Low | 62 Ų | 62 | 126.1 Ų | 126.1 | 51% | 0.512 | 67% | 0.673 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.5 | -21 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | R150 | R150-A153 PolarHBondContact O-N 3.41Š|
| 154 | E | 56.3 | Low | 53.9 | Low | 134 Ų | 134 | 127.9 Ų | 127.9 | 63% | 0.626 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -86.1 | -5.5 | -175.4 | -61 | -88.6 | 163.6 | 0 | 0 | 113.2 | R150 | R150-E154 HydrophobicContact CG-CG 3.88Å; R150-E154 IonicContact NH1-OE1 2.91Å; R150-E154 PolarHBondContact NH1-OE1 2.86Å; R150-E154 VanDerWaalsContact O-CG 3.26Å; R150-E154 WeakPolarHBondContact O-CG 3.45Å; R150-E154 PolarHBondContact O-N 3.19Å; R150-E154 VanDerWaalsContact O-N 3.16Å |
| 155 | H | 54.6 | Low | 53.1 | Low | 154 Ų | 154 | 131.4 Ų | 131.4 | 71% | 0.713 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -98.6 | -10.4 | -170.1 | -142.4 | -56.9 | 0 | 0 | 0 | 116.1 | ||
| 156 | D | 54.4 | Low | 53 | Low | 137 Ų | 137 | 131.3 Ų | 131.3 | 73% | 0.733 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -100.7 | 10.3 | -174.6 | -83.8 | -22.8 | 0 | 0 | 0 | 114.8 | ||
| 157 | H | 52.8 | Low | 52.6 | Low | 169 Ų | 169 | 132.4 Ų | 132.4 | 78% | 0.782 | 73% | 0.732 | S | S | * | * | trans | -120.8 | 30.4 | -175.3 | -66.3 | -13.8 | 0 | 0 | 0 | 114.6 | G159 | H157-G159 PolarHBondContact O-N 2.9Š| ||
| 158 | S | 49.3 | Very low | 52.3 | Low | 123 Ų | 123 | 137.2 Ų | 137.2 | 86% | 0.86 | 75% | 0.753 | S | S | * | * | trans | -74.7 | 65.9 | 167 | 53.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 159 | G | 49.9 | Very low | 51.8 | Low | 66 Ų | 66 | 133.7 Ų | 133.7 | 68% | 0.68 | 76% | 0.757 | S | S | * | * | trans | 176.8 | 36.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 119.9 | H157 | H157-G159 PolarHBondContact O-N 2.9Š| ||
| 160 | R | 47.1 | Very low | 51.6 | Low | 245 Ų | 245 | 130.3 Ų | 130.3 | 93% | 0.925 | 76% | 0.76 | S | S | * | * | trans | -153.9 | 101.5 | 161.5 | -119.2 | 165.5 | -171.2 | -163.9 | 0.2 | 115 | ||||
| 161 | T | 45.8 | Very low | 51.1 | Low | 146 Ų | 146 | 127.6 Ų | 127.6 | 90% | 0.896 | 77% | 0.766 | S | S | * | * | trans | -84.5 | 122.8 | 158.1 | 43.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 162 | A | 48 | Very low | 50.6 | Low | 82 Ų | 82 | 132.2 Ų | 132.2 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | trans | 175 | 120.2 | 159.2 | 0 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 163 | S | 51 | Low | 50.6 | Low | 115 Ų | 115 | 131.4 Ų | 131.4 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | 55.1 | 137.5 | 58.9 | 82.7 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 164 | A | 48.6 | Very low | 50.3 | Low | 103 Ų | 103 | 135 Ų | 135 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | trans | 81.2 | 124.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 165 | S | 46.1 | Very low | 50.2 | Low | 119 Ų | 119 | 133.5 Ų | 133.5 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -65.1 | 173.5 | -176.2 | -50.5 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 166 | P | 56.8 | Low | 50.3 | Low | 130 Ų | 130 | 131.3 Ų | 131.3 | 84% | 0.844 | 80% | 0.8 | S | S | * | * | trans | -92.1 | 168.7 | -163.5 | 37.9 | -35.6 | 0 | 0 | 0 | 114.7 | ||||
| 167 | S | 50 | Low | 50 | Low | 121 Ų | 121 | 132.2 Ų | 132.2 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | trans | -129.9 | 152.9 | 173.1 | -169 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 168 | L | 50.1 | Low | 49.8 | Very low | 175 Ų | 175 | 132.2 Ų | 132.2 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | trans | -90.4 | 160.5 | -171.5 | -70.2 | 113 | 0 | 0 | 0 | 114.1 | ||||
| 169 | G | 45.4 | Very low | 49.8 | Very low | 68 Ų | 68 | 132.5 Ų | 132.5 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | trans | 111.1 | 144.9 | 158.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 170 | T | 50.9 | Low | 49.6 | Very low | 139 Ų | 139 | 135.3 Ų | 135.3 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | cis | -159.1 | 159.3 | -0.7 | 42 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 171 | S | 47.6 | Very low | 50 | Low | 107 Ų | 107 | 128.7 Ų | 128.7 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | trans | 63.2 | 100.8 | 150.7 | 172.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 172 | R | 48 | Very low | 50.3 | Low | 232 Ų | 232 | 127.5 Ų | 127.5 | 88% | 0.875 | 80% | 0.795 | S | S | * | * | -170.3 | 137.7 | 115.8 | -107.3 | 172.5 | 176.1 | -163.7 | -2.4 | 113.8 | |||||
| 173 | N | 51.8 | Low | 50.6 | Low | 132 Ų | 132 | 129.5 Ų | 129.5 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | trans | 60 | 106.5 | 166 | -71 | -23 | 0 | 0 | 0 | 120.2 | ||||
| 174 | P | 52.6 | Low | 50.6 | Low | 138 Ų | 138 | 130.9 Ų | 130.9 | 90% | 0.896 | 80% | 0.802 | S | S | * | * | trans | -101.3 | 25.3 | 175.4 | 40.2 | -35.7 | 0 | 0 | 0 | 115.1 | ||||
| 175 | S | 53.2 | Low | 50.5 | Low | 102 Ų | 102 | 130.2 Ų | 130.2 | 71% | 0.713 | 80% | 0.797 | S | S | * | * | trans | -109 | 8.2 | -166.3 | 62.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 176 | T | 56.6 | Low | 50.4 | Low | 108 Ų | 108 | 134.7 Ų | 134.7 | 66% | 0.663 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -129.5 | 104.5 | -169.6 | -26.7 | 0 | 0 | 0 | 0 | 112 | ||
| 177 | L | 49.5 | Very low | 49.8 | Very low | 156 Ų | 156 | 132.1 Ų | 132.1 | 82% | 0.817 | 80% | 0.799 | S | S | * | * | trans | 57.2 | 88.4 | 158.1 | -58.5 | 160.7 | 0 | 0 | 0 | 114.6 | ||||
| 178 | M | 47.5 | Very low | 50 | Low | 170 Ų | 170 | 131.5 Ų | 131.5 | 84% | 0.837 | 79% | 0.794 | S | S | * | * | 50.4 | 127.8 | 53.5 | -86.9 | -72.5 | 166.8 | 0 | 0 | 114.4 | |||||
| 179 | T | 50 | Low | 49.9 | Very low | 129 Ų | 129 | 128.9 Ų | 128.9 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | trans | 72.9 | 124 | 179.6 | 71 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 180 | T | 45.3 | Very low | 50.1 | Low | 124 Ų | 124 | 129.3 Ų | 129.3 | 76% | 0.761 | 79% | 0.788 | S | S | * | * | cis | -143 | 120.9 | -13.6 | 48.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 181 | S | 56.1 | Low | 50.4 | Low | 107 Ų | 107 | 129.3 Ų | 129.3 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | -96.3 | 119.8 | 164.6 | 51.9 | 0 | 0 | 0 | 0 | 110.1 | V183 | S181-V183 PolarHBondContact O-N 3.06Š| ||
| 182 | C | 51.8 | Low | 50.8 | Low | 121 Ų | 121 | 135 Ų | 135 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -76 | 91.8 | 174.8 | -56.4 | 0 | 0 | 0 | 0 | 109.4 | V184 | C182-V184 PolarHBondContact O-N 3.25Š| ||
| 183 | V | 54.5 | Low | 51.3 | Low | 124 Ų | 124 | 129.9 Ų | 129.9 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | trans | -68.5 | 121.9 | 173.3 | 177.7 | 0 | 0 | 0 | 0 | 109.3 | S181 A185 | S181-V183 PolarHBondContact O-N 3.06Å; V183-A185 PolarHBondContact O-N 2.99Å; V183-A185 VanDerWaalsContact O-N 3.12Å | ||
| 184 | V | 49.5 | Very low | 51.2 | Low | 143 Ų | 143 | 130 Ų | 130 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | trans | -75.5 | 97.9 | 176 | 178.7 | 0 | 0 | 0 | 0 | 109.1 | C182 | C182-V184 PolarHBondContact O-N 3.25Š| ||
| 185 | A | 47.4 | Very low | 50.8 | Low | 90 Ų | 90 | 131.2 Ų | 131.2 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | trans | -95.2 | 104.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | V183 | V183-A185 PolarHBondContact O-N 2.99Å; V183-A185 VanDerWaalsContact O-N 3.12Å | ||
| 186 | F | 44.6 | Very low | 50.7 | Low | 212 Ų | 212 | 133 Ų | 133 | 93% | 0.93 | 79% | 0.792 | S | S | * | * | trans | -71.1 | 125.7 | 170.2 | -172.5 | -90.1 | 0 | 0 | 0 | 109.2 | ||||
| 187 | G | 43.5 | Very low | 50 | Low | 77 Ų | 77 | 132.7 Ų | 132.7 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | S | Bend | trans | 152.1 | -6.4 | 171 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||
| 188 | S | 53.7 | Low | 49.7 | Very low | 107 Ų | 107 | 133 Ų | 133 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | trans | -141.4 | 129.7 | 175.3 | 60.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 189 | S | 49.5 | Very low | 49.3 | Very low | 120 Ų | 120 | 136 Ų | 136 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -64.7 | 141.6 | 172.4 | 43.4 | 0 | 0 | 0 | 0 | 111.8 | ||
| 190 | A | 49 | Very low | 48.9 | Very low | 78 Ų | 78 | 135.3 Ų | 135.3 | 65% | 0.645 | 80% | 0.799 | S | S | * | * | S | Bend | trans | 74.2 | 102.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | R192 | A190-R192 PolarHBondContact O-N 2.9Š|
| 191 | P | 56 | Low | 48.6 | Very low | 139 Ų | 139 | 135.3 Ų | 135.3 | 90% | 0.903 | 80% | 0.804 | S | S | * | * | trans | -70.7 | 112.9 | 169.2 | 29.4 | -32.5 | 0 | 0 | 0 | 110.4 | ||||
| 192 | R | 55.9 | Low | 48 | Very low | 227 Ų | 227 | 135.8 Ų | 135.8 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | trans | -90.5 | 119.7 | 166.4 | -76.2 | 178.3 | 156.7 | 144.5 | -4.9 | 109.1 | A190 I194 | A190-R192 PolarHBondContact O-N 2.9Å; R192-I194 PolarHBondContact O-N 3.46Å | ||
| 193 | S | 58.8 | Low | 47.5 | Very low | 123 Ų | 123 | 135 Ų | 135 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -71.3 | 95.7 | 167.2 | 42.7 | 0 | 0 | 0 | 0 | 109.5 | L195 | S193-L195 PolarHBondContact O-N 3.32Š| ||
| 194 | I | 51.4 | Low | 46.9 | Very low | 134 Ų | 134 | 136.6 Ų | 136.6 | 69% | 0.687 | 81% | 0.808 | S | S | * | * | trans | -74.7 | 107.2 | 175.2 | -56 | 178.1 | 0 | 0 | 0 | 108.3 | R192 I196 | R192-I194 PolarHBondContact O-N 3.46Å; I194-I196 HydrophobicContact CG2-CD1 4.42Å; I194-I196 HydrophobicContact CG2-CG1 3.71Å; I194-I196 PolarHBondContact O-N 3.48Å | ||
| 195 | L | 43.1 | Very low | 46.6 | Very low | 165 Ų | 165 | 139 Ų | 139 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | trans | -65.8 | 93.2 | 164.6 | -94.4 | 163.3 | 0 | 0 | 0 | 109.3 | S193 S197 | S193-L195 PolarHBondContact O-N 3.32Å; L195-S197 PolarHBondContact O-N 2.88Å | ||
| 196 | I | 51.8 | Low | 46.4 | Very low | 140 Ų | 140 | 140.2 Ų | 140.2 | 72% | 0.718 | 81% | 0.811 | S | S | * | * | trans | -84.1 | 105 | 169.3 | -58.5 | -175.9 | 0 | 0 | 0 | 108.3 | I194 N198 | I194-I196 HydrophobicContact CG2-CD1 4.42Å; I194-I196 HydrophobicContact CG2-CG1 3.71Å; I194-I196 PolarHBondContact O-N 3.48Å; I196-N198 PolarHBondContact O-N 2.89Å | ||
| 197 | S | 40.8 | Very low | 46.5 | Very low | 101 Ų | 101 | 137.3 Ų | 137.3 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | trans | -78 | 113.6 | 173.6 | -63.2 | 0 | 0 | 0 | 0 | 110.5 | L195 | L195-S197 PolarHBondContact O-N 2.88Š| ||
| 198 | N | 43.6 | Very low | 46.8 | Very low | 161 Ų | 161 | 142.6 Ų | 142.6 | 86% | 0.861 | 81% | 0.806 | S | S | * | * | trans | -97.1 | 111.1 | 161.6 | -99.1 | 0.9 | 0 | 0 | 0 | 110 | I196 | I196-N198 PolarHBondContact O-N 2.89Š| ||
| 199 | R | 40 | Very low | 46.3 | Very low | 235 Ų | 235 | 144.9 Ų | 144.9 | 89% | 0.887 | 81% | 0.809 | S | S | * | * | trans | -65 | 137.7 | 174 | -65.9 | 174.2 | 168.5 | -154.9 | -4 | 110.7 | ||||
| 200 | S | 40.4 | Very low | 45.9 | Very low | 114 Ų | 114 | 142.1 Ų | 142.1 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | -169.2 | 101.8 | 134.2 | -82.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 201 | S | 39.5 | Very low | 45.5 | Very low | 123 Ų | 123 | 149.3 Ų | 149.3 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | 60.6 | 77.6 | 138.4 | -50 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 202 | S | 43 | Very low | 44.7 | Very low | 118 Ų | 118 | 150.8 Ų | 150.8 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | -148.6 | 129.1 | 131.2 | 56.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 203 | S | 41.3 | Very low | 44 | Very low | 105 Ų | 105 | 146.1 Ų | 146.1 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | 18.2 | 107 | 169.6 | 59.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 204 | N | 42 | Very low | 43.1 | Very low | 156 Ų | 156 | 148.9 Ų | 148.9 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | 36.7 | 94.9 | 119.7 | -53.3 | -10.2 | 0 | 0 | 0 | 118.6 | |||||
| 205 | E | 43.3 | Very low | 42.5 | Very low | 195 Ų | 195 | 151.2 Ų | 151.2 | 91% | 0.911 | 80% | 0.8 | S | S | * | * | 175.5 | 100.3 | 111 | -96.4 | -169.6 | 124.8 | 0 | 0 | 109.3 | |||||
| 206 | C | 43.1 | Very low | 42.7 | Very low | 114 Ų | 114 | 148.4 Ų | 148.4 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | trans | -109.6 | 155.6 | 161 | -65 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 207 | D | 46.3 | Very low | 42 | Very low | 152 Ų | 152 | 151.2 Ų | 151.2 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | trans | 65.4 | 88.7 | 159.5 | -51.1 | -37 | 0 | 0 | 0 | 117.7 | ||||
| 208 | K | 49.8 | Very low | 42.1 | Very low | 187 Ų | 187 | 152.5 Ų | 152.5 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | trans | -154.2 | 125 | 143.1 | -106.8 | 154.5 | -169.1 | 173.2 | 0 | 111.2 | ||||
| 209 | I | 43.7 | Very low | 42.1 | Very low | 156 Ų | 156 | 150 Ų | 150 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | trans | 65.9 | 109 | 145 | -53.9 | 160.9 | 0 | 0 | 0 | 113.5 | ||||
| 210 | G | 41.7 | Very low | 42.1 | Very low | 61 Ų | 61 | 148.1 Ų | 148.1 | 63% | 0.629 | 79% | 0.792 | S | S | * | * | cis | 84.9 | 116.7 | 35.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 211 | R | 39.3 | Very low | 41.8 | Very low | 230 Ų | 230 | 147.9 Ų | 147.9 | 87% | 0.868 | 79% | 0.79 | S | S | * | * | trans | 72.7 | 134.6 | 163.8 | -72.2 | -175.3 | -172.9 | -127.2 | 1 | 119.8 | ||||
| 212 | F | 40.3 | Very low | 41.9 | Very low | 170 Ų | 170 | 150.1 Ų | 150.1 | 75% | 0.746 | 79% | 0.79 | S | S | * | * | trans | 88.3 | 140.3 | 143.3 | -89.1 | -121.2 | 0 | 0 | 0 | 120.9 | ||||
| 213 | N | 40.6 | Very low | 42 | Very low | 128 Ų | 128 | 150.8 Ų | 150.8 | 68% | 0.684 | 79% | 0.789 | S | S | * | * | trans | -55.9 | 147.6 | 171 | -54.2 | -67.7 | 0 | 0 | 0 | 111.5 | ||||
| 214 | H | 40.4 | Very low | 42 | Very low | 182 Ų | 182 | 149.6 Ų | 149.6 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | 178.9 | 140.6 | 107.9 | -87.7 | -65.7 | 0 | 0 | 0 | 111.2 | |||||
| 215 | H | 37.9 | Very low | 42.2 | Very low | 182 Ų | 182 | 148.1 Ų | 148.1 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | -67.7 | 178.8 | 169.1 | -70.4 | -80.4 | 0 | 0 | 0 | 112.1 | ||||
| 216 | P | 47 | Very low | 42 | Very low | 107 Ų | 107 | 143.2 Ų | 143.2 | 70% | 0.695 | 78% | 0.778 | S | S | * | * | cis | -136.2 | 176.3 | -49.3 | 38.4 | -23.9 | 0 | 0 | 0 | 112.1 | ||||
| 217 | K | 38.8 | Very low | 41.7 | Very low | 199 Ų | 199 | 145.8 Ų | 145.8 | 87% | 0.865 | 78% | 0.784 | S | S | * | * | trans | 172.9 | 173.6 | 138.6 | -97.3 | 158.2 | -174.9 | 177.8 | 0 | 112.2 | ||||
| 218 | V | 41.4 | Very low | 41.6 | Very low | 128 Ų | 128 | 146.3 Ų | 146.3 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | 91.2 | 79.9 | 163.3 | -164.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 219 | T | 43.6 | Very low | 41.2 | Very low | 109 Ų | 109 | 142.9 Ų | 142.9 | 67% | 0.669 | 79% | 0.785 | S | S | * | * | trans | 46.5 | 127.2 | 132.2 | 55.1 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 220 | K | 39.6 | Very low | 40.9 | Very low | 195 Ų | 195 | 145.5 Ų | 145.5 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | trans | 59.5 | 106.3 | 130.9 | -61 | 176 | -178.7 | -179.9 | 0 | 119.6 | ||||
| 221 | S | 36 | Very low | 40.7 | Very low | 108 Ų | 108 | 147 Ų | 147 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | -171.3 | 128.6 | 114.6 | 55.3 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 222 | I | 40.8 | Very low | 40.7 | Very low | 171 Ų | 171 | 144.2 Ų | 144.2 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | trans | -87.1 | 130.7 | 168.9 | -65.9 | 168.9 | 0 | 0 | 0 | 107.6 | ||||
| 223 | T | 45.6 | Very low | 40.8 | Very low | 131 Ų | 131 | 142 Ų | 142 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | -123.4 | 110.6 | 170.5 | -57.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 224 | A | 40.3 | Very low | 40.7 | Very low | 80 Ų | 80 | 143.6 Ų | 143.6 | 66% | 0.661 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 148.9 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 225 | P | 46.2 | Very low | 40.7 | Very low | 125 Ų | 125 | 140 Ų | 140 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 143 | -170.6 | 29.4 | -35.1 | 0 | 0 | 0 | 113 | ||
| 226 | A | 39 | Very low | 40.8 | Very low | 93 Ų | 93 | 135.6 Ų | 135.6 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 136.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 227 | N | 38.5 | Very low | 40.6 | Very low | 168 Ų | 168 | 139.6 Ų | 139.6 | 90% | 0.898 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 131 | 162 | -80.7 | -48.3 | 0 | 0 | 0 | 109.1 | ||
| 228 | I | 42.9 | Very low | 40.6 | Very low | 162 Ų | 162 | 138.7 Ų | 138.7 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 150 | -177.3 | -66.4 | 175.5 | 0 | 0 | 0 | 110.9 | ||
| 229 | S | 41.9 | Very low | 40.6 | Very low | 116 Ų | 116 | 135.7 Ų | 135.7 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 161.7 | -167.7 | 45.3 | 0 | 0 | 0 | 0 | 116.8 | ||
| 230 | K | 37.2 | Very low | 40.7 | Very low | 210 Ų | 210 | 138.1 Ų | 138.1 | 91% | 0.913 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 157.5 | 178.3 | -58.1 | 174.5 | 177.4 | 179.3 | 0 | 113.6 | ||
| 231 | A | 38.1 | Very low | 41.1 | Very low | 92 Ų | 92 | 136.6 Ų | 136.6 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | trans | -139.9 | 125.6 | 148.8 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 232 | K | 39 | Very low | 41.9 | Very low | 173 Ų | 173 | 137.6 Ų | 137.6 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | 59.6 | 130.3 | 93.7 | -113.3 | 179 | 167.7 | -117.9 | 0 | 112.3 | |||||
| 233 | E | 42 | Very low | 42 | Very low | 124 Ų | 124 | 135 Ų | 135 | 58% | 0.579 | 78% | 0.779 | S | S | * | * | cis | -170.8 | 140.9 | 27.8 | -165.5 | 148.1 | -176.3 | 0 | 0 | 113.4 | ||||
| 234 | Q | 39 | Very low | 42 | Very low | 161 Ų | 161 | 136.6 Ų | 136.6 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | trans | 58.3 | 173.7 | 152.6 | -70.1 | -159.6 | 80 | 0 | 0 | 122.4 | ||||
| 235 | T | 39.4 | Very low | 42.7 | Very low | 106 Ų | 106 | 138.2 Ų | 138.2 | 65% | 0.65 | 79% | 0.786 | S | S | * | * | cis | -167.4 | 125.6 | -38.2 | -81.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 236 | A | 40.5 | Very low | 42.1 | Very low | 89 Ų | 89 | 139.6 Ų | 139.6 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | trans | 60.8 | 157.4 | 153.2 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 237 | K | 43.7 | Very low | 42.2 | Very low | 191 Ų | 191 | 141.1 Ų | 141.1 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | cis | -171.1 | 173.3 | -17.9 | -107.9 | -177.1 | 178.2 | -179.4 | 0 | 111.1 | ||||
| 238 | L | 38.3 | Very low | 42.3 | Very low | 181 Ų | 181 | 139.1 Ų | 139.1 | 95% | 0.948 | 79% | 0.785 | S | S | * | * | trans | 94 | 139.5 | 171.5 | -53.6 | 170.8 | 0 | 0 | 0 | 115.8 | ||||
| 239 | G | 41.9 | Very low | 42 | Very low | 64 Ų | 64 | 136.3 Ų | 136.3 | 66% | 0.66 | 78% | 0.78 | S | S | * | * | cis | 171.9 | 110.8 | -12.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 240 | N | 45.7 | Very low | 41.8 | Very low | 161 Ų | 161 | 136 Ų | 136 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | trans | 72.2 | 146.5 | 150.1 | -61.2 | 0.9 | 0 | 0 | 0 | 125 | ||||
| 241 | M | 46.7 | Very low | 41.8 | Very low | 163 Ų | 163 | 132.2 Ų | 132.2 | 80% | 0.803 | 77% | 0.772 | S | S | * | * | trans | 110.1 | 90.3 | 158.7 | -53.8 | -104.7 | 63.4 | 0 | 0 | 114.6 | ||||
| 242 | V | 53 | Low | 41.8 | Very low | 128 Ų | 128 | 134.1 Ų | 134.1 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | 103.8 | 144.8 | 81 | 149.8 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 243 | P | 43.8 | Very low | 41.7 | Very low | 116 Ų | 116 | 131.1 Ų | 131.1 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | trans | -114 | 167.6 | -136.1 | 41.1 | -34.1 | 0 | 0 | 0 | 118.1 | ||||
| 244 | L | 44.1 | Very low | 41.6 | Very low | 166 Ų | 166 | 133 Ų | 133 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | trans | -78 | 157.4 | 167 | -101.7 | 71.2 | 0 | 0 | 0 | 113 | ||||
| 245 | P | 55.1 | Low | 41.6 | Very low | 113 Ų | 113 | 130.3 Ų | 130.3 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | -109.1 | 161 | 147.7 | 37.1 | -28.3 | 0 | 0 | 0 | 112.8 | ||||
| 246 | D | 35 | Very low | 41.9 | Very low | 155 Ų | 155 | 133.1 Ų | 133.1 | 83% | 0.829 | 80% | 0.802 | S | S | * | * | trans | -72.5 | 155.8 | -176.1 | -50.4 | -78.5 | 0 | 0 | 0 | 114.7 | ||||
| 247 | S | 39.9 | Very low | 41.7 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | -168.6 | 155 | 126.5 | -84.6 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 248 | T | 40.6 | Very low | 41.6 | Very low | 126 Ų | 126 | 138.7 Ų | 138.7 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | -95 | 169.5 | -163.2 | 48.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 249 | S | 36.2 | Very low | 41.5 | Very low | 102 Ų | 102 | 142 Ų | 142 | 71% | 0.713 | 81% | 0.805 | S | S | * | * | trans | 62.6 | 110.1 | 146.7 | 54.3 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 250 | S | 38.4 | Very low | 41.5 | Very low | 110 Ų | 110 | 143.4 Ų | 143.4 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | 91.2 | 97.7 | 67.3 | 171.5 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 251 | T | 36.4 | Very low | 41.4 | Very low | 130 Ų | 130 | 143.4 Ų | 143.4 | 80% | 0.798 | 79% | 0.793 | S | S | * | * | trans | -160 | 115.9 | 137.3 | 23.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 252 | C | 38.1 | Very low | 41.2 | Very low | 133 Ų | 133 | 143.4 Ų | 143.4 | 90% | 0.899 | 79% | 0.792 | S | S | * | * | trans | -127.2 | 99.4 | 160.4 | -72.3 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 253 | S | 38.6 | Very low | 41 | Very low | 109 Ų | 109 | 140.8 Ų | 140.8 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | trans | -81.9 | 112.4 | 168.6 | -57.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 254 | D | 40 | Very low | 41 | Very low | 164 Ų | 164 | 141.9 Ų | 141.9 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | trans | -120.3 | 115.3 | 162.5 | -106 | -33.7 | 0 | 0 | 0 | 109.7 | ||||
| 255 | S | 38.1 | Very low | 41.4 | Very low | 104 Ų | 104 | 140.8 Ų | 140.8 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -80 | 134.3 | 176.2 | -56.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 256 | I | 45.1 | Very low | 41.3 | Very low | 165 Ų | 165 | 139.7 Ų | 139.7 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | trans | -160.5 | 94.3 | 142.3 | -92.8 | 138 | 0 | 0 | 0 | 108.6 | ||||
| 257 | E | 37.7 | Very low | 42.3 | Very low | 164 Ų | 164 | 138.1 Ų | 138.1 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | trans | -12.6 | 124.8 | 143.5 | -176.5 | -179.9 | -150.3 | 0 | 0 | 117.1 | ||||
| 258 | R | 40.5 | Very low | 42.8 | Very low | 234 Ų | 234 | 140.8 Ų | 140.8 | 88% | 0.883 | 76% | 0.762 | S | S | * | * | -175.2 | 128.4 | 127.4 | -95.9 | 147.9 | -160.4 | -162.3 | 4.7 | 114.6 | |||||
| 259 | R | 37.4 | Very low | 43.4 | Very low | 249 Ų | 249 | 141.9 Ų | 141.9 | 94% | 0.94 | 76% | 0.759 | S | S | * | * | trans | -58.5 | 152.6 | 176.7 | -79.2 | 164.8 | 152.9 | 168.1 | -8.3 | 115.7 | ||||
| 260 | S | 41.6 | Very low | 44.2 | Very low | 95 Ų | 95 | 146.9 Ų | 146.9 | 66% | 0.664 | 76% | 0.762 | S | S | * | * | 150.7 | 99.1 | 127.2 | -165 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 261 | R | 44 | Very low | 44.7 | Very low | 160 Ų | 160 | 149.1 Ų | 149.1 | 60% | 0.604 | 76% | 0.764 | S | S | * | * | 71.5 | 125.2 | 96.5 | -74.6 | -163.2 | 161.5 | 172.8 | -5.2 | 118.1 | N644 L646 | R261-N644 PolarHBondContact NH2-O 3.48Å; R261-L646 WeakPolarHBondContact CD-O 3.16Å; R261-L646 VanDerWaalsContact NH1-N 3.17Å; R261-L646 PolarHBondContact NH1-O 3.14Å | |||
| 262 | Q | 41.9 | Very low | 45.5 | Very low | 164 Ų | 164 | 148.3 Ų | 148.3 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | trans | -104 | 168.7 | 168.4 | -81.8 | -84.8 | -19.2 | 0 | 0 | 107.6 | T645 | Q262-T645 WeakPolarHBondContact O-CG2 3.46Š| ||
| 263 | P | 49.1 | Very low | 46 | Very low | 72 Ų | 72 | 150.3 Ų | 150.3 | 47% | 0.468 | 76% | 0.758 | S | S | . | * | cis | -156.9 | -175.9 | 41.9 | 45.6 | -24.3 | 0 | 0 | 0 | 118.9 | T645 | P263-T645 HydrophobicContact CG-CG2 4.04Š| ||
| 264 | T | 43.3 | Very low | 46.4 | Very low | 140 Ų | 140 | 150.2 Ų | 150.2 | 86% | 0.859 | 76% | 0.757 | S | S | * | * | trans | -158.5 | 113.9 | 138 | -3.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 265 | I | 53.3 | Low | 46.6 | Very low | 143 Ų | 143 | 154.4 Ų | 154.4 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | trans | -88.2 | 132.5 | 177 | -77.9 | 175.3 | 0 | 0 | 0 | 110.7 | ||||
| 266 | S | 51.3 | Low | 46.8 | Very low | 90 Ų | 90 | 154.4 Ų | 154.4 | 63% | 0.629 | 76% | 0.76 | S | S | * | * | trans | -75.6 | 152.3 | -179.6 | -179.6 | 0 | 0 | 0 | 0 | 112.6 | F268 | S266-F268 PolarHBondContact O-N 2.86Š| ||
| 267 | V | 56.2 | Low | 46.6 | Very low | 122 Ų | 122 | 153 Ų | 153 | 74% | 0.739 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -64.4 | -5 | -175.2 | -140.3 | 0 | 0 | 0 | 0 | 114.5 | ||
| 268 | F | 50.7 | Low | 46.9 | Very low | 181 Ų | 181 | 151.4 Ų | 151.4 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -83.9 | -24 | -167.6 | -156.5 | -101.5 | 0 | 0 | 0 | 115.1 | S266 R270 | S266-F268 PolarHBondContact O-N 2.86Å; F268-R270 VanDerWaalsContact C-N 3.29Å; F268-R270 PolarHBondContact O-N 3.08Å |
| 269 | E | 54.3 | Low | 46.9 | Very low | 148 Ų | 148 | 146.9 Ų | 146.9 | 69% | 0.692 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -77.8 | -5.2 | -174 | -96.6 | 178.7 | 156.9 | 0 | 0 | 115.2 | L271 | E269-L271 PolarHBondContact O-N 3.42Š|
| 270 | R | 52.1 | Low | 47.2 | Very low | 208 Ų | 208 | 140.1 Ų | 140.1 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -84.9 | 0.6 | -168.9 | -135 | -179.9 | -60.7 | -136.6 | 0.2 | 115.8 | F268 | F268-R270 VanDerWaalsContact C-N 3.29Å; F268-R270 PolarHBondContact O-N 3.08Å |
| 271 | L | 48.1 | Very low | 47.1 | Very low | 156 Ų | 156 | 139.1 Ų | 139.1 | 82% | 0.817 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -113.1 | -1.4 | -167.8 | -71.2 | 172.3 | 0 | 0 | 0 | 115.9 | E269 | E269-L271 PolarHBondContact O-N 3.42Š|
| 272 | T | 54.2 | Low | 47.1 | Very low | 114 Ų | 114 | 139 Ų | 139 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -101.3 | -4.4 | -170.8 | 50.3 | 0 | 0 | 0 | 0 | 115.6 | ||
| 273 | M | 48 | Very low | 47 | Very low | 175 Ų | 175 | 138.1 Ų | 138.1 | 86% | 0.862 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -119.5 | 18 | -174.6 | -69 | -91.5 | 72.1 | 0 | 0 | 114.7 | ||
| 274 | S | 47.7 | Very low | 46.7 | Very low | 106 Ų | 106 | 140 Ų | 140 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | trans | -138.5 | 94.6 | 178.5 | -60 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 275 | R | 44.7 | Very low | 46.8 | Very low | 253 Ų | 253 | 138.5 Ų | 138.5 | 96% | 0.955 | 77% | 0.773 | S | S | * | * | trans | -140.4 | 64.2 | 168.5 | -159.2 | 170.1 | 179.2 | 177.2 | -2.2 | 111.5 | ||||
| 276 | S | 40.9 | Very low | 46.1 | Very low | 104 Ų | 104 | 139 Ų | 139 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -76.2 | 156.1 | 161.6 | 41.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 277 | V | 41.4 | Very low | 45.8 | Very low | 135 Ų | 135 | 144.4 Ų | 144.4 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -34.5 | 129.1 | 178.8 | -169.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 278 | T | 44.2 | Very low | 45.2 | Very low | 131 Ų | 131 | 143.3 Ų | 143.3 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -137.6 | 111.9 | 159.6 | 36.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 279 | T | 40.2 | Very low | 44.6 | Very low | 139 Ų | 139 | 145.3 Ų | 145.3 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | -89.1 | 113.8 | 164 | -22.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 280 | S | 44.7 | Very low | 44.3 | Very low | 107 Ų | 107 | 143.4 Ų | 143.4 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | -152.5 | 133.8 | 165.8 | 58.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 281 | G | 39.6 | Very low | 43.6 | Very low | 74 Ų | 74 | 136.5 Ų | 136.5 | 76% | 0.763 | 78% | 0.783 | S | S | * | * | trans | -91.1 | 142.7 | -180 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 282 | N | 42.9 | Very low | 43.6 | Very low | 157 Ų | 157 | 137.5 Ų | 137.5 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | trans | -112.8 | 111.7 | 168.3 | -87.4 | -19.2 | 0 | 0 | 0 | 110.2 | ||||
| 283 | V | 40.3 | Very low | 43 | Very low | 145 Ų | 145 | 137.9 Ų | 137.9 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | trans | -101.3 | 125.6 | 158.8 | 169.8 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 284 | T | 42.3 | Very low | 42.6 | Very low | 112 Ų | 112 | 135.1 Ų | 135.1 | 69% | 0.687 | 79% | 0.788 | S | S | * | * | trans | -157.6 | 122.4 | 167.6 | 0.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 285 | T | 46.1 | Very low | 42.4 | Very low | 108 Ų | 108 | 134.5 Ų | 134.5 | 66% | 0.663 | 79% | 0.79 | S | S | * | * | trans | 68.3 | 98.5 | 145.9 | 52 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 286 | N | 38.6 | Very low | 42.2 | Very low | 153 Ų | 153 | 127.8 Ų | 127.8 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | 52.7 | 112.8 | 110.5 | -55.9 | -22.4 | 0 | 0 | 0 | 120.8 | |||||
| 287 | K | 45 | Very low | 42.3 | Very low | 205 Ų | 205 | 129 Ų | 129 | 89% | 0.891 | 79% | 0.785 | S | S | * | * | -157.5 | 121.5 | 123.7 | -137.2 | 156.5 | -175.5 | 169.6 | 0 | 116.1 | |||||
| 288 | A | 44.3 | Very low | 42.4 | Very low | 98 Ų | 98 | 127.7 Ų | 127.7 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | trans | 39.4 | 125.5 | 147.4 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 289 | R | 38 | Very low | 42.2 | Very low | 223 Ų | 223 | 130.3 Ų | 130.3 | 84% | 0.842 | 78% | 0.779 | S | S | * | * | trans | -108.3 | 144.8 | 157.5 | 177 | -173.2 | -175.3 | -152.3 | 4.6 | 109.2 | ||||
| 290 | P | 47.4 | Very low | 42.5 | Very low | 108 Ų | 108 | 129.6 Ų | 129.6 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | trans | -121 | 159.3 | 143.2 | 32.1 | -20.4 | 0 | 0 | 0 | 111.4 | ||||
| 291 | A | 37.8 | Very low | 42.6 | Very low | 63 Ų | 63 | 129.8 Ų | 129.8 | 52% | 0.521 | 77% | 0.773 | S | S | . | * | trans | -129.1 | 134.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 292 | H | 47.1 | Very low | 43.1 | Very low | 178 Ų | 178 | 136.3 Ų | 136.3 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | trans | -144.3 | 133.7 | 173 | -63.5 | -69.8 | 0 | 0 | 0 | 113.6 | ||||
| 293 | S | 41.5 | Very low | 42.8 | Very low | 122 Ų | 122 | 140.2 Ų | 140.2 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | 69.8 | 117.6 | 147.3 | -147.3 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 294 | S | 41.1 | Very low | 43 | Very low | 116 Ų | 116 | 138.5 Ų | 138.5 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | trans | -77.5 | 157 | 168 | -34 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 295 | A | 42 | Very low | 43.1 | Very low | 94 Ų | 94 | 142 Ų | 142 | 78% | 0.777 | 78% | 0.784 | S | S | * | * | trans | -171.9 | 121.9 | 142.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 296 | S | 41.1 | Very low | 42.6 | Very low | 111 Ų | 111 | 142.3 Ų | 142.3 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | 53.8 | 128.5 | 80.4 | -150.5 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 297 | T | 43.1 | Very low | 42.8 | Very low | 131 Ų | 131 | 142.2 Ų | 142.2 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | cis | -152.2 | 166.7 | 39.4 | -61.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 298 | V | 42.8 | Very low | 42.6 | Very low | 106 Ų | 106 | 144 Ų | 144 | 64% | 0.642 | 79% | 0.788 | S | S | * | * | trans | -83.3 | 144.9 | -175.1 | 168.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 299 | H | 40.2 | Very low | 42.3 | Very low | 187 Ų | 187 | 148 Ų | 148 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | -171 | 156.7 | 123 | -101.2 | -57.3 | 0 | 0 | 0 | 114.8 | |||||
| 300 | V | 46 | Very low | 42.5 | Very low | 123 Ų | 123 | 143.4 Ų | 143.4 | 75% | 0.745 | 79% | 0.792 | S | S | * | * | trans | -132.7 | -171 | -165.7 | -150.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 301 | P | 48.4 | Very low | 42.1 | Very low | 111 Ų | 111 | 147.5 Ų | 147.5 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | -109.5 | -179.9 | -109 | 41.5 | -27 | 0 | 0 | 0 | 115 | |||||
| 302 | K | 49.6 | Very low | 42.3 | Very low | 212 Ų | 212 | 156.5 Ų | 156.5 | 92% | 0.922 | 82% | 0.819 | S | S | * | * | trans | -163.4 | 142.8 | 141.6 | -112.2 | 160 | -175.9 | 177.1 | 0 | 115 | ||||
| 303 | R | 36 | Very low | 41.9 | Very low | 239 Ų | 239 | 155.7 Ų | 155.7 | 90% | 0.902 | 82% | 0.821 | S | S | * | * | trans | -116.5 | 179.7 | 160.9 | -122 | -174.9 | -175.6 | 170.4 | 1.8 | 105.7 | ||||
| 304 | P | 45.6 | Very low | 42.1 | Very low | 108 Ų | 108 | 153 Ų | 153 | 70% | 0.701 | 81% | 0.812 | S | S | * | * | cis | -125.9 | -176.1 | -23.1 | 38.9 | -22.8 | 0 | 0 | 0 | 111.5 | ||||
| 305 | E | 44.4 | Very low | 42.3 | Very low | 186 Ų | 186 | 155.2 Ų | 155.2 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | 175.3 | 164.9 | 124.3 | -99.4 | -170.3 | 163.5 | 0 | 0 | 112.9 | |||||
| 306 | C | 35.9 | Very low | 42.5 | Very low | 115 Ų | 115 | 156.4 Ų | 156.4 | 78% | 0.777 | 82% | 0.818 | S | S | * | * | trans | -100.4 | 162.7 | -177.1 | -46.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 307 | I | 42.3 | Very low | 42.8 | Very low | 150 Ų | 150 | 156.7 Ų | 156.7 | 77% | 0.769 | 82% | 0.815 | S | S | * | * | trans | 167.1 | 131.7 | 134.3 | -88.7 | 156.1 | 0 | 0 | 0 | 113.7 | ||||
| 308 | R | 40.9 | Very low | 42.9 | Very low | 242 Ų | 242 | 157.8 Ų | 157.8 | 91% | 0.913 | 81% | 0.813 | S | S | * | * | trans | 58 | 153.2 | 154.2 | -79.5 | 177.7 | 172.3 | 138.6 | -0.7 | 124.1 | ||||
| 309 | E | 36.5 | Very low | 43.1 | Very low | 183 Ų | 183 | 159.4 Ų | 159.4 | 86% | 0.855 | 82% | 0.817 | S | S | * | * | trans | -93.1 | 158.4 | -177 | -44.3 | 164.8 | 119.9 | 0 | 0 | 112 | ||||
| 310 | S | 42.5 | Very low | 43.8 | Very low | 126 Ų | 126 | 155.7 Ų | 155.7 | 88% | 0.881 | 81% | 0.81 | S | S | * | * | trans | -171.3 | 146.9 | 131.3 | -87.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 311 | K | 38.6 | Very low | 43.9 | Very low | 195 Ų | 195 | 154.3 Ų | 154.3 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | trans | -84.8 | 156.7 | 176.3 | -59 | 169.3 | 179.4 | 171.8 | 0 | 111.4 | ||||
| 312 | R | 42.6 | Very low | 43.8 | Very low | 251 Ų | 251 | 158 Ų | 158 | 95% | 0.947 | 82% | 0.82 | S | S | * | * | trans | -163.6 | 153.6 | 140.8 | -108.2 | 166.2 | -160.7 | 169.9 | 6 | 112.1 | ||||
| 313 | N | 39.5 | Very low | 43.8 | Very low | 161 Ų | 161 | 153.5 Ų | 153.5 | 86% | 0.861 | 82% | 0.816 | S | S | * | * | trans | -105.8 | 164.2 | -173.8 | -61.1 | -3.2 | 0 | 0 | 0 | 112.2 | ||||
| 314 | G | 46.2 | Very low | 44.5 | Very low | 65 Ų | 65 | 152 Ų | 152 | 67% | 0.67 | 82% | 0.816 | S | S | * | * | trans | 167.2 | 110.1 | 159.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 315 | N | 44.5 | Very low | 44.4 | Very low | 164 Ų | 164 | 151.6 Ų | 151.6 | 88% | 0.877 | 82% | 0.816 | S | S | * | * | 82.6 | 151.1 | 67.1 | -80.3 | 16.2 | 0 | 0 | 0 | 114.1 | |||||
| 316 | S | 45 | Very low | 44.4 | Very low | 118 Ų | 118 | 150.4 Ų | 150.4 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | 82.1 | 138.2 | 179.5 | -94.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 317 | V | 47.8 | Very low | 44.7 | Very low | 118 Ų | 118 | 150.2 Ų | 150.2 | 72% | 0.715 | 81% | 0.814 | S | S | * | * | cis | -169 | 149.1 | -11.4 | 103.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 318 | M | 46.4 | Very low | 44.6 | Very low | 154 Ų | 154 | 146.5 Ų | 146.5 | 76% | 0.759 | 81% | 0.813 | S | S | * | * | trans | 52.3 | 157.3 | 154.6 | -63.9 | -87.5 | 118.8 | 0 | 0 | 122.2 | ||||
| 319 | L | 47.3 | Very low | 44.8 | Very low | 139 Ų | 139 | 142.6 Ų | 142.6 | 73% | 0.728 | 81% | 0.81 | S | S | * | * | cis | -168.2 | -174.2 | -38.8 | -118 | -154.8 | 0 | 0 | 0 | 108.6 | ||||
| 320 | P | 53.8 | Low | 45.1 | Very low | 110 Ų | 110 | 139.5 Ų | 139.5 | 71% | 0.714 | 80% | 0.803 | S | S | * | * | -126.5 | -162.2 | -125.8 | 49.5 | -35.8 | 0 | 0 | 0 | 117.3 | |||||
| 321 | A | 47.7 | Very low | 45.3 | Very low | 93 Ų | 93 | 141 Ų | 141 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | 108.7 | 136.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 322 | M | 47.7 | Very low | 45.4 | Very low | 188 Ų | 188 | 138.8 Ų | 138.8 | 93% | 0.926 | 79% | 0.793 | S | S | * | * | cis | -135.3 | 158.4 | 17.3 | -60.7 | 174 | 78.3 | 0 | 0 | 113.7 | ||||
| 323 | S | 49.5 | Very low | 45.2 | Very low | 119 Ų | 119 | 134.2 Ų | 134.2 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | -46.7 | 135.8 | -174.8 | -43.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 324 | K | 50 | Low | 44.9 | Very low | 206 Ų | 206 | 135.9 Ų | 135.9 | 90% | 0.896 | 78% | 0.781 | S | S | * | * | -155.3 | 144.3 | 113.5 | -101.5 | 176.4 | -175 | -176.4 | 0 | 111 | |||||
| 325 | S | 42.7 | Very low | 44.6 | Very low | 101 Ų | 101 | 141.3 Ų | 141.3 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | trans | -61.6 | 142.4 | -173.1 | 38.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 326 | I | 44.3 | Very low | 44.2 | Very low | 160 Ų | 160 | 141.4 Ų | 141.4 | 82% | 0.821 | 78% | 0.783 | S | S | * | * | 70.5 | 126.5 | 58.2 | -61.7 | 166.1 | 0 | 0 | 0 | 110.9 | |||||
| 327 | S | 42.2 | Very low | 43.9 | Very low | 112 Ų | 112 | 145.6 Ų | 145.6 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | cis | -156.7 | 145.9 | 1 | 45.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 328 | G | 40.8 | Very low | 43.2 | Very low | 72 Ų | 72 | 149.7 Ų | 149.7 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | 111.9 | 136.1 | 98.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 329 | D | 45.3 | Very low | 42.9 | Very low | 160 Ų | 160 | 147.6 Ų | 147.6 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | cis | -121.8 | 153.2 | 22.4 | -86.5 | -36.8 | 0 | 0 | 0 | 116 | ||||
| 330 | V | 42.4 | Very low | 42.5 | Very low | 117 Ų | 117 | 147.3 Ų | 147.3 | 71% | 0.709 | 80% | 0.799 | S | S | * | * | trans | -135.6 | 110.8 | 164.2 | 170.8 | 0 | 0 | 0 | 0 | 109.2 | H332 | V330-H332 PolarHBondContact O-ND1 3.36Å; V330-H332 VanDerWaalsContact O-ND1 3.1Å | ||
| 331 | L | 46.1 | Very low | 41.9 | Very low | 157 Ų | 157 | 149.4 Ų | 149.4 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | trans | -125.6 | 100.9 | 158.9 | -70.5 | 177.7 | 0 | 0 | 0 | 108.2 | ||||
| 332 | H | 41.6 | Very low | 41.6 | Very low | 149 Ų | 149 | 151.1 Ų | 151.1 | 69% | 0.69 | 81% | 0.807 | S | S | * | * | 62.5 | 90 | 87.1 | -70 | 90.8 | 0 | 0 | 0 | 110.9 | V330 | V330-H332 PolarHBondContact O-ND1 3.36Å; V330-H332 VanDerWaalsContact O-ND1 3.1Å | |||
| 333 | L | 37.6 | Very low | 41.2 | Very low | 155 Ų | 155 | 146.7 Ų | 146.7 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | 63.6 | 131.3 | 77.4 | -170.2 | 69.7 | 0 | 0 | 0 | 114.3 | |||||
| 334 | R | 33.6 | Very low | 40.8 | Very low | 196 Ų | 196 | 150.2 Ų | 150.2 | 74% | 0.74 | 80% | 0.795 | S | S | * | * | trans | 84.4 | 106.8 | 160.2 | -172.7 | -178.9 | -81.8 | 165.5 | -8 | 117.3 | ||||
| 335 | H | 39.9 | Very low | 40.4 | Very low | 180 Ų | 180 | 145.5 Ų | 145.5 | 83% | 0.833 | 79% | 0.785 | S | S | * | * | -174.5 | 108.1 | 118.5 | -81.9 | -60.5 | 0 | 0 | 0 | 107.1 | |||||
| 336 | Q | 36.4 | Very low | 40.6 | Very low | 165 Ų | 165 | 148.6 Ų | 148.6 | 77% | 0.771 | 79% | 0.793 | S | S | * | * | 51.9 | 88.4 | 68.9 | -74.5 | -88.7 | 21.3 | 0 | 0 | 114.8 | |||||
| 337 | K | 39.3 | Very low | 40.6 | Very low | 206 Ų | 206 | 146 Ų | 146 | 90% | 0.896 | 79% | 0.789 | S | S | * | * | -175.7 | 158.9 | 114.4 | -102.2 | 173.4 | 179.5 | 179.5 | 0 | 113.9 | |||||
| 338 | K | 33.3 | Very low | 40.8 | Very low | 205 Ų | 205 | 146.3 Ų | 146.3 | 89% | 0.891 | 79% | 0.788 | S | S | * | * | trans | -97.9 | 151.2 | -178.6 | -57.5 | 171.1 | 177.6 | 179.3 | 0 | 111.7 | ||||
| 339 | S | 38.4 | Very low | 41.4 | Very low | 110 Ų | 110 | 148.1 Ų | 148.1 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -151.4 | 102.7 | 144.6 | 52 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 340 | V | 39.4 | Very low | 41 | Very low | 133 Ų | 133 | 145.7 Ų | 145.7 | 81% | 0.806 | 78% | 0.782 | S | S | * | * | 75.2 | 105.6 | 87.1 | 171.6 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 341 | L | 42 | Very low | 41.3 | Very low | 154 Ų | 154 | 150.1 Ų | 150.1 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | trans | -67.5 | 163.4 | 161.1 | -67.6 | 161.5 | 0 | 0 | 0 | 109.7 | ||||
| 342 | P | 41.8 | Very low | 41.1 | Very low | 129 Ų | 129 | 147.7 Ų | 147.7 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | -138.8 | 175.2 | 101.2 | 37.7 | -25.8 | 0 | 0 | 0 | 113.9 | |||||
| 343 | S | 38.4 | Very low | 40.9 | Very low | 94 Ų | 94 | 146 Ų | 146 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | trans | -131.2 | 154.6 | -166.3 | 47.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 344 | K | 40.3 | Very low | 40.8 | Very low | 194 Ų | 194 | 147.6 Ų | 147.6 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | 68.8 | 172.5 | 163.4 | -61.5 | 179.6 | 173.7 | -178.8 | 0 | 116.2 | ||||
| 345 | P | 43.4 | Very low | 41.2 | Very low | 106 Ų | 106 | 145.7 Ų | 145.7 | 69% | 0.688 | 79% | 0.785 | S | S | * | * | -135.4 | -178.2 | -70.7 | 39.1 | -21.8 | 0 | 0 | 0 | 112.5 | |||||
| 346 | L | 45.1 | Very low | 41 | Very low | 167 Ų | 167 | 145.3 Ų | 145.3 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | 179.3 | 164.7 | 132.2 | -117.2 | 74.8 | 0 | 0 | 0 | 112.8 | ||||
| 347 | S | 45.4 | Very low | 41 | Very low | 106 Ų | 106 | 145.8 Ų | 145.8 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 168.5 | -170.4 | 45 | 0 | 0 | 0 | 0 | 115.7 | ||
| 348 | P | 46.7 | Very low | 41.2 | Very low | 117 Ų | 117 | 141.5 Ų | 141.5 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 167 | -168.5 | 38.6 | -36.5 | 0 | 0 | 0 | 114.6 | ||
| 349 | P | 52.9 | Low | 41.5 | Very low | 110 Ų | 110 | 139.3 Ų | 139.3 | 71% | 0.714 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 133.2 | 166.1 | 34.3 | -29.8 | 0 | 0 | 0 | 112.2 | Y351 | P349-Y351 HydrophobicContact CB-CE2 4.35Š|
| 350 | S | 36.2 | Very low | 41.4 | Very low | 109 Ų | 109 | 140 Ų | 140 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 141.1 | 163.4 | 178.3 | 0 | 0 | 0 | 0 | 109.6 | ||
| 351 | Y | 48.8 | Very low | 41.4 | Very low | 210 Ų | 210 | 138.1 Ų | 138.1 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | trans | -132.5 | 142.1 | 160.4 | -78.9 | -75.5 | 0 | 0 | 0 | 110.4 | P349 | P349-Y351 HydrophobicContact CB-CE2 4.35Š| ||
| 352 | P | 41.8 | Very low | 41.2 | Very low | 107 Ų | 107 | 139 Ų | 139 | 70% | 0.695 | 77% | 0.774 | S | S | * | * | trans | -104.7 | 169 | -168.9 | 39.4 | -34.3 | 0 | 0 | 0 | 113.4 | ||||
| 353 | T | 37.7 | Very low | 41.1 | Very low | 114 Ų | 114 | 138.3 Ų | 138.3 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | 157.4 | 109.4 | 120.9 | -68.1 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 354 | K | 36.6 | Very low | 41.2 | Very low | 188 Ų | 188 | 138.9 Ų | 138.9 | 82% | 0.817 | 78% | 0.776 | S | S | * | * | trans | 49 | 160.7 | 142.4 | -56.9 | 179 | 177.4 | -176.4 | 0 | 122.7 | ||||
| 355 | I | 40.8 | Very low | 41.5 | Very low | 155 Ų | 155 | 137.3 Ų | 137.3 | 80% | 0.795 | 78% | 0.776 | S | S | * | * | trans | 80 | 131.9 | 161.3 | -46.8 | -179.8 | 0 | 0 | 0 | 113.9 | ||||
| 356 | Q | 36.1 | Very low | 42 | Very low | 173 Ų | 173 | 138 Ų | 138 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | cis | -172.2 | 136.6 | -21.9 | 172.3 | 166 | -13.4 | 0 | 0 | 106 | ||||
| 357 | E | 35.5 | Very low | 41.9 | Very low | 175 Ų | 175 | 135.4 Ų | 135.4 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -71.9 | 153.6 | 172.3 | -74 | -156.7 | 163.5 | 0 | 0 | 112 | ||||
| 358 | P | 44.7 | Very low | 41.6 | Very low | 115 Ų | 115 | 138 Ų | 138 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | -143.4 | 136.2 | 111.9 | 35.9 | -21.3 | 0 | 0 | 0 | 115.8 | |||||
| 359 | E | 38.6 | Very low | 41.7 | Very low | 159 Ų | 159 | 138.3 Ų | 138.3 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | 48.3 | 143.5 | 124 | -70.5 | -79.4 | 158.7 | 0 | 0 | 122.7 | |||||
| 360 | T | 37.2 | Very low | 40.8 | Very low | 125 Ų | 125 | 141.8 Ų | 141.8 | 77% | 0.767 | 79% | 0.787 | S | S | * | * | trans | 65.9 | 110.5 | 156.7 | 54.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 361 | A | 39.6 | Very low | 40.7 | Very low | 94 Ų | 94 | 142.4 Ų | 142.4 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | 173.6 | 113.9 | 102 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 362 | I | 38 | Very low | 40.4 | Very low | 172 Ų | 172 | 138.5 Ų | 138.5 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | trans | -16.8 | 157.8 | 149.4 | 31.4 | 171.5 | 0 | 0 | 0 | 120.6 | ||||
| 363 | S | 38.5 | Very low | 40.1 | Very low | 115 Ų | 115 | 138.9 Ų | 138.9 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | 103.9 | 132.8 | 166.8 | -160.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 364 | S | 42.1 | Very low | 40.5 | Very low | 106 Ų | 106 | 143.1 Ų | 143.1 | 74% | 0.741 | 81% | 0.812 | S | S | * | * | cis | -161.5 | 156 | -5.9 | 27.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 365 | L | 45.5 | Very low | 40.6 | Very low | 160 Ų | 160 | 139.4 Ų | 139.4 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | trans | -81 | 169.5 | 172.2 | -96.3 | 125.3 | 0 | 0 | 0 | 112.7 | ||||
| 366 | P | 54.6 | Low | 40.7 | Very low | 120 Ų | 120 | 141.1 Ų | 141.1 | 78% | 0.779 | 81% | 0.814 | S | S | * | * | -134.2 | 159.4 | 121.2 | 37.6 | -28.9 | 0 | 0 | 0 | 115 | |||||
| 367 | P | 42.1 | Very low | 41 | Very low | 114 Ų | 114 | 137.3 Ų | 137.3 | 74% | 0.74 | 81% | 0.807 | S | S | * | * | trans | -113.4 | 179.2 | -167.2 | 41.5 | -31.3 | 0 | 0 | 0 | 116 | ||||
| 368 | L | 39.1 | Very low | 41.2 | Very low | 161 Ų | 161 | 135.5 Ų | 135.5 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | trans | -67.8 | 155 | 172.8 | -80.5 | 79.6 | 0 | 0 | 0 | 113.4 | ||||
| 369 | P | 50 | Low | 41.1 | Very low | 123 Ų | 123 | 133.9 Ų | 133.9 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | trans | -108.5 | 140.2 | 157.2 | 35.9 | -26.5 | 0 | 0 | 0 | 113.2 | ||||
| 370 | Q | 34.4 | Very low | 41.2 | Very low | 183 Ų | 183 | 135.1 Ų | 135.1 | 86% | 0.855 | 81% | 0.809 | S | S | * | * | trans | -121.9 | 141 | 158.8 | -75.3 | -170.5 | -75.8 | 0 | 0 | 109.8 | ||||
| 371 | S | 33.6 | Very low | 41.4 | Very low | 122 Ų | 122 | 135.2 Ų | 135.2 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | trans | 48.2 | 121.2 | 159 | 57.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 372 | S | 41 | Very low | 41.5 | Very low | 127 Ų | 127 | 134.3 Ų | 134.3 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | trans | -137.3 | 137.7 | 150.4 | 57.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 373 | S | 37.4 | Very low | 41.8 | Very low | 115 Ų | 115 | 134.9 Ų | 134.9 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -92.9 | 149.7 | -179.1 | 50.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 374 | E | 44.5 | Very low | 42 | Very low | 203 Ų | 203 | 136.1 Ų | 136.1 | 95% | 0.949 | 80% | 0.799 | S | S | * | * | trans | -132 | 157.2 | 158.6 | -74.8 | -170.1 | 149 | 0 | 0 | 110.6 | ||||
| 375 | S | 39.1 | Very low | 42.1 | Very low | 111 Ų | 111 | 137.9 Ų | 137.9 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | trans | -136.2 | 140.8 | -157 | 54.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 376 | E | 43.4 | Very low | 41.7 | Very low | 191 Ų | 191 | 135.4 Ų | 135.4 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | trans | -177.1 | 153 | 158.7 | -105.7 | 174.2 | -170 | 0 | 0 | 108.9 | ||||
| 377 | S | 41.3 | Very low | 41.1 | Very low | 93 Ų | 93 | 137.5 Ų | 137.5 | 65% | 0.65 | 80% | 0.797 | S | S | * | * | cis | -170.3 | 168.4 | -32 | 54.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 378 | V | 41.4 | Very low | 40.7 | Very low | 137 Ų | 137 | 136.3 Ų | 136.3 | 83% | 0.83 | 80% | 0.797 | S | S | * | * | trans | 91.3 | 130.7 | 156.7 | -177.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 379 | A | 42.5 | Very low | 40.7 | Very low | 80 Ų | 80 | 134.9 Ų | 134.9 | 66% | 0.661 | 80% | 0.795 | S | S | * | * | trans | 68.1 | 104.9 | 164 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 380 | Q | 41.1 | Very low | 40.5 | Very low | 185 Ų | 185 | 134.4 Ų | 134.4 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | 59.4 | 134.6 | 55.4 | -53.5 | -173.1 | -36.7 | 0 | 0 | 112.6 | |||||
| 381 | V | 40.7 | Very low | 40.9 | Very low | 128 Ų | 128 | 131.7 Ų | 131.7 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | cis | -154.1 | 131.5 | 45.4 | 161.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 382 | A | 41.4 | Very low | 41.1 | Very low | 74 Ų | 74 | 131.4 Ų | 131.4 | 61% | 0.612 | 78% | 0.784 | S | S | * | * | trans | 46.2 | 165.2 | 134.5 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 383 | E | 44.8 | Very low | 41.1 | Very low | 185 Ų | 185 | 132.7 Ų | 132.7 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | cis | -170.4 | 157.5 | -15.9 | -100.9 | 153.1 | -134.3 | 0 | 0 | 104.9 | ||||
| 384 | D | 43 | Very low | 41 | Very low | 141 Ų | 141 | 133.9 Ų | 133.9 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | cis | -169.4 | -172.5 | -23.1 | -173.4 | 23.8 | 0 | 0 | 0 | 107.9 | ||||
| 385 | I | 43.2 | Very low | 40.7 | Very low | 143 Ų | 143 | 132.7 Ų | 132.7 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | trans | 84.9 | 115 | 157.4 | -62.5 | 158.7 | 0 | 0 | 0 | 117.7 | ||||
| 386 | S | 37.4 | Very low | 40.6 | Very low | 107 Ų | 107 | 132 Ų | 132 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | trans | -71.7 | 157.4 | 166.6 | -58.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 387 | I | 41 | Very low | 40.5 | Very low | 164 Ų | 164 | 128.5 Ų | 128.5 | 84% | 0.841 | 77% | 0.765 | S | S | * | * | trans | -156.7 | 135.6 | 133.2 | -96.8 | 142.6 | 0 | 0 | 0 | 108.4 | ||||
| 388 | A | 34.6 | Very low | 40.2 | Very low | 90 Ų | 90 | 129.6 Ų | 129.6 | 74% | 0.744 | 77% | 0.773 | S | S | * | * | trans | -85.1 | 148.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 389 | T | 38.2 | Very low | 40.8 | Very low | 130 Ų | 130 | 128.7 Ų | 128.7 | 80% | 0.798 | 77% | 0.77 | S | S | * | * | trans | -166.9 | 120.7 | 149.4 | -79.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 390 | V | 47.1 | Very low | 40.5 | Very low | 113 Ų | 113 | 130.6 Ų | 130.6 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | trans | 34.8 | 129 | 145 | -172.7 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 391 | P | 42.4 | Very low | 40.5 | Very low | 126 Ų | 126 | 126.9 Ų | 126.9 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -82.6 | 118.8 | 167.4 | 33.8 | -30.6 | 0 | 0 | 0 | 111.5 | ||||
| 392 | C | 38.4 | Very low | 40.1 | Very low | 116 Ų | 116 | 130.1 Ų | 130.1 | 78% | 0.784 | 78% | 0.78 | S | S | * | * | trans | -127 | 141.8 | 163.9 | -85.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 393 | N | 40 | Very low | 39.8 | Very low | 154 Ų | 154 | 132.4 Ų | 132.4 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | trans | -58.6 | 140 | 165 | -57.8 | -51.3 | 0 | 0 | 0 | 109.3 | ||||
| 394 | D | 36.2 | Very low | 39.4 | Very low | 140 Ų | 140 | 130.3 Ų | 130.3 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | trans | -168.4 | 145 | 133.3 | -101.2 | -24.7 | 0 | 0 | 0 | 113.5 | ||||
| 395 | F | 36.8 | Very low | 38.8 | Very low | 179 Ų | 179 | 129.5 Ų | 129.5 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | trans | 30.2 | 113.2 | 156.7 | -72.5 | -93.2 | 0 | 0 | 0 | 120.5 | P397 | F395-P397 VanDerWaalsContact O-CD 3.3Å; F395-P397 WeakPolarHBondContact O-CD 3.45Å | ||
| 396 | A | 37.3 | Very low | 38.6 | Very low | 97 Ų | 97 | 128.5 Ų | 128.5 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 119.1 | 154.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 397 | P | 41.7 | Very low | 38.7 | Very low | 116 Ų | 116 | 130.1 Ų | 130.1 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 132.1 | 176.2 | 32.7 | -30.7 | 0 | 0 | 0 | 109.9 | F395 P399 | F395-P397 VanDerWaalsContact O-CD 3.3Å; F395-P397 WeakPolarHBondContact O-CD 3.45Å; P397-P399 VanDerWaalsContact O-CD 3.28Å; P397-P399 WeakPolarHBondContact O-CD 3.41Å |
| 398 | S | 35.2 | Very low | 38.5 | Very low | 117 Ų | 117 | 129.5 Ų | 129.5 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 120.5 | 171.2 | -63.7 | 0 | 0 | 0 | 0 | 110.6 | S400 | S398-S400 PolarHBondContact O-N 2.79Š|
| 399 | P | 53 | Low | 38.3 | Very low | 118 Ų | 118 | 132.4 Ų | 132.4 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | trans | -92.1 | 92.8 | 168.5 | 33 | -24.2 | 0 | 0 | 0 | 109.4 | P397 S401 | P397-P399 VanDerWaalsContact O-CD 3.28Å; P397-P399 WeakPolarHBondContact O-CD 3.41Å; P399-S401 PolarHBondContact O-N 2.86Å | ||
| 400 | S | 36.1 | Very low | 38.3 | Very low | 120 Ų | 120 | 132.3 Ų | 132.3 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | trans | -64.9 | 97.9 | 158.2 | -80.2 | 0 | 0 | 0 | 0 | 108.7 | S398 | S398-S400 PolarHBondContact O-N 2.79Š| ||
| 401 | S | 41.2 | Very low | 37.9 | Very low | 107 Ų | 107 | 131.6 Ų | 131.6 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | trans | -149.4 | 125.4 | 165.5 | -81.5 | 0 | 0 | 0 | 0 | 111.4 | P399 V403 | P399-S401 PolarHBondContact O-N 2.86Å; S401-V403 PolarHBondContact O-N 3.16Å | ||
| 402 | Q | 33.8 | Very low | 37.6 | Very low | 195 Ų | 195 | 130.6 Ų | 130.6 | 91% | 0.911 | 77% | 0.767 | S | S | * | * | trans | -74 | 112.4 | -172.9 | -57.9 | 162.2 | 12.7 | 0 | 0 | 110.2 | ||||
| 403 | V | 34.9 | Very low | 37.9 | Very low | 122 Ų | 122 | 132.1 Ų | 132.1 | 74% | 0.739 | 77% | 0.766 | S | S | * | * | trans | -139.5 | 97.7 | 163.1 | -171.6 | 0 | 0 | 0 | 0 | 110.9 | S401 | S401-V403 PolarHBondContact O-N 3.16Š| ||
| 404 | N | 35.5 | Very low | 37.9 | Very low | 142 Ų | 142 | 131.3 Ų | 131.3 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | trans | 46 | 80 | 145 | -55.2 | -19 | 0 | 0 | 0 | 118.1 | V406 | N404-V406 VanDerWaalsContact C-N 3.34Å; N404-V406 PolarHBondContact O-N 3.46Å | ||
| 405 | T | 30.2 | Very low | 38.5 | Very low | 123 Ų | 123 | 129.1 Ų | 129.1 | 76% | 0.755 | 75% | 0.753 | S | S | * | * | trans | -66 | 93.8 | 153.3 | -46.6 | 0 | 0 | 0 | 0 | 109.6 | K407 | T405-K407 HydrophobicContact CG2-CG 3.79Å; T405-K407 PolarHBondContact O-N 2.85Å | ||
| 406 | V | 39.9 | Very low | 38.9 | Very low | 122 Ų | 122 | 129.7 Ų | 129.7 | 74% | 0.739 | 76% | 0.758 | S | S | * | * | trans | -71.8 | 84.8 | 164.9 | -177.6 | 0 | 0 | 0 | 0 | 108 | N404 N408 | N404-V406 VanDerWaalsContact C-N 3.34Å; N404-V406 PolarHBondContact O-N 3.46Å; V406-N408 PolarHBondContact O-N 3.02Å | ||
| 407 | K | 39.4 | Very low | 39.5 | Very low | 142 Ų | 142 | 130.8 Ų | 130.8 | 62% | 0.617 | 75% | 0.75 | S | S | * | * | trans | -67.5 | 121.7 | 162.7 | -64.5 | -178.2 | -176.9 | 173.3 | 0 | 107.1 | T405 E409 | T405-K407 HydrophobicContact CG2-CG 3.79Å; T405-K407 PolarHBondContact O-N 2.85Å; K407-E409 HydrophobicContact CB-CG 3.74Å; K407-E409 WeakPolarHBondContact CD-OE1 3.31Å; K407-E409 PolarHBondContact O-N 3.07Å | ||
| 408 | N | 35.7 | Very low | 40.2 | Very low | 151 Ų | 151 | 127.8 Ų | 127.8 | 81% | 0.807 | 74% | 0.739 | S | S | * | * | trans | -70.4 | 80.8 | 163.7 | -87.2 | -7.9 | 0 | 0 | 0 | 108.6 | V406 T410 | V406-N408 PolarHBondContact O-N 3.02Å; N408-T410 VanDerWaalsContact C-N 3.27Å; N408-T410 PolarHBondContact O-N 2.89Å | ||
| 409 | E | 32.2 | Very low | 41 | Very low | 151 Ų | 151 | 128.6 Ų | 128.6 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | trans | -76.3 | 80.3 | 173.4 | -60.9 | -157 | 172.6 | 0 | 0 | 109.9 | K407 S411 | K407-E409 HydrophobicContact CB-CG 3.74Å; K407-E409 WeakPolarHBondContact CD-OE1 3.31Å; K407-E409 PolarHBondContact O-N 3.07Å; E409-S411 PolarHBondContact O-N 3.34Å | ||
| 410 | T | 37.6 | Very low | 40.9 | Very low | 128 Ų | 128 | 129.1 Ų | 129.1 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | trans | -77 | 76.8 | 164.9 | -50.1 | 0 | 0 | 0 | 0 | 109.8 | N408 S412 | N408-T410 VanDerWaalsContact C-N 3.27Å; N408-T410 PolarHBondContact O-N 2.89Å; T410-S412 PolarHBondContact O-N 2.81Å | ||
| 411 | S | 39 | Very low | 41.6 | Very low | 97 Ų | 97 | 133 Ų | 133 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | trans | 45.9 | 58.9 | 143 | -47.5 | 0 | 0 | 0 | 0 | 117.7 | E409 I413 | E409-S411 PolarHBondContact O-N 3.34Å; S411-I413 PolarHBondContact O-N 2.85Å | ||
| 412 | S | 36.4 | Very low | 42 | Very low | 106 Ų | 106 | 131.5 Ų | 131.5 | 74% | 0.741 | 73% | 0.733 | S | S | * | * | trans | -79.2 | 68.6 | 159.9 | 178.9 | 0 | 0 | 0 | 0 | 110.7 | T410 I414 | T410-S412 PolarHBondContact O-N 2.81Å; S412-I414 PolarHBondContact O-N 3.38Å | ||
| 413 | I | 43.5 | Very low | 42.6 | Very low | 147 Ų | 147 | 129.6 Ų | 129.6 | 75% | 0.754 | 72% | 0.724 | S | S | * | * | trans | -67.5 | 113.8 | 167.9 | -63.7 | 175.4 | 0 | 0 | 0 | 107.4 | S411 P415 | S411-I413 PolarHBondContact O-N 2.85Å; I413-P415 WeakPolarHBondContact O-CD 3.37Å | ||
| 414 | I | 40.5 | Very low | 43.6 | Very low | 137 Ų | 137 | 129 Ų | 129 | 70% | 0.703 | 72% | 0.721 | S | S | * | * | trans | -93.5 | 107.6 | 172.3 | -61.4 | 171.7 | 0 | 0 | 0 | 107.7 | S412 Q416 | S412-I414 PolarHBondContact O-N 3.38Å; I414-Q416 PolarHBondContact O-N 2.93Å | ||
| 415 | P | 49.7 | Very low | 44.1 | Very low | 94 Ų | 94 | 130 Ų | 130 | 61% | 0.61 | 72% | 0.72 | S | S | * | * | trans | -80.7 | 101.1 | 163.7 | 10.9 | 7.7 | 0 | 0 | 0 | 107.1 | I413 I417 | I413-P415 WeakPolarHBondContact O-CD 3.37Å; P415-I417 HydrophobicContact CB-CD1 3.85Å; P415-I417 HydrophobicContact CB-CG1 4.03Å; P415-I417 PolarHBondContact O-N 2.98Å | ||
| 416 | Q | 44.5 | Very low | 45.2 | Very low | 191 Ų | 191 | 128.3 Ų | 128.3 | 89% | 0.893 | 71% | 0.714 | S | S | * | * | trans | -70.2 | 75.6 | 171.2 | -172.3 | -179.1 | 8.8 | 0 | 0 | 109.5 | I414 | I414-Q416 PolarHBondContact O-N 2.93Š| ||
| 417 | I | 50.7 | Low | 45.7 | Very low | 121 Ų | 121 | 128.6 Ų | 128.6 | 62% | 0.621 | 72% | 0.722 | S | S | * | * | trans | -113.3 | 112.1 | -179.7 | -60.6 | 177 | 0 | 0 | 0 | 107.5 | P415 I420 | P415-I417 HydrophobicContact CB-CD1 3.85Å; P415-I417 HydrophobicContact CB-CG1 4.03Å; P415-I417 PolarHBondContact O-N 2.98Å; I417-I420 HydrophobicContact CG2-CD1 3.56Å; I417-I420 HydrophobicContact CG2-CG1 3.95Å | ||
| 418 | G | 54.8 | Low | 46.4 | Very low | 52 Ų | 52 | 124.7 Ų | 124.7 | 54% | 0.536 | 72% | 0.721 | S | S | . | * | trans | -65 | -176.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I420 | G418-I420 PolarHBondContact O-N 3.37Š| ||
| 419 | P | 53.1 | Low | 46.8 | Very low | 134 Ų | 134 | 127 Ų | 127 | 87% | 0.87 | 73% | 0.727 | S | S | * | * | trans | -70.6 | 77.1 | -178.1 | 30.4 | -35.6 | 0 | 0 | 0 | 111.6 | K421 | P419-K421 PolarHBondContact O-N 2.98Å; P419-K421 VanDerWaalsContact O-N 3.16Å | ||
| 420 | I | 51 | Low | 47.7 | Very low | 130 Ų | 130 | 122.5 Ų | 122.5 | 67% | 0.667 | 72% | 0.722 | S | S | * | * | trans | -66.5 | 113.2 | 169.5 | -62 | -177.6 | 0 | 0 | 0 | 106.9 | I417 G418 A422 | I417-I420 HydrophobicContact CG2-CD1 3.56Å; I417-I420 HydrophobicContact CG2-CG1 3.95Å; G418-I420 PolarHBondContact O-N 3.37Å; I420-A422 PolarHBondContact O-N 3.27Å | ||
| 421 | K | 50.2 | Low | 48.6 | Very low | 200 Ų | 200 | 121.1 Ų | 121.1 | 87% | 0.87 | 72% | 0.723 | S | S | * | * | trans | -68.8 | 78.2 | 169.5 | -63.6 | 177.7 | -178.6 | 177.9 | 0 | 108.6 | P419 Q423 | P419-K421 PolarHBondContact O-N 2.98Å; P419-K421 VanDerWaalsContact O-N 3.16Å; K421-Q423 VanDerWaalsContact C-N 3.3Å; K421-Q423 PolarHBondContact O-N 3.42Å | ||
| 422 | A | 50.3 | Low | 49.7 | Very low | 76 Ų | 76 | 123 Ų | 123 | 63% | 0.628 | 73% | 0.73 | S | S | * | * | trans | -69.1 | 90 | 173.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | I420 T424 | I420-A422 PolarHBondContact O-N 3.27Å; A422-T424 PolarHBondContact O-N 3.12Å; A422-T424 PolarHBondContact O-OG1 2.95Å | ||
| 423 | Q | 45.8 | Very low | 51 | Low | 155 Ų | 155 | 122 Ų | 122 | 72% | 0.724 | 72% | 0.716 | S | S | * | * | trans | -76.4 | 72.5 | 173.9 | -170.4 | 178.5 | 1.9 | 0 | 0 | 108.9 | K421 H425 | K421-Q423 VanDerWaalsContact C-N 3.3Å; K421-Q423 PolarHBondContact O-N 3.42Å; Q423-H425 PolarHBondContact NE2-NE2 3.27Å; Q423-H425 VanDerWaalsContact NE2-NE2 3.1Å; Q423-H425 PolarHBondContact O-N 2.82Å | ||
| 424 | T | 55 | Low | 52.6 | Low | 111 Ų | 111 | 117.7 Ų | 117.7 | 68% | 0.681 | 70% | 0.699 | S | S | * | * | trans | -74.6 | 87.9 | -177.7 | -22.8 | 0 | 0 | 0 | 0 | 110.2 | A422 S426 | A422-T424 PolarHBondContact O-N 3.12Å; A422-T424 PolarHBondContact O-OG1 2.95Å; T424-S426 PolarHBondContact O-N 2.93Å | ||
| 425 | H | 46.7 | Very low | 54.6 | Low | 161 Ų | 161 | 118.8 Ų | 118.8 | 75% | 0.745 | 70% | 0.701 | S | S | * | * | trans | -70.6 | 67.2 | 161.1 | -69.1 | -81.2 | 0 | 0 | 0 | 109.6 | Q423 | Q423-H425 PolarHBondContact NE2-NE2 3.27Å; Q423-H425 VanDerWaalsContact NE2-NE2 3.1Å; Q423-H425 PolarHBondContact O-N 2.82Å | ||
| 426 | S | 54.5 | Low | 56.4 | Low | 88 Ų | 88 | 119.8 Ų | 119.8 | 62% | 0.615 | 70% | 0.701 | S | S | * | * | trans | -100.8 | 93.4 | 170.9 | 56.5 | 0 | 0 | 0 | 0 | 109 | T424 G428 | T424-S426 PolarHBondContact O-N 2.93Å; S426-G428 PolarHBondContact O-N 2.83Å | ||
| 427 | S | 49.3 | Very low | 58.5 | Low | 129 Ų | 129 | 115 Ų | 115 | 90% | 0.902 | 68% | 0.679 | S | S | * | * | trans | -67.5 | 68 | 160.5 | 55.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 428 | G | 53.3 | Low | 60.2 | Low | 59 Ų | 59 | 110.7 Ų | 110.7 | 61% | 0.608 | 66% | 0.662 | S | S | * | * | trans | -92.3 | 116.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | S426 G430 | S426-G428 PolarHBondContact O-N 2.83Å; G428-G430 PolarHBondContact O-N 3.19Å | ||
| 429 | E | 44.6 | Very low | 61.9 | Low | 199 Ų | 199 | 113.2 Ų | 113.2 | 93% | 0.93 | 66% | 0.66 | S | S | * | * | trans | -66.5 | 82.5 | 174 | -159.6 | 169.7 | -161 | 0 | 0 | 108.3 | A431 | E429-A431 PolarHBondContact O-N 2.85Š| ||
| 430 | G | 52 | Low | 63.6 | Low | 58 Ų | 58 | 111.9 Ų | 111.9 | 60% | 0.598 | 64% | 0.644 | S | S | * | * | trans | -65.2 | 106.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | G428 V432 | G428-G430 PolarHBondContact O-N 3.19Å; G430-V432 VanDerWaalsContact C-N 3.35Å; G430-V432 WeakPolarHBondContact O-CG2 3.45Å; G430-V432 PolarHBondContact O-N 3.37Å | ||
| 431 | A | 55.2 | Low | 65.5 | Low | 98 Ų | 98 | 112 Ų | 112 | 81% | 0.81 | 64% | 0.637 | S | S | * | * | trans | -54 | 102.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | E429 L433 | E429-A431 PolarHBondContact O-N 2.85Å; A431-L433 VanDerWaalsContact C-N 3.32Å; A431-L433 PolarHBondContact O-N 3.2Å | ||
| 432 | V | 62 | Low | 67.4 | Low | 136 Ų | 136 | 111.1 Ų | 111.1 | 82% | 0.824 | 63% | 0.628 | S | S | * | * | trans | -68.1 | 98 | 178.4 | 180 | 0 | 0 | 0 | 0 | 105.7 | G430 S434 | G430-V432 VanDerWaalsContact C-N 3.35Å; G430-V432 WeakPolarHBondContact O-CG2 3.45Å; G430-V432 PolarHBondContact O-N 3.37Å; V432-S434 PolarHBondContact O-N 3.12Å | ||
| 433 | L | 64.5 | Low | 69.4 | Low | 86 Ų | 86 | 110.3 Ų | 110.3 | 45% | 0.45 | 62% | 0.622 | S | S | . | * | trans | -43.8 | 129.3 | 163.5 | -79.7 | 166.8 | 0 | 0 | 0 | 107 | A431 E435 E437 Y441 | A431-L433 VanDerWaalsContact C-N 3.32Å; A431-L433 PolarHBondContact O-N 3.2Å; L433-E435 PolarHBondContact O-N 3.16Å; L433-E437 HydrophobicContact CB-CB 4.29Å; L433-E437 HydrophobicContact CD2-CB 4.19Å; L433-Y441 HydrophobicContact CD1-CD2 3.97Å; L433-Y441 HydrophobicContact CD1-CE2 3.79Å; L433-Y441 HydrophobicContact CD2-CE2 4.16Å | ||
| 434 | S | 78 | Confident | 71.9 | Confident | 57 Ų | 57 | 109.6 Ų | 109.6 | 40% | 0.399 | 62% | 0.616 | S | S | . | * | trans | -54.1 | 147 | -177.5 | 62.3 | 0 | 0 | 0 | 0 | 109.1 | V432 N436 E437 A438 | V432-S434 PolarHBondContact O-N 3.12Å; S434-N436 PolarHBondContact O-N 3.16Å; S434-E437 WeakPolarHBondContact CB-OE2 3.38Å; S434-E437 PolarHBondContact N-OE2 2.98Å; S434-E437 WeakPolarHBondContact O-CA 3.2Å; S434-E437 WeakPolarHBondContact O-CB 3.37Å; S434-E437 PolarHBondContact O-N 3.38Å; S434-E437 VanDerWaalsContact OG-CD 3.25Å; S434-E437 VanDerWaalsContact OG-CG 3.27Å; S434-E437 WeakPolarHBondContact OG-CG 3.28Å; S434-E437 PolarHBondContact OG-N 3.17Å; S434-E437 PolarHBondContact OG-OE2 2.87Å; S434-A438 PolarHBondContact O-N 2.91Å | ||
| 435 | E | 81.7 | Confident | 73.6 | Confident | 159 Ų | 159 | 109.6 Ų | 109.6 | 74% | 0.743 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -50.6 | -38.9 | -175.4 | -174.6 | 166.5 | -149.5 | 0 | 0 | 111.7 | L433 A438 E439 | L433-E435 PolarHBondContact O-N 3.16Å; E435-A438 PolarHBondContact O-N 2.9Å; E435-E439 WeakPolarHBondContact O-CG 3.32Å; E435-E439 PolarHBondContact O-N 3.43Å |
| 436 | N | 87 | Confident | 75.8 | Confident | 115 Ų | 115 | 109 Ų | 109 | 62% | 0.615 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -60.6 | -43.5 | 173.7 | -151.2 | 14.4 | 0 | 0 | 0 | 113.4 | S434 E439 I440 | S434-N436 PolarHBondContact O-N 3.16Å; N436-E439 PolarHBondContact O-N 3.26Å; N436-I440 VanDerWaalsContact O-CG1 3.3Å; N436-I440 WeakPolarHBondContact O-CG1 3.46Å; N436-I440 PolarHBondContact O-N 2.94Å; N436-I440 VanDerWaalsContact O-N 3.08Å |
| 437 | E | 88.5 | Confident | 77.6 | Confident | 90 Ų | 90 | 110.4 Ų | 110.4 | 42% | 0.421 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -68.2 | -41.7 | 173.6 | -71.8 | 165.4 | 130.5 | 0 | 0 | 112 | L433 S434 E439 I440 Y441 | L433-E437 HydrophobicContact CB-CB 4.29Å; L433-E437 HydrophobicContact CD2-CB 4.19Å; S434-E437 WeakPolarHBondContact CB-OE2 3.38Å; S434-E437 PolarHBondContact N-OE2 2.98Å; S434-E437 WeakPolarHBondContact O-CA 3.2Å; S434-E437 WeakPolarHBondContact O-CB 3.37Å; S434-E437 PolarHBondContact O-N 3.38Å; S434-E437 VanDerWaalsContact OG-CD 3.25Å; S434-E437 VanDerWaalsContact OG-CG 3.27Å; S434-E437 WeakPolarHBondContact OG-CG 3.28Å; S434-E437 PolarHBondContact OG-N 3.17Å; S434-E437 PolarHBondContact OG-OE2 2.87Å; E437-E439 VanDerWaalsContact C-N 3.25Å; E437-E439 PolarHBondContact O-N 3.48Å; E437-I440 WeakPolarHBondContact O-CB 3.31Å; E437-I440 PolarHBondContact O-N 3.37Å; E437-I440 VanDerWaalsContact O-N 3.14Å; E437-Y441 WeakPolarHBondContact O-CD2 3.4Å; E437-Y441 PolarHBondContact O-N 2.87Å |
| 438 | A | 87 | Confident | 79.7 | Confident | 31 Ų | 31 | 110.4 Ų | 110.4 | 26% | 0.256 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -61.2 | -36.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | S434 E435 Y441 R442 | S434-A438 PolarHBondContact O-N 2.91Å; E435-A438 PolarHBondContact O-N 2.9Å; A438-Y441 PolarHBondContact O-N 2.69Å; A438-R442 VanDerWaalsContact O-CG 3.3Å; A438-R442 WeakPolarHBondContact O-CG 3.34Å; A438-R442 PolarHBondContact O-N 2.94Å |
| 439 | E | 89.6 | Confident | 81.6 | Confident | 106 Ų | 106 | 117 Ų | 117 | 50% | 0.495 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -67.2 | -41.8 | 171.9 | -74.1 | -177.7 | 158.7 | 0 | 0 | 112.7 | E435 N436 E437 Y441 R442 A443 | E435-E439 WeakPolarHBondContact O-CG 3.32Å; E435-E439 PolarHBondContact O-N 3.43Å; N436-E439 PolarHBondContact O-N 3.26Å; E437-E439 VanDerWaalsContact C-N 3.25Å; E437-E439 PolarHBondContact O-N 3.48Å; E439-Y441 VanDerWaalsContact C-N 3.32Å; E439-Y441 PolarHBondContact O-N 3.29Å; E439-R442 PolarHBondContact O-N 2.82Å; E439-A443 WeakPolarHBondContact O-CB 3.46Å; E439-A443 PolarHBondContact O-N 3.04Å |
| 440 | I | 90 | Very high | 83.9 | Confident | 106 Ų | 106 | 115.7 Ų | 115.7 | 54% | 0.544 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -59 | -43 | 173.3 | -67.8 | 164.8 | 0 | 0 | 0 | 110.9 | N436 E437 A443 K444 | N436-I440 VanDerWaalsContact O-CG1 3.3Å; N436-I440 WeakPolarHBondContact O-CG1 3.46Å; N436-I440 PolarHBondContact O-N 2.94Å; N436-I440 VanDerWaalsContact O-N 3.08Å; E437-I440 WeakPolarHBondContact O-CB 3.31Å; E437-I440 PolarHBondContact O-N 3.37Å; E437-I440 VanDerWaalsContact O-N 3.14Å; I440-A443 PolarHBondContact O-N 2.88Å; I440-K444 WeakPolarHBondContact O-CB 3.4Å; I440-K444 PolarHBondContact O-N 2.89Å |
| 441 | Y | 89.4 | Confident | 85.7 | Confident | 133 Ų | 133 | 116.8 Ų | 116.8 | 52% | 0.522 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.3 | -42 | 175.5 | -78.6 | -70.7 | 0 | 0 | 0 | 112.7 | L433 E437 A438 E439 K444 L445 | L433-Y441 HydrophobicContact CD1-CD2 3.97Å; L433-Y441 HydrophobicContact CD1-CE2 3.79Å; L433-Y441 HydrophobicContact CD2-CE2 4.16Å; E437-Y441 WeakPolarHBondContact O-CD2 3.4Å; E437-Y441 PolarHBondContact O-N 2.87Å; A438-Y441 PolarHBondContact O-N 2.69Å; E439-Y441 VanDerWaalsContact C-N 3.32Å; E439-Y441 PolarHBondContact O-N 3.29Å; Y441-K444 PolarHBondContact O-N 2.9Å; Y441-L445 PolarHBondContact O-N 3.41Å |
| 442 | R | 90.7 | Very high | 87.5 | Confident | 180 Ų | 180 | 114.6 Ų | 114.6 | 68% | 0.679 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63 | -44.5 | 175.1 | -73.1 | 170.4 | 179.5 | -174.7 | 2.6 | 111.8 | A438 E439 L445 F446 | A438-R442 VanDerWaalsContact O-CG 3.3Å; A438-R442 WeakPolarHBondContact O-CG 3.34Å; A438-R442 PolarHBondContact O-N 2.94Å; E439-R442 PolarHBondContact O-N 2.82Å; R442-L445 PolarHBondContact O-N 3.39Å; R442-F446 PolarHBondContact O-N 3.34Å |
| 443 | A | 93.2 | Very high | 89 | Confident | 60 Ų | 60 | 115 Ų | 115 | 50% | 0.496 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.7 | -46 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | E439 I440 L445 F446 E447 | E439-A443 WeakPolarHBondContact O-CB 3.46Å; E439-A443 PolarHBondContact O-N 3.04Å; I440-A443 PolarHBondContact O-N 2.88Å; A443-L445 PolarHBondContact O-N 3.27Å; A443-F446 PolarHBondContact O-N 2.91Å; A443-E447 WeakPolarHBondContact O-CB 3.25Å; A443-E447 PolarHBondContact O-N 2.87Å |
| 444 | K | 96.7 | Very high | 90.3 | Very high | 140 Ų | 140 | 115.7 Ų | 115.7 | 61% | 0.609 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -61.8 | -40.3 | 177.7 | -171.8 | 173.3 | -176.9 | 175.6 | 0 | 112.8 | I440 Y441 Q448 | I440-K444 WeakPolarHBondContact O-CB 3.4Å; I440-K444 PolarHBondContact O-N 2.89Å; Y441-K444 PolarHBondContact O-N 2.9Å; K444-Q448 VanDerWaalsContact O-CB 3.3Å; K444-Q448 WeakPolarHBondContact O-CB 3.41Å; K444-Q448 PolarHBondContact O-N 2.88Å |
| 445 | L | 92.7 | Very high | 90.8 | Very high | 111 Ų | 111 | 121.8 Ų | 121.8 | 58% | 0.581 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.9 | -39.9 | 173.6 | -82.2 | 165.8 | 0 | 0 | 0 | 112.5 | Y441 R442 A443 R449 | Y441-L445 PolarHBondContact O-N 3.41Å; R442-L445 PolarHBondContact O-N 3.39Å; A443-L445 PolarHBondContact O-N 3.27Å; L445-R449 WeakPolarHBondContact O-CB 3.5Å; L445-R449 PolarHBondContact O-N 3.25Å |
| 446 | F | 91 | Very high | 91.1 | Very high | 149 Ų | 149 | 120.2 Ų | 120.2 | 65% | 0.654 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.7 | -43 | 176.2 | -172.8 | -91.8 | 0 | 0 | 0 | 111.8 | R442 A443 R449 R450 | R442-F446 PolarHBondContact O-N 3.34Å; A443-F446 PolarHBondContact O-N 2.91Å; F446-R449 PolarHBondContact O-N 3.04Å; F446-R450 WeakPolarHBondContact O-CB 3.42Å; F446-R450 PolarHBondContact O-N 3.24Å |
| 447 | E | 93.2 | Very high | 91.3 | Very high | 117 Ų | 117 | 120.8 Ų | 120.8 | 55% | 0.547 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63 | -45.6 | 175 | -174.5 | 177 | -156 | 0 | 0 | 111.6 | A443 R449 R450 L451 | A443-E447 WeakPolarHBondContact O-CB 3.25Å; A443-E447 PolarHBondContact O-N 2.87Å; E447-R449 VanDerWaalsContact C-N 3.3Å; E447-R449 PolarHBondContact O-N 3.45Å; E447-R450 WeakPolarHBondContact O-CB 3.44Å; E447-R450 PolarHBondContact O-N 2.84Å; E447-R450 VanDerWaalsContact O-N 3.1Å; E447-L451 HydrophobicContact CG-CD1 4.09Å; E447-L451 HydrophobicContact CG-CG 4.43Å; E447-L451 WeakPolarHBondContact O-CG 3.28Å; E447-L451 PolarHBondContact O-N 2.82Å |
| 448 | Q | 94 | Very high | 91.2 | Very high | 129 Ų | 129 | 121.5 Ų | 121.5 | 60% | 0.603 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -59.1 | -41.5 | 175.4 | -169 | 179.9 | 36.9 | 0 | 0 | 111.5 | K444 L451 A452 | K444-Q448 VanDerWaalsContact O-CB 3.3Å; K444-Q448 WeakPolarHBondContact O-CB 3.41Å; K444-Q448 PolarHBondContact O-N 2.88Å; Q448-L451 PolarHBondContact O-N 3.29Å; Q448-A452 VanDerWaalsContact O-CB 3.31Å; Q448-A452 WeakPolarHBondContact O-CB 3.35Å; Q448-A452 PolarHBondContact O-N 3.26Å |
| 449 | R | 92 | Very high | 91.3 | Very high | 198 Ų | 198 | 126.1 Ų | 126.1 | 75% | 0.747 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -66.5 | -37.4 | 174.5 | -172.4 | 177.6 | -69.6 | -171.5 | -1.7 | 112.3 | L445 F446 E447 K453 | L445-R449 WeakPolarHBondContact O-CB 3.5Å; L445-R449 PolarHBondContact O-N 3.25Å; F446-R449 PolarHBondContact O-N 3.04Å; E447-R449 VanDerWaalsContact C-N 3.3Å; E447-R449 PolarHBondContact O-N 3.45Å; R449-K453 WeakPolarHBondContact O-CB 3.43Å; R449-K453 PolarHBondContact O-N 2.87Å |
| 450 | R | 92.8 | Very high | 91.3 | Very high | 171 Ų | 171 | 127.4 Ų | 127.4 | 65% | 0.645 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65 | -47 | 174.7 | 179.5 | -178.3 | 172.2 | 179 | -2 | 111.4 | F446 E447 K453 Q454 | F446-R450 WeakPolarHBondContact O-CB 3.42Å; F446-R450 PolarHBondContact O-N 3.24Å; E447-R450 WeakPolarHBondContact O-CB 3.44Å; E447-R450 PolarHBondContact O-N 2.84Å; E447-R450 VanDerWaalsContact O-N 3.1Å; R450-K453 PolarHBondContact O-N 3.49Å; R450-Q454 WeakPolarHBondContact O-CB 3.39Å; R450-Q454 PolarHBondContact O-N 3.41Å |
| 451 | L | 90.8 | Very high | 91.2 | Very high | 81 Ų | 81 | 130.8 Ų | 130.8 | 42% | 0.424 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.9 | -40.5 | 177.8 | -71.4 | 171.7 | 0 | 0 | 0 | 111.8 | E447 Q448 Q454 R455 | E447-L451 HydrophobicContact CG-CD1 4.09Å; E447-L451 HydrophobicContact CG-CG 4.43Å; E447-L451 WeakPolarHBondContact O-CG 3.28Å; E447-L451 PolarHBondContact O-N 2.82Å; Q448-L451 PolarHBondContact O-N 3.29Å; L451-Q454 PolarHBondContact O-N 2.91Å; L451-R455 WeakPolarHBondContact O-CG 3.35Å; L451-R455 PolarHBondContact O-N 3.39Å |
| 452 | A | 92.3 | Very high | 91.1 | Very high | 52 Ų | 52 | 132.9 Ų | 132.9 | 43% | 0.43 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -61.4 | -45.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q448 Q454 R455 M456 | Q448-A452 VanDerWaalsContact O-CB 3.31Å; Q448-A452 WeakPolarHBondContact O-CB 3.35Å; Q448-A452 PolarHBondContact O-N 3.26Å; A452-Q454 PolarHBondContact O-N 3.14Å; A452-R455 PolarHBondContact O-N 3.45Å; A452-M456 WeakPolarHBondContact O-CG 3.26Å; A452-M456 PolarHBondContact O-N 2.84Å; A452-M456 VanDerWaalsContact O-N 3.08Å |
| 453 | K | 93.8 | Very high | 90.9 | Very high | 144 Ų | 144 | 129 Ų | 129 | 63% | 0.626 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -61.4 | -43.2 | 174.8 | -174.4 | -178.1 | 175 | -172.8 | 0 | 111.8 | R449 R450 M456 E457 | R449-K453 WeakPolarHBondContact O-CB 3.43Å; R449-K453 PolarHBondContact O-N 2.87Å; R450-K453 PolarHBondContact O-N 3.49Å; K453-M456 PolarHBondContact O-N 2.99Å; K453-E457 WeakPolarHBondContact O-CB 3.47Å; K453-E457 PolarHBondContact O-N 2.8Å |
| 454 | Q | 91.9 | Very high | 90.7 | Very high | 100 Ų | 100 | 129.6 Ų | 129.6 | 47% | 0.467 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.2 | -41.2 | 179.5 | -175.9 | 173.4 | -8.5 | 0 | 0 | 111.9 | R450 L451 A452 E457 E458 | R450-Q454 WeakPolarHBondContact O-CB 3.39Å; R450-Q454 PolarHBondContact O-N 3.41Å; L451-Q454 PolarHBondContact O-N 2.91Å; A452-Q454 PolarHBondContact O-N 3.14Å; Q454-E457 PolarHBondContact O-N 2.94Å; Q454-E458 WeakPolarHBondContact O-CB 3.37Å; Q454-E458 PolarHBondContact O-N 3.5Å |
| 455 | R | 87.9 | Confident | 90.2 | Very high | 186 Ų | 186 | 127.7 Ų | 127.7 | 70% | 0.702 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62.9 | -47.1 | 174 | -74.9 | -179 | -179.8 | 162 | 0.6 | 112.3 | L451 A452 E457 E458 E459 | L451-R455 WeakPolarHBondContact O-CG 3.35Å; L451-R455 PolarHBondContact O-N 3.39Å; A452-R455 PolarHBondContact O-N 3.45Å; R455-E457 VanDerWaalsContact C-N 3.27Å; R455-E457 PolarHBondContact O-N 2.86Å; R455-E458 PolarHBondContact O-N 3.4Å; R455-E459 VanDerWaalsContact O-CB 3.31Å; R455-E459 WeakPolarHBondContact O-CB 3.4Å; R455-E459 PolarHBondContact O-N 3.44Å |
| 456 | M | 88.4 | Confident | 89.9 | Confident | 126 Ų | 126 | 128.6 Ų | 128.6 | 62% | 0.621 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -60.6 | -36.4 | 176.2 | -69.3 | -62.1 | -54.2 | 0 | 0 | 112.4 | A452 K453 K460 | A452-M456 WeakPolarHBondContact O-CG 3.26Å; A452-M456 PolarHBondContact O-N 2.84Å; A452-M456 VanDerWaalsContact O-N 3.08Å; K453-M456 PolarHBondContact O-N 2.99Å; M456-K460 VanDerWaalsContact O-CB 3.28Å; M456-K460 WeakPolarHBondContact O-CB 3.45Å; M456-K460 PolarHBondContact O-N 3.29Å |
| 457 | E | 91.1 | Very high | 89.9 | Confident | 126 Ų | 126 | 124.8 Ų | 124.8 | 59% | 0.589 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -74.8 | -36 | 178 | -170.3 | 167.2 | 176.8 | 0 | 0 | 112.3 | K453 Q454 R455 R461 | K453-E457 WeakPolarHBondContact O-CB 3.47Å; K453-E457 PolarHBondContact O-N 2.8Å; Q454-E457 PolarHBondContact O-N 2.94Å; R455-E457 VanDerWaalsContact C-N 3.27Å; R455-E457 PolarHBondContact O-N 2.86Å; E457-R461 VanDerWaalsContact O-CB 3.3Å; E457-R461 WeakPolarHBondContact O-CB 3.49Å; E457-R461 PolarHBondContact O-N 2.88Å |
| 458 | E | 87.1 | Confident | 89.4 | Confident | 105 Ų | 105 | 127 Ų | 127 | 49% | 0.491 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -70.3 | -42.7 | 174 | -174.2 | 174.1 | 176.9 | 0 | 0 | 112.3 | Q454 R455 R461 R462 | Q454-E458 WeakPolarHBondContact O-CB 3.37Å; Q454-E458 PolarHBondContact O-N 3.5Å; R455-E458 PolarHBondContact O-N 3.4Å; E458-R461 PolarHBondContact O-N 2.9Å; E458-R462 PolarHBondContact O-N 2.69Å |
| 459 | E | 88 | Confident | 89 | Confident | 129 Ų | 129 | 124.7 Ų | 124.7 | 60% | 0.603 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -62 | -46.4 | 174.4 | -176.2 | 175.6 | -168.4 | 0 | 0 | 110.9 | R455 R461 R462 L463 | R455-E459 VanDerWaalsContact O-CB 3.31Å; R455-E459 WeakPolarHBondContact O-CB 3.4Å; R455-E459 PolarHBondContact O-N 3.44Å; E459-R461 VanDerWaalsContact C-N 3.33Å; E459-R461 PolarHBondContact O-N 2.98Å; E459-R462 PolarHBondContact O-N 3.25Å; E459-L463 PolarHBondContact O-N 3.14Å |
| 460 | K | 90.8 | Very high | 88.8 | Confident | 133 Ų | 133 | 122.3 Ų | 122.3 | 58% | 0.578 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -58.9 | -43.8 | 172.5 | -177.4 | 178.2 | 177.8 | -179 | 0 | 111.8 | M456 R462 L463 D464 | M456-K460 VanDerWaalsContact O-CB 3.28Å; M456-K460 WeakPolarHBondContact O-CB 3.45Å; M456-K460 PolarHBondContact O-N 3.29Å; K460-R462 VanDerWaalsContact C-N 3.35Å; K460-R462 PolarHBondContact O-N 3.12Å; K460-L463 PolarHBondContact O-N 3.17Å; K460-D464 WeakPolarHBondContact O-CB 3.42Å; K460-D464 PolarHBondContact O-N 3.05Å |
| 461 | R | 86.8 | Confident | 88.7 | Confident | 176 Ų | 176 | 120 Ų | 120 | 66% | 0.664 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63 | -40.6 | 178 | -179.4 | 177.7 | 171.8 | 175.9 | -2.1 | 111.8 | E457 E458 E459 D464 E465 | E457-R461 VanDerWaalsContact O-CB 3.3Å; E457-R461 WeakPolarHBondContact O-CB 3.49Å; E457-R461 PolarHBondContact O-N 2.88Å; E458-R461 PolarHBondContact O-N 2.9Å; E459-R461 VanDerWaalsContact C-N 3.33Å; E459-R461 PolarHBondContact O-N 2.98Å; R461-D464 PolarHBondContact O-N 2.81Å; R461-E465 VanDerWaalsContact O-CB 3.26Å; R461-E465 WeakPolarHBondContact O-CB 3.26Å; R461-E465 PolarHBondContact O-N 2.99Å |
| 462 | R | 87.9 | Confident | 88.5 | Confident | 177 Ų | 177 | 120.1 Ų | 120.1 | 67% | 0.668 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.4 | -44.3 | 173.7 | -78.8 | -164.4 | 176.1 | -136.4 | 0.9 | 111.7 | E458 E459 K460 E465 E466 | E458-R462 PolarHBondContact O-N 2.69Å; E459-R462 PolarHBondContact O-N 3.25Å; K460-R462 VanDerWaalsContact C-N 3.35Å; K460-R462 PolarHBondContact O-N 3.12Å; R462-E465 PolarHBondContact O-N 3.16Å; R462-E466 WeakPolarHBondContact O-CB 3.37Å; R462-E466 PolarHBondContact O-N 3.36Å |
| 463 | L | 86.6 | Confident | 88.3 | Confident | 100 Ų | 100 | 123.9 Ų | 123.9 | 52% | 0.524 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.1 | -41.8 | 176.5 | -174.1 | 65.4 | 0 | 0 | 0 | 112 | E459 K460 E465 N467 | E459-L463 PolarHBondContact O-N 3.14Å; K460-L463 PolarHBondContact O-N 3.17Å; L463-E465 VanDerWaalsContact C-N 3.35Å; L463-N467 VanDerWaalsContact O-CB 3.31Å; L463-N467 WeakPolarHBondContact O-CB 3.38Å; L463-N467 VanDerWaalsContact O-CG 3.29Å; L463-N467 PolarHBondContact O-N 2.95Å; L463-N467 PolarHBondContact O-ND2 2.8Å |
| 464 | D | 88.1 | Confident | 88.2 | Confident | 71 Ų | 71 | 122.3 Ų | 122.3 | 38% | 0.38 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.8 | -36 | 175.5 | -73.9 | -21.7 | 0 | 0 | 0 | 111.9 | K460 R461 R468 | K460-D464 WeakPolarHBondContact O-CB 3.42Å; K460-D464 PolarHBondContact O-N 3.05Å; R461-D464 PolarHBondContact O-N 2.81Å; D464-R468 VanDerWaalsContact O-CG 3.3Å; D464-R468 WeakPolarHBondContact O-CG 3.39Å; D464-R468 PolarHBondContact O-N 3.34Å |
| 465 | E | 86.8 | Confident | 87.9 | Confident | 100 Ų | 100 | 123.6 Ų | 123.6 | 47% | 0.467 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -75 | -41.6 | 178.1 | -170.7 | 162.2 | 177.7 | 0 | 0 | 112.1 | R461 R462 L463 R468 N469 | R461-E465 VanDerWaalsContact O-CB 3.26Å; R461-E465 WeakPolarHBondContact O-CB 3.26Å; R461-E465 PolarHBondContact O-N 2.99Å; R462-E465 PolarHBondContact O-N 3.16Å; L463-E465 VanDerWaalsContact C-N 3.35Å; E465-R468 PolarHBondContact O-N 2.66Å; E465-N469 WeakPolarHBondContact O-CB 3.34Å; E465-N469 PolarHBondContact O-N 3.03Å; E465-N469 PolarHBondContact O-ND2 3Å |
| 466 | E | 87.3 | Confident | 87.9 | Confident | 131 Ų | 131 | 120.6 Ų | 120.6 | 61% | 0.612 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.1 | -43.6 | 172.1 | -173.2 | 179.8 | 166.8 | 0 | 0 | 111.4 | R462 R468 N469 R470 | R462-E466 WeakPolarHBondContact O-CB 3.37Å; R462-E466 PolarHBondContact O-N 3.36Å; E466-R468 VanDerWaalsContact C-N 3.34Å; E466-R468 PolarHBondContact O-N 3.24Å; E466-N469 PolarHBondContact O-N 3.34Å; E466-R470 WeakPolarHBondContact O-CB 3.45Å; E466-R470 PolarHBondContact O-N 2.91Å |
| 467 | N | 91.3 | Very high | 88.1 | Confident | 69 Ų | 69 | 117.5 Ų | 117.5 | 37% | 0.369 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.6 | -39.6 | 175.5 | -81 | -48.9 | 0 | 0 | 0 | 112.5 | L463 Q471 | L463-N467 VanDerWaalsContact O-CB 3.31Å; L463-N467 WeakPolarHBondContact O-CB 3.38Å; L463-N467 VanDerWaalsContact O-CG 3.29Å; L463-N467 PolarHBondContact O-N 2.95Å; L463-N467 PolarHBondContact O-ND2 2.8Å; N467-Q471 VanDerWaalsContact O-CG 3.32Å; N467-Q471 WeakPolarHBondContact O-CG 3.45Å; N467-Q471 PolarHBondContact O-N 3.4Å |
| 468 | R | 82.3 | Confident | 87.9 | Confident | 164 Ų | 164 | 120.3 Ų | 120.3 | 62% | 0.619 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66.4 | -43.5 | 173.6 | -72.6 | 172.1 | -169 | -178.3 | 5.4 | 112 | D464 E465 E466 R470 Q471 I472 | D464-R468 VanDerWaalsContact O-CG 3.3Å; D464-R468 WeakPolarHBondContact O-CG 3.39Å; D464-R468 PolarHBondContact O-N 3.34Å; E465-R468 PolarHBondContact O-N 2.66Å; E466-R468 VanDerWaalsContact C-N 3.34Å; E466-R468 PolarHBondContact O-N 3.24Å; R468-R470 VanDerWaalsContact C-N 3.32Å; R468-R470 PolarHBondContact O-N 2.86Å; R468-Q471 PolarHBondContact O-N 2.95Å; R468-I472 WeakPolarHBondContact O-CG1 3.45Å; R468-I472 PolarHBondContact O-N 2.9Å |
| 469 | N | 85.3 | Confident | 87.7 | Confident | 79 Ų | 79 | 120.2 Ų | 120.2 | 42% | 0.422 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.6 | -40.1 | 177.7 | -69.8 | -20.7 | 0 | 0 | 0 | 111.2 | E465 E466 I472 Q473 | E465-N469 WeakPolarHBondContact O-CB 3.34Å; E465-N469 PolarHBondContact O-N 3.03Å; E465-N469 PolarHBondContact O-ND2 3Å; E466-N469 PolarHBondContact O-N 3.34Å; N469-I472 PolarHBondContact O-N 3.45Å; N469-Q473 WeakPolarHBondContact O-CB 3.39Å; N469-Q473 VanDerWaalsContact O-CG 3.29Å; N469-Q473 WeakPolarHBondContact O-CG 3.28Å; N469-Q473 PolarHBondContact O-N 2.91Å |
| 470 | R | 88.5 | Confident | 87.7 | Confident | 148 Ų | 148 | 116.8 Ų | 116.8 | 56% | 0.558 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.8 | -40.7 | 173.2 | -173.5 | 178.3 | -179.5 | -177.1 | 2.8 | 112.2 | E466 R468 Q473 Q474 | E466-R470 WeakPolarHBondContact O-CB 3.45Å; E466-R470 PolarHBondContact O-N 2.91Å; R468-R470 VanDerWaalsContact C-N 3.32Å; R468-R470 PolarHBondContact O-N 2.86Å; R470-Q473 PolarHBondContact O-N 2.66Å; R470-Q474 WeakPolarHBondContact O-CB 3.47Å; R470-Q474 VanDerWaalsContact O-CG 3.27Å; R470-Q474 WeakPolarHBondContact O-CG 3.39Å; R470-Q474 PolarHBondContact O-N 3.12Å |
| 471 | Q | 88.8 | Confident | 87.5 | Confident | 124 Ų | 124 | 113.3 Ų | 113.3 | 58% | 0.579 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.4 | -46.8 | 173.6 | -77.2 | 173.6 | -3.5 | 0 | 0 | 111.7 | N467 R468 Q473 Q474 E475 | N467-Q471 VanDerWaalsContact O-CG 3.32Å; N467-Q471 WeakPolarHBondContact O-CG 3.45Å; N467-Q471 PolarHBondContact O-N 3.4Å; R468-Q471 PolarHBondContact O-N 2.95Å; Q471-Q473 VanDerWaalsContact C-N 3.34Å; Q471-Q473 PolarHBondContact O-N 3.44Å; Q471-Q474 PolarHBondContact O-N 2.79Å; Q471-E475 WeakPolarHBondContact O-CB 3.35Å; Q471-E475 PolarHBondContact O-N 2.59Å |
| 472 | I | 87.4 | Confident | 87.4 | Confident | 83 Ų | 83 | 110.2 Ų | 110.2 | 43% | 0.426 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 176.9 | -67.3 | 164.6 | 0 | 0 | 0 | 110.9 | R468 N469 E475 Q476 | R468-I472 WeakPolarHBondContact O-CG1 3.45Å; R468-I472 PolarHBondContact O-N 2.9Å; N469-I472 PolarHBondContact O-N 3.45Å; I472-E475 PolarHBondContact O-N 3.2Å; I472-Q476 HydrophobicContact CG2-CG 4.47Å; I472-Q476 WeakPolarHBondContact O-CB 3.35Å; I472-Q476 VanDerWaalsContact O-CG 3.27Å; I472-Q476 WeakPolarHBondContact O-CG 3.35Å; I472-Q476 PolarHBondContact O-N 2.89Å |
| 473 | Q | 89.2 | Confident | 87.4 | Confident | 130 Ų | 130 | 104.1 Ų | 104.1 | 61% | 0.607 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.3 | -40.4 | 175.3 | -74.9 | 174.6 | 0.9 | 0 | 0 | 112.4 | N469 R470 Q471 Q476 A477 | N469-Q473 WeakPolarHBondContact O-CB 3.39Å; N469-Q473 VanDerWaalsContact O-CG 3.29Å; N469-Q473 WeakPolarHBondContact O-CG 3.28Å; N469-Q473 PolarHBondContact O-N 2.91Å; R470-Q473 PolarHBondContact O-N 2.66Å; Q471-Q473 VanDerWaalsContact C-N 3.34Å; Q471-Q473 PolarHBondContact O-N 3.44Å; Q473-Q476 PolarHBondContact O-N 3.14Å; Q473-A477 VanDerWaalsContact O-CB 3.24Å; Q473-A477 WeakPolarHBondContact O-CB 3.48Å; Q473-A477 PolarHBondContact O-N 2.82Å |
| 474 | Q | 91.4 | Very high | 87.2 | Confident | 112 Ų | 112 | 104.3 Ų | 104.3 | 52% | 0.523 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.6 | -38.9 | 175.3 | -77.5 | 177.5 | -24.1 | 0 | 0 | 112 | R470 Q471 R478 | R470-Q474 WeakPolarHBondContact O-CB 3.47Å; R470-Q474 VanDerWaalsContact O-CG 3.27Å; R470-Q474 WeakPolarHBondContact O-CG 3.39Å; R470-Q474 PolarHBondContact O-N 3.12Å; Q471-Q474 PolarHBondContact O-N 2.79Å; Q474-R478 VanDerWaalsContact O-CB 3.27Å; Q474-R478 WeakPolarHBondContact O-CB 3.34Å; Q474-R478 PolarHBondContact O-N 2.88Å |
| 475 | E | 85.9 | Confident | 87 | Confident | 126 Ų | 126 | 105.8 Ų | 105.8 | 59% | 0.589 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.9 | -44.5 | 175 | -171.8 | 174.9 | -174.5 | 0 | 0 | 111.2 | Q471 I472 R478 L479 | Q471-E475 WeakPolarHBondContact O-CB 3.35Å; Q471-E475 PolarHBondContact O-N 2.59Å; I472-E475 PolarHBondContact O-N 3.2Å; E475-R478 PolarHBondContact O-N 3.28Å; E475-L479 HydrophobicContact CG-CD1 4.26Å; E475-L479 WeakPolarHBondContact O-CB 3.36Å; E475-L479 VanDerWaalsContact O-CG 3.29Å; E475-L479 WeakPolarHBondContact O-CG 3.35Å; E475-L479 PolarHBondContact O-N 3.26Å |
| 476 | Q | 87.6 | Confident | 87 | Confident | 123 Ų | 123 | 103.6 Ų | 103.6 | 58% | 0.575 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.3 | -42.9 | 173.6 | -74.8 | 176.7 | -2 | 0 | 0 | 112.4 | I472 Q473 L479 A480 | I472-Q476 HydrophobicContact CG2-CG 4.47Å; I472-Q476 WeakPolarHBondContact O-CB 3.35Å; I472-Q476 VanDerWaalsContact O-CG 3.27Å; I472-Q476 WeakPolarHBondContact O-CG 3.35Å; I472-Q476 PolarHBondContact O-N 2.89Å; Q473-Q476 PolarHBondContact O-N 3.14Å; Q476-L479 PolarHBondContact O-N 3.16Å; Q476-A480 WeakPolarHBondContact O-CB 3.43Å; Q476-A480 PolarHBondContact O-N 3.07Å |
| 477 | A | 91 | Very high | 86.8 | Confident | 62 Ų | 62 | 105 Ų | 105 | 51% | 0.512 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.3 | -38.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | Q473 A480 A481 | Q473-A477 VanDerWaalsContact O-CB 3.24Å; Q473-A477 WeakPolarHBondContact O-CB 3.48Å; Q473-A477 PolarHBondContact O-N 2.82Å; A477-A480 PolarHBondContact O-N 3.45Å; A477-A481 WeakPolarHBondContact O-CB 3.5Å; A477-A481 PolarHBondContact O-N 2.99Å |
| 478 | R | 88.4 | Confident | 86.7 | Confident | 185 Ų | 185 | 106.3 Ų | 106.3 | 70% | 0.698 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.8 | -46.2 | 173.9 | -179.4 | -179.5 | 172.3 | 176.1 | 0.4 | 111.6 | Q474 E475 A480 A481 E482 | Q474-R478 VanDerWaalsContact O-CB 3.27Å; Q474-R478 WeakPolarHBondContact O-CB 3.34Å; Q474-R478 PolarHBondContact O-N 2.88Å; E475-R478 PolarHBondContact O-N 3.28Å; R478-A480 VanDerWaalsContact C-N 3.3Å; R478-A480 PolarHBondContact O-N 2.79Å; R478-A481 PolarHBondContact O-N 3.34Å; R478-E482 WeakPolarHBondContact O-CB 3.47Å; R478-E482 PolarHBondContact O-N 3.27Å |
| 479 | L | 83.2 | Confident | 87 | Confident | 102 Ų | 102 | 104 Ų | 104 | 53% | 0.534 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.1 | -36.7 | 176.7 | -72.6 | 169.8 | 0 | 0 | 0 | 111.9 | E475 Q476 A483 | E475-L479 HydrophobicContact CG-CD1 4.26Å; E475-L479 WeakPolarHBondContact O-CB 3.36Å; E475-L479 VanDerWaalsContact O-CG 3.29Å; E475-L479 WeakPolarHBondContact O-CG 3.35Å; E475-L479 PolarHBondContact O-N 3.26Å; Q476-L479 PolarHBondContact O-N 3.16Å; L479-A483 VanDerWaalsContact O-CB 3.3Å; L479-A483 WeakPolarHBondContact O-CB 3.35Å; L479-A483 PolarHBondContact O-N 3.38Å |
| 480 | A | 87.2 | Confident | 87 | Confident | 57 Ų | 57 | 107.1 Ų | 107.1 | 47% | 0.471 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.5 | -43.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q476 A477 R478 A483 E484 | Q476-A480 WeakPolarHBondContact O-CB 3.43Å; Q476-A480 PolarHBondContact O-N 3.07Å; A477-A480 PolarHBondContact O-N 3.45Å; R478-A480 VanDerWaalsContact C-N 3.3Å; R478-A480 PolarHBondContact O-N 2.79Å; A480-A483 PolarHBondContact O-N 2.95Å; A480-E484 PolarHBondContact O-N 3.1Å |
| 481 | A | 87.3 | Confident | 86.8 | Confident | 61 Ų | 61 | 104.4 Ų | 104.4 | 50% | 0.504 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.5 | -41.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A477 R478 A483 E484 E485 | A477-A481 WeakPolarHBondContact O-CB 3.5Å; A477-A481 PolarHBondContact O-N 2.99Å; R478-A481 PolarHBondContact O-N 3.34Å; A481-A483 VanDerWaalsContact C-N 3.33Å; A481-A483 PolarHBondContact O-N 3.07Å; A481-E484 PolarHBondContact O-N 3.46Å; A481-E485 WeakPolarHBondContact O-CB 3.22Å; A481-E485 PolarHBondContact O-N 2.9Å |
| 482 | E | 84.3 | Confident | 86.6 | Confident | 110 Ų | 110 | 104.5 Ų | 104.5 | 51% | 0.514 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.9 | -36.4 | 175.2 | -173.6 | 172.8 | 168.5 | 0 | 0 | 111.8 | R478 A486 | R478-E482 WeakPolarHBondContact O-CB 3.47Å; R478-E482 PolarHBondContact O-N 3.27Å; E482-A486 VanDerWaalsContact O-CB 3.26Å; E482-A486 WeakPolarHBondContact O-CB 3.26Å; E482-A486 PolarHBondContact O-N 3.31Å |
| 483 | A | 87.5 | Confident | 86.7 | Confident | 50 Ų | 50 | 103.2 Ų | 103.2 | 41% | 0.413 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.7 | -44.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L479 A480 A481 A486 R487 | L479-A483 VanDerWaalsContact O-CB 3.3Å; L479-A483 WeakPolarHBondContact O-CB 3.35Å; L479-A483 PolarHBondContact O-N 3.38Å; A480-A483 PolarHBondContact O-N 2.95Å; A481-A483 VanDerWaalsContact C-N 3.33Å; A481-A483 PolarHBondContact O-N 3.07Å; A483-A486 PolarHBondContact O-N 2.93Å; A483-R487 WeakPolarHBondContact O-CG 3.26Å; A483-R487 PolarHBondContact O-N 3.45Å |
| 484 | E | 83.3 | Confident | 86.6 | Confident | 103 Ų | 103 | 99.7 Ų | 99.7 | 48% | 0.481 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.3 | -39.6 | 175.6 | -71.5 | -60.5 | 135.8 | 0 | 0 | 111.9 | A480 A481 A486 R487 L488 | A480-E484 PolarHBondContact O-N 3.1Å; A481-E484 PolarHBondContact O-N 3.46Å; E484-A486 VanDerWaalsContact C-N 3.33Å; E484-A486 PolarHBondContact O-N 2.92Å; E484-R487 PolarHBondContact O-N 3.34Å; E484-R487 IonicContact OE1-NH1 3.25Å; E484-L488 WeakPolarHBondContact O-CG 3.41Å; E484-L488 PolarHBondContact O-N 2.77Å |
| 485 | E | 83.2 | Confident | 86.4 | Confident | 102 Ų | 102 | 102 Ų | 102 | 48% | 0.477 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.9 | -40.4 | 172.7 | -169.9 | -174.7 | 169 | 0 | 0 | 111.7 | A481 L488 K489 | A481-E485 WeakPolarHBondContact O-CB 3.22Å; A481-E485 PolarHBondContact O-N 2.9Å; E485-L488 PolarHBondContact O-N 3.41Å; E485-K489 HydrophobicContact CG-CD 4.35Å; E485-K489 WeakPolarHBondContact O-CB 3.31Å; E485-K489 WeakPolarHBondContact O-CG 3.38Å; E485-K489 PolarHBondContact O-N 2.87Å; E485-K489 WeakPolarHBondContact OE1-CE 3.35Å; E485-K489 IonicContact OE1-NZ 3.17Å; E485-K489 PolarHBondContact OE1-NZ 3.5Å |
| 486 | A | 85.7 | Confident | 86.4 | Confident | 55 Ų | 55 | 101.4 Ų | 101.4 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.8 | -41.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E482 A483 E484 K489 E490 | E482-A486 VanDerWaalsContact O-CB 3.26Å; E482-A486 WeakPolarHBondContact O-CB 3.26Å; E482-A486 PolarHBondContact O-N 3.31Å; A483-A486 PolarHBondContact O-N 2.93Å; E484-A486 VanDerWaalsContact C-N 3.33Å; E484-A486 PolarHBondContact O-N 2.92Å; A486-K489 PolarHBondContact O-N 3.42Å; A486-E490 WeakPolarHBondContact O-CB 3.44Å; A486-E490 PolarHBondContact O-N 2.99Å |
| 487 | R | 84.9 | Confident | 86.4 | Confident | 159 Ų | 159 | 98 Ų | 98 | 60% | 0.6 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.7 | -41.8 | 175.9 | -71 | -176.7 | 77 | -152.2 | -0.5 | 112.4 | A483 E484 E490 E491 | A483-R487 WeakPolarHBondContact O-CG 3.26Å; A483-R487 PolarHBondContact O-N 3.45Å; E484-R487 PolarHBondContact O-N 3.34Å; E484-R487 IonicContact OE1-NH1 3.25Å; R487-E490 PolarHBondContact O-N 2.98Å; R487-E491 WeakPolarHBondContact O-CB 3.48Å; R487-E491 PolarHBondContact O-N 3.29Å |
| 488 | L | 88.6 | Confident | 86.1 | Confident | 97 Ų | 97 | 99.6 Ų | 99.6 | 51% | 0.508 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.5 | -39.9 | 175.3 | -71.1 | 173.4 | 0 | 0 | 0 | 111.9 | E484 E485 E491 Q492 | E484-L488 WeakPolarHBondContact O-CG 3.41Å; E484-L488 PolarHBondContact O-N 2.77Å; E485-L488 PolarHBondContact O-N 3.41Å; L488-E491 PolarHBondContact O-N 3.39Å; L488-Q492 WeakPolarHBondContact O-CB 3.34Å; L488-Q492 VanDerWaalsContact O-CG 3.32Å; L488-Q492 WeakPolarHBondContact O-CG 3.43Å; L488-Q492 PolarHBondContact O-N 3.36Å |
| 489 | K | 88.6 | Confident | 85.9 | Confident | 117 Ų | 117 | 96.6 Ų | 96.6 | 51% | 0.509 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.1 | -39.5 | 173.9 | -75 | 174.7 | -175.8 | 169.5 | 0 | 112.5 | E485 A486 Q492 A493 | E485-K489 HydrophobicContact CG-CD 4.35Å; E485-K489 WeakPolarHBondContact O-CB 3.31Å; E485-K489 WeakPolarHBondContact O-CG 3.38Å; E485-K489 PolarHBondContact O-N 2.87Å; E485-K489 WeakPolarHBondContact OE1-CE 3.35Å; E485-K489 IonicContact OE1-NZ 3.17Å; E485-K489 PolarHBondContact OE1-NZ 3.5Å; A486-K489 PolarHBondContact O-N 3.42Å; K489-Q492 PolarHBondContact O-N 2.98Å; K489-A493 VanDerWaalsContact O-CB 3.26Å; K489-A493 WeakPolarHBondContact O-CB 3.44Å; K489-A493 PolarHBondContact O-N 3.32Å |
| 490 | E | 84 | Confident | 86.1 | Confident | 143 Ų | 143 | 93.9 Ų | 93.9 | 67% | 0.668 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.7 | -41.6 | 174.2 | -173.8 | 173.3 | -165.1 | 0 | 0 | 111.1 | A486 R487 A493 A494 | A486-E490 WeakPolarHBondContact O-CB 3.44Å; A486-E490 PolarHBondContact O-N 2.99Å; R487-E490 PolarHBondContact O-N 2.98Å; E490-A493 PolarHBondContact O-N 2.88Å; E490-A494 VanDerWaalsContact O-CB 3.28Å; E490-A494 WeakPolarHBondContact O-CB 3.38Å; E490-A494 PolarHBondContact O-N 2.9Å |
| 491 | E | 84.4 | Confident | 85.9 | Confident | 92 Ų | 92 | 97.7 Ų | 97.7 | 43% | 0.43 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.6 | -43.6 | 175.5 | -167.5 | -176.2 | 160.4 | 0 | 0 | 112.1 | R487 L488 A494 R495 | R487-E491 WeakPolarHBondContact O-CB 3.48Å; R487-E491 PolarHBondContact O-N 3.29Å; L488-E491 PolarHBondContact O-N 3.39Å; E491-A494 PolarHBondContact O-N 3.04Å; E491-R495 WeakPolarHBondContact O-CG 3.32Å; E491-R495 PolarHBondContact O-N 3.45Å; E491-R495 IonicContact OE1-CZ 3.87Å; E491-R495 VanDerWaalsContact OE1-CZ 3.3Å; E491-R495 IonicContact OE1-NE 2.72Å; E491-R495 PolarHBondContact OE1-NE 3.49Å; E491-R495 IonicContact OE1-NH2 3.3Å; E491-R495 PolarHBondContact OE1-NH2 2.94Å |
| 492 | Q | 85.2 | Confident | 85.8 | Confident | 125 Ų | 125 | 102 Ų | 102 | 58% | 0.584 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62 | -43.7 | 174 | -75.1 | 178.3 | 0.2 | 0 | 0 | 111.8 | L488 K489 A494 R495 L496 | L488-Q492 WeakPolarHBondContact O-CB 3.34Å; L488-Q492 VanDerWaalsContact O-CG 3.32Å; L488-Q492 WeakPolarHBondContact O-CG 3.43Å; L488-Q492 PolarHBondContact O-N 3.36Å; K489-Q492 PolarHBondContact O-N 2.98Å; Q492-A494 VanDerWaalsContact C-N 3.34Å; Q492-A494 PolarHBondContact O-N 2.96Å; Q492-R495 PolarHBondContact O-N 3.39Å; Q492-L496 WeakPolarHBondContact O-CB 3.44Å; Q492-L496 WeakPolarHBondContact O-CG 3.23Å; Q492-L496 PolarHBondContact O-N 3.12Å |
| 493 | A | 88.6 | Confident | 85.9 | Confident | 57 Ų | 57 | 99.6 Ų | 99.6 | 47% | 0.471 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.7 | -36.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | K489 E490 A497 | K489-A493 VanDerWaalsContact O-CB 3.26Å; K489-A493 WeakPolarHBondContact O-CB 3.44Å; K489-A493 PolarHBondContact O-N 3.32Å; E490-A493 PolarHBondContact O-N 2.88Å; A493-A497 VanDerWaalsContact O-CB 3.23Å; A493-A497 WeakPolarHBondContact O-CB 3.14Å; A493-A497 PolarHBondContact O-N 3.35Å |
| 494 | A | 87.2 | Confident | 86 | Confident | 56 Ų | 56 | 104 Ų | 104 | 46% | 0.463 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.6 | -44.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E490 E491 Q492 A497 E498 | E490-A494 VanDerWaalsContact O-CB 3.28Å; E490-A494 WeakPolarHBondContact O-CB 3.38Å; E490-A494 PolarHBondContact O-N 2.9Å; E491-A494 PolarHBondContact O-N 3.04Å; Q492-A494 VanDerWaalsContact C-N 3.34Å; Q492-A494 PolarHBondContact O-N 2.96Å; A494-A497 PolarHBondContact O-N 3.31Å; A494-E498 WeakPolarHBondContact O-CB 3.2Å; A494-E498 PolarHBondContact O-N 3.05Å |
| 495 | R | 87.5 | Confident | 86.1 | Confident | 159 Ų | 159 | 105.6 Ų | 105.6 | 60% | 0.6 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.9 | -46.5 | 174.6 | -71.6 | 176.8 | -174.6 | -151.3 | 5.7 | 111.7 | E491 Q492 A497 E498 E499 | E491-R495 WeakPolarHBondContact O-CG 3.32Å; E491-R495 PolarHBondContact O-N 3.45Å; E491-R495 IonicContact OE1-CZ 3.87Å; E491-R495 VanDerWaalsContact OE1-CZ 3.3Å; E491-R495 IonicContact OE1-NE 2.72Å; E491-R495 PolarHBondContact OE1-NE 3.49Å; E491-R495 IonicContact OE1-NH2 3.3Å; E491-R495 PolarHBondContact OE1-NH2 2.94Å; Q492-R495 PolarHBondContact O-N 3.39Å; R495-A497 VanDerWaalsContact C-N 3.32Å; R495-A497 PolarHBondContact O-N 3.33Å; R495-E498 PolarHBondContact O-N 2.71Å; R495-E499 WeakPolarHBondContact O-CB 3.43Å; R495-E499 PolarHBondContact O-N 2.86Å |
| 496 | L | 86.9 | Confident | 86.4 | Confident | 115 Ų | 115 | 103.6 Ų | 103.6 | 60% | 0.602 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.9 | -35.3 | 175.7 | -70.9 | 172.8 | 0 | 0 | 0 | 112.4 | Q492 A500 | Q492-L496 WeakPolarHBondContact O-CB 3.44Å; Q492-L496 WeakPolarHBondContact O-CG 3.23Å; Q492-L496 PolarHBondContact O-N 3.12Å; L496-A500 WeakPolarHBondContact O-CB 3.45Å; L496-A500 PolarHBondContact O-N 2.88Å |
| 497 | A | 86.6 | Confident | 86.3 | Confident | 50 Ų | 50 | 106.1 Ų | 106.1 | 41% | 0.413 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -70.9 | -38 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A493 A494 R495 Q501 | A493-A497 VanDerWaalsContact O-CB 3.23Å; A493-A497 WeakPolarHBondContact O-CB 3.14Å; A493-A497 PolarHBondContact O-N 3.35Å; A494-A497 PolarHBondContact O-N 3.31Å; R495-A497 VanDerWaalsContact C-N 3.32Å; R495-A497 PolarHBondContact O-N 3.33Å; A497-Q501 WeakPolarHBondContact O-CG 3.5Å; A497-Q501 PolarHBondContact O-N 3.29Å |
| 498 | E | 84.4 | Confident | 86.3 | Confident | 96 Ų | 96 | 104.8 Ų | 104.8 | 45% | 0.449 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.6 | -44.3 | 174 | -166.1 | -157.6 | 126.7 | 0 | 0 | 111.1 | A494 R495 A500 Q501 R502 | A494-E498 WeakPolarHBondContact O-CB 3.2Å; A494-E498 PolarHBondContact O-N 3.05Å; R495-E498 PolarHBondContact O-N 2.71Å; E498-A500 VanDerWaalsContact C-N 3.35Å; E498-A500 PolarHBondContact O-N 3.31Å; E498-Q501 CarbonylContact O-C 3.6Å; E498-Q501 WeakPolarHBondContact O-CB 3.46Å; E498-Q501 PolarHBondContact O-N 2.93Å; E498-Q501 VanDerWaalsContact O-N 3.08Å; E498-R502 PolarHBondContact O-N 2.88Å; E498-R502 IonicContact OE1-CZ 3.25Å; E498-R502 VanDerWaalsContact OE1-CZ 3.23Å; E498-R502 IonicContact OE1-NE 2.7Å; E498-R502 PolarHBondContact OE1-NE 3.44Å; E498-R502 IonicContact OE1-NH2 2.83Å; E498-R502 PolarHBondContact OE1-NH2 3.03Å |
| 499 | E | 84.4 | Confident | 86.3 | Confident | 123 Ų | 123 | 102.1 Ų | 102.1 | 58% | 0.575 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.5 | -43 | 175 | -173.5 | 175.1 | -172.2 | 0 | 0 | 111.2 | R495 Q501 R502 A503 | R495-E499 WeakPolarHBondContact O-CB 3.43Å; R495-E499 PolarHBondContact O-N 2.86Å; E499-Q501 VanDerWaalsContact C-N 3.27Å; E499-Q501 PolarHBondContact O-N 2.9Å; E499-R502 PolarHBondContact O-N 3.47Å; E499-A503 VanDerWaalsContact O-CB 3.3Å; E499-A503 WeakPolarHBondContact O-CB 3.34Å; E499-A503 PolarHBondContact O-N 3.05Å |
| 500 | A | 87.2 | Confident | 86.3 | Confident | 45 Ų | 45 | 99.1 Ų | 99.1 | 37% | 0.372 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.2 | -23.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L496 E498 K504 | L496-A500 WeakPolarHBondContact O-CB 3.45Å; L496-A500 PolarHBondContact O-N 2.88Å; E498-A500 VanDerWaalsContact C-N 3.35Å; E498-A500 PolarHBondContact O-N 3.31Å; A500-K504 WeakPolarHBondContact O-CD 3.43Å; A500-K504 WeakPolarHBondContact O-CG 3.47Å |
| 501 | Q | 84 | Confident | 86.5 | Confident | 136 Ų | 136 | 98.1 Ų | 98.1 | 64% | 0.636 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -77.1 | -49.8 | 169.6 | -77.9 | 179.2 | 11.4 | 0 | 0 | 110.9 | A497 E498 E499 A503 K504 E505 | A497-Q501 WeakPolarHBondContact O-CG 3.5Å; A497-Q501 PolarHBondContact O-N 3.29Å; E498-Q501 CarbonylContact O-C 3.6Å; E498-Q501 WeakPolarHBondContact O-CB 3.46Å; E498-Q501 PolarHBondContact O-N 2.93Å; E498-Q501 VanDerWaalsContact O-N 3.08Å; E499-Q501 VanDerWaalsContact C-N 3.27Å; E499-Q501 PolarHBondContact O-N 2.9Å; Q501-A503 VanDerWaalsContact C-N 3.27Å; Q501-A503 PolarHBondContact O-N 3.45Å; Q501-K504 PolarHBondContact O-N 3.44Å; Q501-E505 PolarHBondContact O-N 3.4Å |
| 502 | R | 84.4 | Confident | 86.5 | Confident | 152 Ų | 152 | 98.1 Ų | 98.1 | 57% | 0.574 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60 | -34.9 | 176.3 | -77.2 | -160.9 | -93.7 | 124.6 | -10.3 | 112.5 | E498 E499 A506 | E498-R502 PolarHBondContact O-N 2.88Å; E498-R502 IonicContact OE1-CZ 3.25Å; E498-R502 VanDerWaalsContact OE1-CZ 3.23Å; E498-R502 IonicContact OE1-NE 2.7Å; E498-R502 PolarHBondContact OE1-NE 3.44Å; E498-R502 IonicContact OE1-NH2 2.83Å; E498-R502 PolarHBondContact OE1-NH2 3.03Å; E499-R502 PolarHBondContact O-N 3.47Å; R502-A506 WeakPolarHBondContact O-CB 3.28Å; R502-A506 PolarHBondContact O-N 3.42Å |
| 503 | A | 87.4 | Confident | 86.4 | Confident | 59 Ų | 59 | 98.6 Ų | 98.6 | 49% | 0.488 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E499 Q501 E507 | E499-A503 VanDerWaalsContact O-CB 3.3Å; E499-A503 WeakPolarHBondContact O-CB 3.34Å; E499-A503 PolarHBondContact O-N 3.05Å; Q501-A503 VanDerWaalsContact C-N 3.27Å; Q501-A503 PolarHBondContact O-N 3.45Å; A503-E507 WeakPolarHBondContact O-CB 3.41Å; A503-E507 PolarHBondContact O-N 3.24Å |
| 504 | K | 88.8 | Confident | 86.3 | Confident | 143 Ų | 143 | 98.6 Ų | 98.6 | 62% | 0.622 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -70.2 | -42 | 176.8 | -73 | 171.1 | -175.9 | 173 | 0 | 112.2 | A500 Q501 E507 E508 | A500-K504 WeakPolarHBondContact O-CD 3.43Å; A500-K504 WeakPolarHBondContact O-CG 3.47Å; Q501-K504 PolarHBondContact O-N 3.44Å; K504-E507 PolarHBondContact O-N 3.07Å; K504-E508 WeakPolarHBondContact O-CB 3.39Å; K504-E508 PolarHBondContact O-N 2.87Å |
| 505 | E | 86.2 | Confident | 86.4 | Confident | 136 Ų | 136 | 100 Ų | 100 | 64% | 0.636 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.1 | -41 | 175.5 | -173.2 | 177.1 | 179.7 | 0 | 0 | 111.1 | Q501 E508 A509 | Q501-E505 PolarHBondContact O-N 3.4Å; E505-E508 PolarHBondContact O-N 3.49Å; E505-A509 WeakPolarHBondContact O-CB 3.3Å; E505-A509 PolarHBondContact O-N 3.29Å |
| 506 | A | 88.8 | Confident | 86.2 | Confident | 60 Ų | 60 | 98.4 Ų | 98.4 | 50% | 0.496 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.4 | -38.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R502 A510 | R502-A506 WeakPolarHBondContact O-CB 3.28Å; R502-A506 PolarHBondContact O-N 3.42Å; A506-A510 WeakPolarHBondContact O-CB 3.37Å; A506-A510 PolarHBondContact O-N 2.84Å |
| 507 | E | 84.7 | Confident | 86.3 | Confident | 109 Ų | 109 | 96.2 Ų | 96.2 | 51% | 0.509 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66 | -39.9 | 174.5 | -164.9 | -165.4 | 155.2 | 0 | 0 | 111.8 | A503 K504 K511 | A503-E507 WeakPolarHBondContact O-CB 3.41Å; A503-E507 PolarHBondContact O-N 3.24Å; K504-E507 PolarHBondContact O-N 3.07Å; E507-K511 WeakPolarHBondContact O-CD 3.27Å; E507-K511 VanDerWaalsContact O-CG 3.28Å; E507-K511 WeakPolarHBondContact O-CG 3.37Å; E507-K511 PolarHBondContact O-N 3.37Å; E507-K511 VanDerWaalsContact O-N 3.08Å; E507-K511 VanDerWaalsContact OE1-CE 3.3Å; E507-K511 WeakPolarHBondContact OE1-CE 3.4Å; E507-K511 IonicContact OE1-NZ 2.9Å; E507-K511 PolarHBondContact OE1-NZ 3.23Å |
| 508 | E | 84 | Confident | 86.3 | Confident | 130 Ų | 130 | 98.3 Ų | 98.3 | 61% | 0.607 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.9 | -44.7 | 175.6 | -171.4 | 169.7 | 172.2 | 0 | 0 | 111.6 | K504 E505 A510 K511 L512 | K504-E508 WeakPolarHBondContact O-CB 3.39Å; K504-E508 PolarHBondContact O-N 2.87Å; E505-E508 PolarHBondContact O-N 3.49Å; E508-A510 PolarHBondContact O-N 2.86Å; E508-K511 WeakPolarHBondContact O-CB 3.3Å; E508-K511 PolarHBondContact O-N 3.45Å; E508-L512 WeakPolarHBondContact O-CG 3.32Å; E508-L512 PolarHBondContact O-N 2.85Å |
| 509 | A | 89.4 | Confident | 86.4 | Confident | 42 Ų | 42 | 101.3 Ų | 101.3 | 35% | 0.347 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E505 K511 L512 Q513 | E505-A509 WeakPolarHBondContact O-CB 3.3Å; E505-A509 PolarHBondContact O-N 3.29Å; A509-K511 VanDerWaalsContact C-N 3.34Å; A509-K511 PolarHBondContact O-N 2.91Å; A509-L512 PolarHBondContact O-N 2.95Å; A509-Q513 WeakPolarHBondContact O-CB 3.29Å; A509-Q513 WeakPolarHBondContact O-CG 3.43Å; A509-Q513 PolarHBondContact O-N 2.87Å |
| 510 | A | 88 | Confident | 86.6 | Confident | 54 Ų | 54 | 100.9 Ų | 100.9 | 45% | 0.446 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.3 | -37.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A506 E508 A514 | A506-A510 WeakPolarHBondContact O-CB 3.37Å; A506-A510 PolarHBondContact O-N 2.84Å; E508-A510 PolarHBondContact O-N 2.86Å; A510-A514 VanDerWaalsContact O-CB 3.27Å; A510-A514 WeakPolarHBondContact O-CB 3.26Å; A510-A514 PolarHBondContact O-N 2.8Å |
| 511 | K | 88.2 | Confident | 86.7 | Confident | 121 Ų | 121 | 99.9 Ų | 99.9 | 53% | 0.526 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.2 | -41.8 | 172.9 | -74.4 | 165.9 | -173 | 165.8 | 0 | 112.1 | E507 E508 A509 A514 E515 | E507-K511 WeakPolarHBondContact O-CD 3.27Å; E507-K511 VanDerWaalsContact O-CG 3.28Å; E507-K511 WeakPolarHBondContact O-CG 3.37Å; E507-K511 PolarHBondContact O-N 3.37Å; E507-K511 VanDerWaalsContact O-N 3.08Å; E507-K511 VanDerWaalsContact OE1-CE 3.3Å; E507-K511 WeakPolarHBondContact OE1-CE 3.4Å; E507-K511 IonicContact OE1-NZ 2.9Å; E507-K511 PolarHBondContact OE1-NZ 3.23Å; E508-K511 WeakPolarHBondContact O-CB 3.3Å; E508-K511 PolarHBondContact O-N 3.45Å; A509-K511 VanDerWaalsContact C-N 3.34Å; A509-K511 PolarHBondContact O-N 2.91Å; K511-A514 PolarHBondContact O-N 3.3Å; K511-E515 PolarHBondContact O-N 3.32Å |
| 512 | L | 83.9 | Confident | 87.1 | Confident | 92 Ų | 92 | 98.5 Ų | 98.5 | 48% | 0.482 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.4 | -45.2 | 175.5 | -70.6 | 172.2 | 0 | 0 | 0 | 111.5 | E508 A509 A514 E515 E516 | E508-L512 WeakPolarHBondContact O-CG 3.32Å; E508-L512 PolarHBondContact O-N 2.85Å; A509-L512 PolarHBondContact O-N 2.95Å; L512-A514 VanDerWaalsContact C-N 3.33Å; L512-A514 PolarHBondContact O-N 3.47Å; L512-E515 PolarHBondContact O-N 3.44Å; L512-E516 WeakPolarHBondContact O-CB 3.27Å; L512-E516 WeakPolarHBondContact O-CG 3.38Å; L512-E516 PolarHBondContact O-N 2.9Å |
| 513 | Q | 83.4 | Confident | 87.2 | Confident | 136 Ų | 136 | 96.4 Ų | 96.4 | 64% | 0.636 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.9 | -37.6 | 174.5 | -73.8 | -176.4 | -5.2 | 0 | 0 | 112.6 | A509 S517 | A509-Q513 WeakPolarHBondContact O-CB 3.29Å; A509-Q513 WeakPolarHBondContact O-CG 3.43Å; A509-Q513 PolarHBondContact O-N 2.87Å; Q513-S517 VanDerWaalsContact O-CB 3.3Å; Q513-S517 WeakPolarHBondContact O-CB 3.24Å; Q513-S517 PolarHBondContact O-N 3.18Å; Q513-S517 PolarHBondContact O-OG 3.24Å |
| 514 | A | 87.6 | Confident | 87.3 | Confident | 56 Ų | 56 | 99 Ų | 99 | 46% | 0.463 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.3 | -42.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | A510 K511 L512 S517 E518 | A510-A514 VanDerWaalsContact O-CB 3.27Å; A510-A514 WeakPolarHBondContact O-CB 3.26Å; A510-A514 PolarHBondContact O-N 2.8Å; K511-A514 PolarHBondContact O-N 3.3Å; L512-A514 VanDerWaalsContact C-N 3.33Å; L512-A514 PolarHBondContact O-N 3.47Å; A514-S517 PolarHBondContact O-OG 3.42Å; A514-S517 VanDerWaalsContact O-OG 3.13Å; A514-E518 VanDerWaalsContact O-CB 3.29Å; A514-E518 WeakPolarHBondContact O-CB 3.3Å; A514-E518 PolarHBondContact O-N 2.95Å |
| 515 | E | 88.1 | Confident | 87.3 | Confident | 85 Ų | 85 | 99.8 Ų | 99.8 | 40% | 0.397 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.8 | -43.3 | 175.9 | -163.4 | -169.5 | 153.4 | 0 | 0 | 112.2 | K511 L512 E518 R519 | K511-E515 PolarHBondContact O-N 3.32Å; L512-E515 PolarHBondContact O-N 3.44Å; E515-E518 PolarHBondContact O-N 2.8Å; E515-R519 WeakPolarHBondContact O-CB 3.32Å; E515-R519 VanDerWaalsContact O-CG 3.31Å; E515-R519 WeakPolarHBondContact O-CG 3.29Å; E515-R519 PolarHBondContact O-N 3.49Å; E515-R519 IonicContact OE1-CZ 3.14Å; E515-R519 IonicContact OE1-NE 3.16Å; E515-R519 PolarHBondContact OE1-NE 2.91Å; E515-R519 IonicContact OE1-NH2 2.86Å; E515-R519 PolarHBondContact OE1-NH2 2.87Å |
| 516 | E | 83.6 | Confident | 87.3 | Confident | 126 Ų | 126 | 96 Ų | 96 | 59% | 0.589 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.6 | -45.3 | 178.1 | -75 | -173.9 | 163.2 | 0 | 0 | 111.9 | L512 R519 L520 | L512-E516 WeakPolarHBondContact O-CB 3.27Å; L512-E516 WeakPolarHBondContact O-CG 3.38Å; L512-E516 PolarHBondContact O-N 2.9Å; E516-R519 PolarHBondContact O-N 3.3Å; E516-L520 WeakPolarHBondContact O-CG 3.37Å; E516-L520 PolarHBondContact O-N 3.26Å |
| 517 | S | 88.5 | Confident | 87.3 | Confident | 69 Ų | 69 | 98.3 Ų | 98.3 | 48% | 0.483 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.6 | -35.2 | 174.7 | 58.6 | 0 | 0 | 0 | 0 | 112.4 | Q513 A514 L520 A521 | Q513-S517 VanDerWaalsContact O-CB 3.3Å; Q513-S517 WeakPolarHBondContact O-CB 3.24Å; Q513-S517 PolarHBondContact O-N 3.18Å; Q513-S517 PolarHBondContact O-OG 3.24Å; A514-S517 PolarHBondContact O-OG 3.42Å; A514-S517 VanDerWaalsContact O-OG 3.13Å; S517-L520 PolarHBondContact O-N 3.42Å; S517-A521 VanDerWaalsContact O-CB 3.28Å; S517-A521 WeakPolarHBondContact O-CB 3.34Å; S517-A521 PolarHBondContact O-N 3.27Å |
| 518 | E | 87.9 | Confident | 87.6 | Confident | 95 Ų | 95 | 98.7 Ų | 98.7 | 44% | 0.444 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66 | -39.1 | 172 | -158.4 | -155.1 | 171.3 | 0 | 0 | 111.9 | A514 E515 A521 K522 | A514-E518 VanDerWaalsContact O-CB 3.29Å; A514-E518 WeakPolarHBondContact O-CB 3.3Å; A514-E518 PolarHBondContact O-N 2.95Å; E515-E518 PolarHBondContact O-N 2.8Å; E518-A521 PolarHBondContact O-N 2.85Å; E518-K522 VanDerWaalsContact CD-CE 3.46Å; E518-K522 HydrophobicContact CG-CD 4.49Å; E518-K522 WeakPolarHBondContact O-CB 3.13Å; E518-K522 VanDerWaalsContact O-CG 3.25Å; E518-K522 WeakPolarHBondContact O-CG 3.45Å; E518-K522 PolarHBondContact O-N 3.24Å; E518-K522 WeakPolarHBondContact OE1-CE 3.26Å; E518-K522 IonicContact OE1-NZ 2.93Å; E518-K522 PolarHBondContact OE1-NZ 2.94Å; E518-K522 IonicContact OE2-NZ 2.65Å; E518-K522 PolarHBondContact OE2-NZ 2.99Å |
| 519 | R | 86.3 | Confident | 87.9 | Confident | 158 Ų | 158 | 96.9 Ų | 96.9 | 60% | 0.596 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.1 | -44 | 174 | -75.1 | 177 | -178.2 | -154.4 | 5.9 | 111.6 | E515 E516 K522 L523 | E515-R519 WeakPolarHBondContact O-CB 3.32Å; E515-R519 VanDerWaalsContact O-CG 3.31Å; E515-R519 WeakPolarHBondContact O-CG 3.29Å; E515-R519 PolarHBondContact O-N 3.49Å; E515-R519 IonicContact OE1-CZ 3.14Å; E515-R519 IonicContact OE1-NE 3.16Å; E515-R519 PolarHBondContact OE1-NE 2.91Å; E515-R519 IonicContact OE1-NH2 2.86Å; E515-R519 PolarHBondContact OE1-NH2 2.87Å; E516-R519 PolarHBondContact O-N 3.3Å; R519-K522 PolarHBondContact O-N 3.42Å; R519-L523 PolarHBondContact O-N 3.4Å |
| 520 | L | 88.6 | Confident | 88 | Confident | 114 Ų | 114 | 103.7 Ų | 103.7 | 60% | 0.597 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.5 | -44.9 | 174.9 | -72.3 | 173 | 0 | 0 | 0 | 111.5 | E516 S517 K522 L523 Q524 | E516-L520 WeakPolarHBondContact O-CG 3.37Å; E516-L520 PolarHBondContact O-N 3.26Å; S517-L520 PolarHBondContact O-N 3.42Å; L520-K522 VanDerWaalsContact C-N 3.32Å; L520-K522 PolarHBondContact O-N 2.87Å; L520-L523 WeakPolarHBondContact O-CB 3.47Å; L520-L523 PolarHBondContact O-N 2.93Å; L520-L523 VanDerWaalsContact O-N 3.13Å; L520-Q524 WeakPolarHBondContact O-CG 3.42Å; L520-Q524 PolarHBondContact O-N 3.27Å |
| 521 | A | 89.9 | Confident | 88.2 | Confident | 24 Ų | 24 | 104.7 Ų | 104.7 | 20% | 0.198 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -64.1 | -34.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S517 E518 R525 | S517-A521 VanDerWaalsContact O-CB 3.28Å; S517-A521 WeakPolarHBondContact O-CB 3.34Å; S517-A521 PolarHBondContact O-N 3.27Å; E518-A521 PolarHBondContact O-N 2.85Å; A521-R525 WeakPolarHBondContact O-CB 3.27Å; A521-R525 VanDerWaalsContact O-CG 3.25Å; A521-R525 WeakPolarHBondContact O-CG 3.35Å; A521-R525 PolarHBondContact O-N 2.87Å |
| 522 | K | 92.7 | Very high | 88.4 | Confident | 107 Ų | 107 | 104.5 Ų | 104.5 | 47% | 0.465 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.8 | -41 | 171.5 | -78 | 164.9 | -178.4 | 161.6 | 0 | 111.7 | E518 R519 L520 S526 | E518-K522 VanDerWaalsContact CD-CE 3.46Å; E518-K522 HydrophobicContact CG-CD 4.49Å; E518-K522 WeakPolarHBondContact O-CB 3.13Å; E518-K522 VanDerWaalsContact O-CG 3.25Å; E518-K522 WeakPolarHBondContact O-CG 3.45Å; E518-K522 PolarHBondContact O-N 3.24Å; E518-K522 WeakPolarHBondContact OE1-CE 3.26Å; E518-K522 IonicContact OE1-NZ 2.93Å; E518-K522 PolarHBondContact OE1-NZ 2.94Å; E518-K522 IonicContact OE2-NZ 2.65Å; E518-K522 PolarHBondContact OE2-NZ 2.99Å; R519-K522 PolarHBondContact O-N 3.42Å; L520-K522 VanDerWaalsContact C-N 3.32Å; L520-K522 PolarHBondContact O-N 2.87Å; K522-S526 PolarHBondContact O-N 3.06Å; K522-S526 VanDerWaalsContact O-N 3.12Å |
| 523 | L | 86.4 | Confident | 88.8 | Confident | 108 Ų | 108 | 107.4 Ų | 107.4 | 57% | 0.565 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.3 | -48.7 | 176.2 | -169.5 | 154.7 | 0 | 0 | 0 | 111 | R519 L520 R525 S526 E527 | R519-L523 PolarHBondContact O-N 3.4Å; L520-L523 WeakPolarHBondContact O-CB 3.47Å; L520-L523 PolarHBondContact O-N 2.93Å; L520-L523 VanDerWaalsContact O-N 3.13Å; L523-R525 PolarHBondContact O-N 3.35Å; L523-S526 WeakPolarHBondContact O-CB 3.28Å; L523-S526 PolarHBondContact O-N 2.84Å; L523-S526 VanDerWaalsContact O-N 3.13Å; L523-E527 PolarHBondContact O-N 3.23Å |
| 524 | Q | 88.6 | Confident | 89.4 | Confident | 115 Ų | 115 | 107.4 Ų | 107.4 | 54% | 0.537 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -57 | -49.2 | 176.3 | -74.6 | 177.6 | -30.6 | 0 | 0 | 112 | L520 S526 E527 E528 | L520-Q524 WeakPolarHBondContact O-CG 3.42Å; L520-Q524 PolarHBondContact O-N 3.27Å; Q524-S526 VanDerWaalsContact C-N 3.28Å; Q524-S526 PolarHBondContact O-N 3.38Å; Q524-E527 PolarHBondContact O-N 2.95Å; Q524-E527 VanDerWaalsContact O-N 3.09Å; Q524-E528 WeakPolarHBondContact O-CB 3.31Å; Q524-E528 WeakPolarHBondContact O-CG 3.33Å; Q524-E528 PolarHBondContact O-N 3.34Å |
| 525 | R | 87.8 | Confident | 89.8 | Confident | 159 Ų | 159 | 111.3 Ų | 111.3 | 60% | 0.6 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -58.1 | -38.4 | 175.8 | -73.2 | 175.5 | -170.9 | 126.1 | -1.9 | 112.5 | A521 L523 E529 | A521-R525 WeakPolarHBondContact O-CB 3.27Å; A521-R525 VanDerWaalsContact O-CG 3.25Å; A521-R525 WeakPolarHBondContact O-CG 3.35Å; A521-R525 PolarHBondContact O-N 2.87Å; L523-R525 PolarHBondContact O-N 3.35Å; R525-E529 WeakPolarHBondContact O-CB 3.3Å; R525-E529 PolarHBondContact O-N 3.48Å |
| 526 | S | 87.4 | Confident | 90.1 | Very high | 56 Ų | 56 | 114.4 Ų | 114.4 | 39% | 0.392 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.8 | -34 | 176.8 | -170 | 0 | 0 | 0 | 0 | 112.8 | K522 L523 Q524 R530 | K522-S526 PolarHBondContact O-N 3.06Å; K522-S526 VanDerWaalsContact O-N 3.12Å; L523-S526 WeakPolarHBondContact O-CB 3.28Å; L523-S526 PolarHBondContact O-N 2.84Å; L523-S526 VanDerWaalsContact O-N 3.13Å; Q524-S526 VanDerWaalsContact C-N 3.28Å; Q524-S526 PolarHBondContact O-N 3.38Å; S526-R530 WeakPolarHBondContact O-CG 3.34Å; S526-R530 PolarHBondContact O-N 2.93Å; S526-R530 VanDerWaalsContact O-N 3.08Å |
| 527 | E | 88.4 | Confident | 90.6 | Very high | 109 Ų | 109 | 113.4 Ų | 113.4 | 51% | 0.509 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -72.3 | -45.8 | 174.8 | -177.4 | 164.8 | -155 | 0 | 0 | 112 | L523 Q524 E529 R530 I531 | L523-E527 PolarHBondContact O-N 3.23Å; Q524-E527 PolarHBondContact O-N 2.95Å; Q524-E527 VanDerWaalsContact O-N 3.09Å; E527-E529 VanDerWaalsContact C-N 3.3Å; E527-E529 PolarHBondContact O-N 3.4Å; E527-R530 CarbonylContact O-C 3.59Å; E527-R530 WeakPolarHBondContact O-CA 3.32Å; E527-R530 WeakPolarHBondContact O-CB 3.36Å; E527-R530 PolarHBondContact O-N 3.08Å; E527-R530 VanDerWaalsContact O-N 3.09Å; E527-I531 HydrophobicContact CG-CD1 4.01Å; E527-I531 WeakPolarHBondContact O-CG1 3.3Å; E527-I531 PolarHBondContact O-N 3.35Å |
| 528 | E | 90.6 | Very high | 90.8 | Very high | 117 Ų | 117 | 113.9 Ų | 113.9 | 55% | 0.547 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -56.5 | -43.5 | 172 | -73.3 | 177.2 | 176.5 | 0 | 0 | 111.5 | Q524 R530 I531 L532 | Q524-E528 WeakPolarHBondContact O-CB 3.31Å; Q524-E528 WeakPolarHBondContact O-CG 3.33Å; Q524-E528 PolarHBondContact O-N 3.34Å; E528-R530 VanDerWaalsContact C-N 3.35Å; E528-R530 PolarHBondContact O-N 2.96Å; E528-I531 PolarHBondContact O-N 2.87Å; E528-L532 WeakPolarHBondContact O-CB 3.42Å; E528-L532 WeakPolarHBondContact O-CG 3.38Å; E528-L532 PolarHBondContact O-N 2.98Å |
| 529 | E | 91.8 | Very high | 91 | Very high | 92 Ų | 92 | 113.1 Ų | 113.1 | 43% | 0.43 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.6 | -40.8 | 175.4 | -160.6 | -163 | 168.1 | 0 | 0 | 111.8 | R525 E527 L532 R533 | R525-E529 WeakPolarHBondContact O-CB 3.3Å; R525-E529 PolarHBondContact O-N 3.48Å; E527-E529 VanDerWaalsContact C-N 3.3Å; E527-E529 PolarHBondContact O-N 3.4Å; E529-L532 PolarHBondContact O-N 2.85Å; E529-R533 WeakPolarHBondContact O-CB 3.39Å; E529-R533 WeakPolarHBondContact O-CG 3.43Å; E529-R533 PolarHBondContact O-N 2.82Å; E529-R533 IonicContact OE1-CZ 2.66Å; E529-R533 IonicContact OE1-NE 3.03Å; E529-R533 PolarHBondContact OE1-NE 3.36Å; E529-R533 IonicContact OE1-NH2 2.64Å; E529-R533 PolarHBondContact OE1-NH2 3.4Å; E529-R533 IonicContact OE2-NH2 3.83Å |
| 530 | R | 91.1 | Very high | 91.2 | Very high | 184 Ų | 184 | 109.6 Ų | 109.6 | 69% | 0.694 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.9 | -42.2 | 173.5 | -80.5 | 175.7 | 167.5 | 168.9 | -1.4 | 112 | S526 E527 E528 R533 K534 | S526-R530 WeakPolarHBondContact O-CG 3.34Å; S526-R530 PolarHBondContact O-N 2.93Å; S526-R530 VanDerWaalsContact O-N 3.08Å; E527-R530 CarbonylContact O-C 3.59Å; E527-R530 WeakPolarHBondContact O-CA 3.32Å; E527-R530 WeakPolarHBondContact O-CB 3.36Å; E527-R530 PolarHBondContact O-N 3.08Å; E527-R530 VanDerWaalsContact O-N 3.09Å; E528-R530 VanDerWaalsContact C-N 3.35Å; E528-R530 PolarHBondContact O-N 2.96Å; R530-R533 PolarHBondContact O-N 3.32Å; R530-K534 WeakPolarHBondContact O-CB 3.45Å; R530-K534 PolarHBondContact O-N 3.1Å |
| 531 | I | 91.8 | Very high | 91.1 | Very high | 76 Ų | 76 | 108.3 Ų | 108.3 | 39% | 0.39 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.8 | -42.9 | 176.9 | -68 | 165.2 | 0 | 0 | 0 | 110.4 | E527 E528 K534 K535 | E527-I531 HydrophobicContact CG-CD1 4.01Å; E527-I531 WeakPolarHBondContact O-CG1 3.3Å; E527-I531 PolarHBondContact O-N 3.35Å; E528-I531 PolarHBondContact O-N 2.87Å; I531-K534 PolarHBondContact O-N 2.89Å; I531-K535 HydrophobicContact CG2-CD 4.03Å; I531-K535 HydrophobicContact CG2-CG 4.39Å; I531-K535 WeakPolarHBondContact O-CB 3.28Å; I531-K535 VanDerWaalsContact O-CG 3.32Å; I531-K535 WeakPolarHBondContact O-CG 3.31Å; I531-K535 PolarHBondContact O-N 2.82Å |
| 532 | L | 92.2 | Very high | 91 | Very high | 116 Ų | 116 | 110.1 Ų | 110.1 | 61% | 0.607 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.9 | -44.6 | 175.3 | -77.1 | 167.1 | 0 | 0 | 0 | 112.1 | E528 E529 K534 K535 K536 | E528-L532 WeakPolarHBondContact O-CB 3.42Å; E528-L532 WeakPolarHBondContact O-CG 3.38Å; E528-L532 PolarHBondContact O-N 2.98Å; E529-L532 PolarHBondContact O-N 2.85Å; L532-K534 VanDerWaalsContact C-N 3.35Å; L532-K534 PolarHBondContact O-N 3.44Å; L532-K535 PolarHBondContact O-N 2.92Å; L532-K536 VanDerWaalsContact O-CB 3.31Å; L532-K536 WeakPolarHBondContact O-CB 3.48Å; L532-K536 PolarHBondContact O-N 3.49Å |
| 533 | R | 91.9 | Very high | 90.7 | Very high | 153 Ų | 153 | 114.5 Ų | 114.5 | 58% | 0.577 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -59.8 | -44.1 | 173.8 | -73.7 | 168.1 | 177.2 | -139.8 | 9 | 111 | E529 R530 K536 L537 | E529-R533 WeakPolarHBondContact O-CB 3.39Å; E529-R533 WeakPolarHBondContact O-CG 3.43Å; E529-R533 PolarHBondContact O-N 2.82Å; E529-R533 IonicContact OE1-CZ 2.66Å; E529-R533 IonicContact OE1-NE 3.03Å; E529-R533 PolarHBondContact OE1-NE 3.36Å; E529-R533 IonicContact OE1-NH2 2.64Å; E529-R533 PolarHBondContact OE1-NH2 3.4Å; E529-R533 IonicContact OE2-NH2 3.83Å; R530-R533 PolarHBondContact O-N 3.32Å; R533-K536 PolarHBondContact O-N 2.84Å; R533-L537 WeakPolarHBondContact O-CG 3.3Å; R533-L537 PolarHBondContact O-N 2.98Å |
| 534 | K | 95.5 | Very high | 90.8 | Very high | 137 Ų | 137 | 115.7 Ų | 115.7 | 60% | 0.596 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.6 | -51.8 | 175.1 | -174.5 | -176.5 | 174.9 | -174.3 | 0 | 111.6 | R530 I531 L532 K536 L537 D538 | R530-K534 WeakPolarHBondContact O-CB 3.45Å; R530-K534 PolarHBondContact O-N 3.1Å; I531-K534 PolarHBondContact O-N 2.89Å; L532-K534 VanDerWaalsContact C-N 3.35Å; L532-K534 PolarHBondContact O-N 3.44Å; K534-K536 VanDerWaalsContact C-N 3.25Å; K534-K536 PolarHBondContact O-N 3.18Å; K534-L537 CarbonylContact O-C 3.59Å; K534-L537 WeakPolarHBondContact O-CB 3.41Å; K534-L537 PolarHBondContact O-N 3.02Å; K534-D538 PolarHBondContact O-N 3.21Å |
| 535 | K | 95.8 | Very high | 90.5 | Very high | 137 Ų | 137 | 117.8 Ų | 117.8 | 60% | 0.596 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -55.5 | -39.2 | 175.8 | -75.6 | 175.7 | 177.8 | 178.5 | 0 | 112.1 | I531 L532 S539 | I531-K535 HydrophobicContact CG2-CD 4.03Å; I531-K535 HydrophobicContact CG2-CG 4.39Å; I531-K535 WeakPolarHBondContact O-CB 3.28Å; I531-K535 VanDerWaalsContact O-CG 3.32Å; I531-K535 WeakPolarHBondContact O-CG 3.31Å; I531-K535 PolarHBondContact O-N 2.82Å; L532-K535 PolarHBondContact O-N 2.92Å; K535-S539 VanDerWaalsContact O-CB 3.26Å; K535-S539 WeakPolarHBondContact O-CB 3.46Å; K535-S539 PolarHBondContact O-N 3.03Å |
| 536 | K | 95.8 | Very high | 89.5 | Confident | 150 Ų | 150 | 118.1 Ų | 118.1 | 65% | 0.652 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -66.8 | -42.2 | 175.4 | -173.1 | 173.4 | -178.5 | 175.6 | 0 | 112.1 | L532 R533 K534 S539 I540 | L532-K536 VanDerWaalsContact O-CB 3.31Å; L532-K536 WeakPolarHBondContact O-CB 3.48Å; L532-K536 PolarHBondContact O-N 3.49Å; R533-K536 PolarHBondContact O-N 2.84Å; K534-K536 VanDerWaalsContact C-N 3.25Å; K534-K536 PolarHBondContact O-N 3.18Å; K536-S539 PolarHBondContact O-N 3.36Å; K536-I540 HydrophobicContact CG-CD1 4.25Å; K536-I540 VanDerWaalsContact O-CG1 3.3Å; K536-I540 WeakPolarHBondContact O-CG1 3.49Å; K536-I540 PolarHBondContact O-N 3.32Å |
| 537 | L | 93.5 | Very high | 88.4 | Confident | 106 Ų | 106 | 120.6 Ų | 120.6 | 56% | 0.555 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.2 | -46.4 | 173.4 | -72.1 | 171 | 0 | 0 | 0 | 111.6 | R533 K534 S539 I540 M541 | R533-L537 WeakPolarHBondContact O-CG 3.3Å; R533-L537 PolarHBondContact O-N 2.98Å; K534-L537 CarbonylContact O-C 3.59Å; K534-L537 WeakPolarHBondContact O-CB 3.41Å; K534-L537 PolarHBondContact O-N 3.02Å; L537-S539 VanDerWaalsContact C-N 3.3Å; L537-S539 PolarHBondContact O-N 2.9Å; L537-I540 PolarHBondContact O-N 3Å; L537-I540 VanDerWaalsContact O-N 3.17Å; L537-M541 WeakPolarHBondContact O-CB 3.43Å; L537-M541 VanDerWaalsContact O-CG 3.31Å; L537-M541 WeakPolarHBondContact O-CG 3.34Å; L537-M541 PolarHBondContact O-N 3.43Å |
| 538 | D | 93.3 | Very high | 87 | Confident | 79 Ų | 79 | 122.5 Ų | 122.5 | 42% | 0.422 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -62.2 | -36.2 | 176.9 | -69.6 | -29.2 | 0 | 0 | 0 | 111.7 | K534 S542 | K534-D538 PolarHBondContact O-N 3.21Å; D538-S542 VanDerWaalsContact O-CB 3.26Å; D538-S542 WeakPolarHBondContact O-CB 3.32Å; D538-S542 PolarHBondContact O-N 3.21Å; D538-S542 PolarHBondContact O-OG 2.92Å |
| 539 | S | 92 | Very high | 85.3 | Confident | 78 Ų | 78 | 121.8 Ų | 121.8 | 55% | 0.545 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65 | -43.4 | 172.7 | -175.7 | 0 | 0 | 0 | 0 | 112.5 | K535 K536 L537 S542 R543 | K535-S539 VanDerWaalsContact O-CB 3.26Å; K535-S539 WeakPolarHBondContact O-CB 3.46Å; K535-S539 PolarHBondContact O-N 3.03Å; K536-S539 PolarHBondContact O-N 3.36Å; L537-S539 VanDerWaalsContact C-N 3.3Å; L537-S539 PolarHBondContact O-N 2.9Å; S539-S542 WeakPolarHBondContact CA-OG 3.3Å; S539-S542 PolarHBondContact O-OG 3.47Å; S539-S542 VanDerWaalsContact O-OG 3.05Å; S539-R543 PolarHBondContact O-N 3.41Å; S539-R543 VanDerWaalsContact O-N 3.14Å |
| 540 | I | 90.2 | Very high | 83.2 | Confident | 84 Ų | 84 | 123.2 Ų | 123.2 | 43% | 0.431 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -66.2 | -46.3 | 174.7 | -68.3 | 163.8 | 0 | 0 | 0 | 110.3 | K536 L537 S542 R543 I544 | K536-I540 HydrophobicContact CG-CD1 4.25Å; K536-I540 VanDerWaalsContact O-CG1 3.3Å; K536-I540 WeakPolarHBondContact O-CG1 3.49Å; K536-I540 PolarHBondContact O-N 3.32Å; L537-I540 PolarHBondContact O-N 3Å; L537-I540 VanDerWaalsContact O-N 3.17Å; I540-S542 PolarHBondContact O-N 2.96Å; I540-R543 WeakPolarHBondContact O-CB 3.31Å; I540-R543 PolarHBondContact O-N 3.2Å; I540-R543 VanDerWaalsContact O-N 3.14Å; I540-I544 HydrophobicContact CG2-CD1 3.71Å; I540-I544 HydrophobicContact CG2-CG1 4.48Å; I540-I544 WeakPolarHBondContact O-CG1 3.34Å; I540-I544 PolarHBondContact O-N 2.82Å |
| 541 | M | 87.5 | Confident | 81.1 | Confident | 88 Ų | 88 | 119.9 Ų | 119.9 | 43% | 0.433 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -64.9 | -37.4 | 179.8 | -73.4 | -179.6 | 68.1 | 0 | 0 | 112.6 | L537 R543 I544 K545 | L537-M541 WeakPolarHBondContact O-CB 3.43Å; L537-M541 VanDerWaalsContact O-CG 3.31Å; L537-M541 WeakPolarHBondContact O-CG 3.34Å; L537-M541 PolarHBondContact O-N 3.43Å; M541-R543 VanDerWaalsContact C-N 3.31Å; M541-I544 PolarHBondContact O-N 3.41Å; M541-K545 WeakPolarHBondContact O-CB 3.3Å; M541-K545 VanDerWaalsContact O-CG 3.3Å; M541-K545 WeakPolarHBondContact O-CG 3.5Å; M541-K545 PolarHBondContact O-N 3.03Å |
| 542 | S | 87 | Confident | 79 | Confident | 62 Ų | 62 | 123.3 Ų | 123.3 | 43% | 0.434 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -73.9 | -19.9 | 174.4 | 57.3 | 0 | 0 | 0 | 0 | 113.4 | D538 S539 I540 R546 | D538-S542 VanDerWaalsContact O-CB 3.26Å; D538-S542 WeakPolarHBondContact O-CB 3.32Å; D538-S542 PolarHBondContact O-N 3.21Å; D538-S542 PolarHBondContact O-OG 2.92Å; S539-S542 WeakPolarHBondContact CA-OG 3.3Å; S539-S542 PolarHBondContact O-OG 3.47Å; S539-S542 VanDerWaalsContact O-OG 3.05Å; I540-S542 PolarHBondContact O-N 2.96Å; S542-R546 PolarHBondContact O-NE 2.81Å |
| 543 | R | 86.8 | Confident | 76.7 | Confident | 199 Ų | 199 | 125.1 Ų | 125.1 | 75% | 0.751 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -77.9 | -36.7 | 167.7 | -166.5 | 174.4 | -176.8 | 172.2 | 1 | 112.2 | S539 I540 M541 | S539-R543 PolarHBondContact O-N 3.41Å; S539-R543 VanDerWaalsContact O-N 3.14Å; I540-R543 WeakPolarHBondContact O-CB 3.31Å; I540-R543 PolarHBondContact O-N 3.2Å; I540-R543 VanDerWaalsContact O-N 3.14Å; M541-R543 VanDerWaalsContact C-N 3.31Å |
| 544 | I | 87.6 | Confident | 74.6 | Confident | 132 Ų | 132 | 124.1 Ų | 124.1 | 68% | 0.677 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -78.7 | -40.2 | 177.9 | -65.2 | 168.7 | 0 | 0 | 0 | 112.2 | I540 M541 R546 | I540-I544 HydrophobicContact CG2-CD1 3.71Å; I540-I544 HydrophobicContact CG2-CG1 4.48Å; I540-I544 WeakPolarHBondContact O-CG1 3.34Å; I540-I544 PolarHBondContact O-N 2.82Å; M541-I544 PolarHBondContact O-N 3.41Å; I544-R546 VanDerWaalsContact C-N 3.25Å; I544-R546 PolarHBondContact O-N 3.06Å |
| 545 | K | 82 | Confident | 72.1 | Confident | 159 Ų | 159 | 124 Ų | 124 | 69% | 0.691 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -74.3 | -11.9 | 177.9 | -75.4 | -176.5 | 174.8 | -176.4 | 0 | 113.6 | M541 P547 | M541-K545 WeakPolarHBondContact O-CB 3.3Å; M541-K545 VanDerWaalsContact O-CG 3.3Å; M541-K545 WeakPolarHBondContact O-CG 3.5Å; M541-K545 PolarHBondContact O-N 3.03Å; K545-P547 VanDerWaalsContact O-CD 3.24Å; K545-P547 WeakPolarHBondContact O-CD 3.36Å; K545-P547 VanDerWaalsContact O-N 3.16Å |
| 546 | R | 68.4 | Low | 69.5 | Low | 167 Ų | 167 | 120.4 Ų | 120.4 | 63% | 0.63 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -65.9 | 113.2 | 170.6 | -128.8 | 179.9 | -62.8 | 171.4 | -2.6 | 106.5 | S542 I544 V548 | S542-R546 PolarHBondContact O-NE 2.81Å; I544-R546 VanDerWaalsContact C-N 3.25Å; I544-R546 PolarHBondContact O-N 3.06Å; R546-V548 PolarHBondContact O-N 3.26Å |
| 547 | P | 63.2 | Low | 66.9 | Low | 108 Ų | 108 | 119.7 Ų | 119.7 | 70% | 0.701 | 67% | 0.67 | S | S | * | * | trans | -59.1 | 141.3 | 176.5 | 26.8 | -33.6 | 0 | 0 | 0 | 107.8 | K545 S549 | K545-P547 VanDerWaalsContact O-CD 3.24Å; K545-P547 WeakPolarHBondContact O-CD 3.36Å; K545-P547 VanDerWaalsContact O-N 3.16Å; P547-S549 PolarHBondContact O-N 3.36Å | ||
| 548 | V | 59 | Low | 64.4 | Low | 148 Ų | 148 | 120.5 Ų | 120.5 | 90% | 0.897 | 68% | 0.679 | S | S | * | * | trans | -70.2 | 80.7 | 172.2 | -177 | 0 | 0 | 0 | 0 | 106.9 | R546 T550 | R546-V548 PolarHBondContact O-N 3.26Å; V548-T550 PolarHBondContact O-N 2.93Å | ||
| 549 | S | 54.7 | Low | 62.2 | Low | 103 Ų | 103 | 121 Ų | 121 | 72% | 0.72 | 69% | 0.69 | S | S | * | * | trans | -68.7 | 104.8 | 178.3 | 56.5 | 0 | 0 | 0 | 0 | 108.3 | P547 | P547-S549 PolarHBondContact O-N 3.36Š| ||
| 550 | T | 47.1 | Very low | 60 | Low | 121 Ų | 121 | 126.2 Ų | 126.2 | 74% | 0.742 | 71% | 0.705 | S | S | * | * | trans | -6.4 | 119.9 | 169.1 | -49.5 | 0 | 0 | 0 | 0 | 115.9 | V548 N552 | V548-T550 PolarHBondContact O-N 2.93Å; T550-N552 PolarHBondContact O-N 3.5Å | ||
| 551 | V | 47.8 | Very low | 57.8 | Low | 114 Ų | 114 | 127.7 Ų | 127.7 | 69% | 0.691 | 72% | 0.723 | S | S | * | * | trans | -45.1 | 116 | 164.9 | 178.9 | 0 | 0 | 0 | 0 | 110.5 | L553 | V551-L553 HydrophobicContact CG1-CD1 4.02Å; V551-L553 HydrophobicContact CG1-CG 4.02Å | ||
| 552 | N | 47 | Very low | 55.5 | Low | 148 Ų | 148 | 132.4 Ų | 132.4 | 79% | 0.791 | 74% | 0.744 | S | S | * | * | trans | -127.8 | 112.3 | 157.6 | -95.5 | -19.4 | 0 | 0 | 0 | 108.2 | T550 | T550-N552 PolarHBondContact O-N 3.5Š| ||
| 553 | L | 45.2 | Very low | 53.1 | Low | 154 Ų | 154 | 135.6 Ų | 135.6 | 81% | 0.806 | 77% | 0.765 | S | S | * | * | trans | -91.4 | 119.7 | 177.2 | -71.3 | 152.5 | 0 | 0 | 0 | 108.6 | V551 | V551-L553 HydrophobicContact CG1-CD1 4.02Å; V551-L553 HydrophobicContact CG1-CG 4.02Å | ||
| 554 | T | 46.5 | Very low | 50.9 | Low | 133 Ų | 133 | 131.8 Ų | 131.8 | 82% | 0.816 | 76% | 0.764 | S | S | * | * | trans | -139 | 110.3 | 167.3 | 44 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 555 | P | 44.8 | Very low | 48.6 | Very low | 134 Ų | 134 | 133.1 Ų | 133.1 | 87% | 0.87 | 77% | 0.77 | S | S | * | * | trans | -88.4 | 145.7 | 175.1 | 34.9 | -32.1 | 0 | 0 | 0 | 111.3 | ||||
| 556 | G | 40.3 | Very low | 46.6 | Very low | 62 Ų | 62 | 131 Ų | 131 | 64% | 0.639 | 77% | 0.767 | S | S | * | * | trans | 150.1 | 97.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 557 | T | 41.2 | Very low | 45.2 | Very low | 135 Ų | 135 | 132 Ų | 132 | 83% | 0.828 | 78% | 0.784 | S | S | * | * | 31.5 | 124.1 | 123.9 | 60.6 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 558 | T | 41.7 | Very low | 44.2 | Very low | 122 Ų | 122 | 134.7 Ų | 134.7 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | cis | -159.5 | 164.6 | 41.5 | 43.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 559 | S | 46.4 | Very low | 43.2 | Very low | 91 Ų | 91 | 133.5 Ų | 133.5 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | trans | 64.8 | 109 | 147.1 | 59.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 560 | E | 45.1 | Very low | 42.5 | Very low | 186 Ų | 186 | 134.1 Ų | 134.1 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | 89.9 | 148.9 | 127.9 | -68 | 171.1 | -151.8 | 0 | 0 | 122.4 | |||||
| 561 | S | 44.8 | Very low | 42.1 | Very low | 115 Ų | 115 | 135 Ų | 135 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | 76.3 | 72.4 | 177.1 | 65.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 562 | E | 38.2 | Very low | 41.7 | Very low | 187 Ų | 187 | 134.5 Ų | 134.5 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | 13.4 | 119.8 | 131.6 | -56.8 | 179.9 | 155.3 | 0 | 0 | 119.8 | ||||
| 563 | C | 38.3 | Very low | 41.4 | Very low | 130 Ų | 130 | 132.8 Ų | 132.8 | 88% | 0.878 | 78% | 0.777 | S | S | * | * | trans | -142.3 | 107.7 | 143.8 | -170 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 564 | T | 40.6 | Very low | 41.2 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 73% | 0.73 | 78% | 0.778 | S | S | * | * | trans | -81.3 | 122.6 | -164.1 | -55.9 | 0 | 0 | 0 | 0 | 112.8 | N566 | T564-N566 HydrophobicContact CG2-CB 4.48Å; T564-N566 PolarHBondContact O-N 3.02Å | ||
| 565 | I | 39.1 | Very low | 40.8 | Very low | 159 Ų | 159 | 132.9 Ų | 132.9 | 82% | 0.815 | 78% | 0.776 | S | S | * | * | trans | -77 | 109.2 | 163 | -49.4 | 165.4 | 0 | 0 | 0 | 107.4 | ||||
| 566 | N | 38.4 | Very low | 40.6 | Very low | 115 Ų | 115 | 130.9 Ų | 130.9 | 62% | 0.615 | 77% | 0.766 | S | S | * | * | trans | -173.8 | 128.4 | 157.6 | -102.1 | -24.2 | 0 | 0 | 0 | 112.5 | T564 | T564-N566 HydrophobicContact CG2-CB 4.48Å; T564-N566 PolarHBondContact O-N 3.02Å | ||
| 567 | L | 40.7 | Very low | 40.5 | Very low | 188 Ų | 188 | 135.4 Ų | 135.4 | 98% | 0.984 | 77% | 0.774 | S | S | * | * | trans | -144.9 | 76 | 147.9 | -90.8 | 116.3 | 0 | 0 | 0 | 108.4 | ||||
| 568 | Q | 41.2 | Very low | 40.6 | Very low | 165 Ų | 165 | 134.4 Ų | 134.4 | 77% | 0.771 | 77% | 0.768 | S | S | * | * | trans | -83.8 | 139.7 | 147 | -71.4 | 177.5 | -30 | 0 | 0 | 107.7 | ||||
| 569 | S | 38.8 | Very low | 41.1 | Very low | 122 Ų | 122 | 134.6 Ų | 134.6 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | 159.7 | 148.3 | 122.2 | -79.4 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 570 | T | 39 | Very low | 40.7 | Very low | 117 Ų | 117 | 141 Ų | 141 | 72% | 0.718 | 78% | 0.783 | S | S | * | * | trans | -89.4 | 176.1 | 176.9 | 53.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 571 | D | 40.1 | Very low | 40.3 | Very low | 140 Ų | 140 | 137.9 Ų | 137.9 | 75% | 0.749 | 78% | 0.777 | S | S | * | * | trans | 71.1 | 153.9 | 159.8 | -65.7 | -62.2 | 0 | 0 | 0 | 118 | ||||
| 572 | T | 38.9 | Very low | 40.2 | Very low | 102 Ų | 102 | 140.5 Ų | 140.5 | 63% | 0.626 | 78% | 0.78 | S | S | * | * | cis | 174.7 | 143.5 | -25.4 | -90.4 | 0 | 0 | 0 | 0 | 103.4 | ||||
| 573 | T | 39.4 | Very low | 40.5 | Very low | 112 Ų | 112 | 135.3 Ų | 135.3 | 69% | 0.687 | 77% | 0.77 | S | S | * | * | trans | 68.3 | 120.2 | 169.3 | 46.2 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 574 | Q | 41 | Very low | 41 | Very low | 178 Ų | 178 | 135 Ų | 135 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | trans | 68.1 | 115.4 | 132.5 | -62.6 | -174.2 | 57.6 | 0 | 0 | 121.1 | ||||
| 575 | S | 39.3 | Very low | 41.6 | Very low | 111 Ų | 111 | 134.6 Ų | 134.6 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | 144.6 | 135.6 | 102.7 | -161.7 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 576 | S | 39.3 | Very low | 41.9 | Very low | 92 Ų | 92 | 133.1 Ų | 133.1 | 64% | 0.643 | 76% | 0.762 | S | S | * | * | trans | 73.6 | 122.9 | 141.1 | -176.7 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 577 | L | 38.5 | Very low | 42.1 | Very low | 157 Ų | 157 | 135.5 Ų | 135.5 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | trans | 81.1 | 119.6 | 146.1 | -100.4 | 61 | 0 | 0 | 0 | 122.3 | ||||
| 578 | V | 44.5 | Very low | 42.1 | Very low | 114 Ų | 114 | 133.7 Ų | 133.7 | 69% | 0.691 | 76% | 0.756 | S | S | * | * | trans | -25.4 | 148.9 | 157.7 | -78.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 579 | P | 50.7 | Low | 42.1 | Very low | 127 Ų | 127 | 131.5 Ų | 131.5 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 136.7 | 154.1 | 35 | -27.8 | 0 | 0 | 0 | 112.5 | ||
| 580 | Y | 39.8 | Very low | 42.2 | Very low | 224 Ų | 224 | 133.4 Ų | 133.4 | 88% | 0.878 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 160.7 | 173.6 | -105.4 | -96.2 | 0 | 0 | 0 | 113 | ||
| 581 | T | 36.3 | Very low | 42.2 | Very low | 121 Ų | 121 | 137 Ų | 137 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 153 | 175.7 | -44.1 | 0 | 0 | 0 | 0 | 115.7 | ||
| 582 | I | 42.4 | Very low | 42.3 | Very low | 170 Ų | 170 | 139.2 Ų | 139.2 | 87% | 0.872 | 77% | 0.769 | S | S | * | * | trans | -179 | 145.4 | 142.4 | -92.1 | 146.3 | 0 | 0 | 0 | 107.5 | ||||
| 583 | A | 44.5 | Very low | 42.5 | Very low | 79 Ų | 79 | 139 Ų | 139 | 65% | 0.653 | 77% | 0.77 | S | S | * | * | cis | -170 | 150.6 | -31.5 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 584 | S | 49.7 | Very low | 42.6 | Very low | 124 Ų | 124 | 139.9 Ų | 139.9 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | trans | -175.8 | 141.8 | 139.5 | -101 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 585 | P | 51.3 | Low | 42.9 | Very low | 110 Ų | 110 | 138.3 Ų | 138.3 | 71% | 0.714 | 77% | 0.771 | S | S | * | * | trans | -112.7 | 157.8 | -167.3 | 40.7 | -31.8 | 0 | 0 | 0 | 114.4 | ||||
| 586 | D | 45.6 | Very low | 43 | Very low | 128 Ų | 128 | 140.5 Ų | 140.5 | 68% | 0.684 | 77% | 0.774 | S | S | * | * | -171 | 126.2 | 107.3 | -114.2 | -18.4 | 0 | 0 | 0 | 115.2 | |||||
| 587 | K | 43.6 | Very low | 43.6 | Very low | 165 Ų | 165 | 142.7 Ų | 142.7 | 72% | 0.717 | 78% | 0.783 | S | S | * | * | trans | 64 | 126.2 | 137.1 | -75.4 | 164.7 | -165.4 | -65.9 | 0 | 124.2 | ||||
| 588 | I | 40.5 | Very low | 43.9 | Very low | 149 Ų | 149 | 143.9 Ų | 143.9 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | trans | 82.9 | 89.7 | 146.1 | -58.2 | 157.5 | 0 | 0 | 0 | 114.8 | ||||
| 589 | V | 40.8 | Very low | 43.7 | Very low | 119 Ų | 119 | 142.7 Ų | 142.7 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | 80.8 | 101.5 | 72.8 | 170.8 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 590 | N | 41.3 | Very low | 43.7 | Very low | 162 Ų | 162 | 142.9 Ų | 142.9 | 87% | 0.866 | 79% | 0.788 | S | S | * | * | -171.3 | 146.9 | 117.9 | -90.6 | -32.8 | 0 | 0 | 0 | 110.5 | |||||
| 591 | Q | 38.1 | Very low | 43.7 | Very low | 192 Ų | 192 | 141.7 Ų | 141.7 | 90% | 0.897 | 79% | 0.787 | S | S | * | * | trans | -114.8 | 149.3 | -174.9 | -65 | 171.8 | -12 | 0 | 0 | 110.8 | ||||
| 592 | E | 42 | Very low | 44 | Very low | 188 Ų | 188 | 145 Ų | 145 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | -171.7 | 165.7 | 128.3 | -103.4 | -137.5 | 110.1 | 0 | 0 | 110.9 | |||||
| 593 | P | 43.8 | Very low | 43.8 | Very low | 98 Ų | 98 | 145.4 Ų | 145.4 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | -115.4 | 170.6 | -129.7 | 41.7 | -36.9 | 0 | 0 | 0 | 116.2 | |||||
| 594 | T | 40.9 | Very low | 43.8 | Very low | 129 Ų | 129 | 149.3 Ų | 149.3 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | trans | -115.8 | 136.7 | 162.6 | -59.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 595 | I | 47.4 | Very low | 43.5 | Very low | 146 Ų | 146 | 150.6 Ų | 150.6 | 75% | 0.749 | 80% | 0.8 | S | S | * | * | trans | -93.8 | 112.5 | -178.1 | -61.3 | 167.3 | 0 | 0 | 0 | 108.7 | V597 | I595-V597 HydrophobicContact CG2-CG2 4.08Š| ||
| 596 | D | 42.5 | Very low | 42.8 | Very low | 157 Ų | 157 | 149.5 Ų | 149.5 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | trans | -115.2 | 128.7 | 159.8 | -85.6 | -48.5 | 0 | 0 | 0 | 108.3 | ||||
| 597 | V | 50.9 | Low | 42.8 | Very low | 138 Ų | 138 | 148.5 Ų | 148.5 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | trans | -97.9 | 111.4 | -179.1 | 175.7 | 0 | 0 | 0 | 0 | 109.7 | I595 | I595-V597 HydrophobicContact CG2-CG2 4.08Š| ||
| 598 | E | 44.6 | Very low | 42.9 | Very low | 181 Ų | 181 | 149.3 Ų | 149.3 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 145.7 | 179.4 | -170.9 | 175.2 | -165.3 | 0 | 0 | 112.1 | ||
| 599 | A | 42 | Very low | 43 | Very low | 90 Ų | 90 | 148.4 Ų | 148.4 | 74% | 0.744 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 123.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 600 | P | 50.6 | Low | 43 | Very low | 130 Ų | 130 | 153.9 Ų | 153.9 | 84% | 0.844 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 132.6 | -176.7 | 31.7 | -33.5 | 0 | 0 | 0 | 112.8 | ||
| 601 | K | 38.1 | Very low | 42.9 | Very low | 199 Ų | 199 | 149 Ų | 149 | 87% | 0.865 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -97.7 | 143.4 | 158.7 | -68 | 174.9 | 179.3 | 172.9 | 0 | 109 | ||
| 602 | M | 43.5 | Very low | 42.9 | Very low | 190 Ų | 190 | 146.4 Ų | 146.4 | 94% | 0.936 | 80% | 0.8 | S | S | * | * | trans | -140.3 | 143.5 | 150.4 | -80.9 | -137.5 | -59.6 | 0 | 0 | 110.9 | ||||
| 603 | E | 37.4 | Very low | 42.8 | Very low | 180 Ų | 180 | 142.1 Ų | 142.1 | 84% | 0.841 | 79% | 0.791 | S | S | * | * | trans | -74.7 | 161.6 | 175.2 | -62.3 | 163 | 122 | 0 | 0 | 110.7 | ||||
| 604 | I | 45.6 | Very low | 42.4 | Very low | 161 Ų | 161 | 145.5 Ų | 145.5 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | 160.6 | 140.6 | 107.5 | -84.6 | 166.1 | 0 | 0 | 0 | 104.8 | |||||
| 605 | N | 43.1 | Very low | 42.3 | Very low | 150 Ų | 150 | 142.8 Ų | 142.8 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | cis | -141.6 | -172.8 | 2.1 | -150.9 | -14.8 | 0 | 0 | 0 | 110.2 | ||||
| 606 | A | 36 | Very low | 41.8 | Very low | 87 Ų | 87 | 147.1 Ų | 147.1 | 72% | 0.719 | 81% | 0.809 | S | S | * | * | trans | -134.6 | 134.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 607 | S | 46.3 | Very low | 41.7 | Very low | 108 Ų | 108 | 145.1 Ų | 145.1 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | trans | -147.7 | 135.3 | 169.4 | -66 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 608 | E | 44.6 | Very low | 41 | Very low | 181 Ų | 181 | 142.5 Ų | 142.5 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | 61.2 | 126.8 | 162.7 | -60.9 | -178.5 | 135.7 | 0 | 0 | 118.8 | ||||
| 609 | I | 43.5 | Very low | 40.7 | Very low | 130 Ų | 130 | 140 Ų | 140 | 67% | 0.667 | 78% | 0.784 | S | S | * | * | cis | 133.6 | 121.6 | 0.2 | -84.5 | 168.4 | 0 | 0 | 0 | 107.8 | ||||
| 610 | Y | 40.9 | Very low | 40.6 | Very low | 234 Ų | 234 | 145.3 Ų | 145.3 | 92% | 0.918 | 79% | 0.786 | S | S | * | * | trans | 58.3 | 143.2 | 178.8 | -52.1 | -55.2 | 0 | 0 | 0 | 116.6 | ||||
| 611 | G | 39.3 | Very low | 40.1 | Very low | 61 Ų | 61 | 147 Ų | 147 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | cis | 171.1 | 165.7 | -3.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 612 | T | 38.2 | Very low | 40.3 | Very low | 136 Ų | 136 | 145 Ų | 145 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | trans | 64.4 | 104.6 | 163.7 | 55.2 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 613 | S | 39.4 | Very low | 40.2 | Very low | 98 Ų | 98 | 141.1 Ų | 141.1 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | 64.5 | 121.2 | 126.9 | 66.7 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 614 | N | 36.3 | Very low | 40.4 | Very low | 169 Ų | 169 | 137.8 Ų | 137.8 | 90% | 0.904 | 76% | 0.755 | S | S | * | * | trans | 53.9 | 96.5 | 131.8 | -58.3 | -16.3 | 0 | 0 | 0 | 119.5 | ||||
| 615 | G | 38.8 | Very low | 39.9 | Very low | 73 Ų | 73 | 136.3 Ų | 136.3 | 75% | 0.753 | 75% | 0.749 | S | S | * | * | trans | -174.6 | 116.5 | 161 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 616 | R | 37 | Very low | 39.6 | Very low | 237 Ų | 237 | 137.1 Ų | 137.1 | 89% | 0.894 | 75% | 0.748 | S | S | * | * | trans | -88.2 | 126 | 172.3 | 177.4 | -169.8 | 180 | -151.4 | 1.7 | 110.1 | ||||
| 617 | P | 39.8 | Very low | 39.6 | Very low | 115 Ų | 115 | 138.4 Ų | 138.4 | 75% | 0.747 | 75% | 0.752 | S | S | * | * | -134.3 | 149.5 | 128.3 | 29.8 | -14.1 | 0 | 0 | 0 | 110.6 | |||||
| 618 | S | 37 | Very low | 39.2 | Very low | 83 Ų | 83 | 138.5 Ų | 138.5 | 58% | 0.58 | 75% | 0.752 | S | S | * | * | cis | 87 | 89.8 | 36 | -169.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 619 | L | 38.4 | Very low | 38.7 | Very low | 129 Ų | 129 | 138.6 Ų | 138.6 | 68% | 0.675 | 76% | 0.758 | S | S | * | * | trans | 83.6 | 147.6 | 138.7 | -72.6 | 170.5 | 0 | 0 | 0 | 122.7 | ||||
| 620 | Y | 38 | Very low | 38.4 | Very low | 201 Ų | 201 | 137.4 Ų | 137.4 | 79% | 0.788 | 76% | 0.761 | S | S | * | * | trans | 71.2 | 145.7 | 166 | -58.4 | -64.2 | 0 | 0 | 0 | 116.2 | ||||
| 621 | E | 41.8 | Very low | 38 | Very low | 164 Ų | 164 | 134.2 Ų | 134.2 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | cis | -134.4 | 147.7 | 15.6 | -79.3 | -171.8 | 154.9 | 0 | 0 | 111 | ||||
| 622 | E | 42.4 | Very low | 37.9 | Very low | 157 Ų | 157 | 137.5 Ų | 137.5 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | 71.3 | 144.2 | 96.7 | -158.1 | 167.9 | -161.7 | 0 | 0 | 113.9 | |||||
| 623 | T | 40 | Very low | 37.7 | Very low | 109 Ų | 109 | 138.8 Ų | 138.8 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | cis | -150 | 131 | 19.7 | -1.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 624 | V | 41.6 | Very low | 37.7 | Very low | 111 Ų | 111 | 141.7 Ų | 141.7 | 67% | 0.673 | 78% | 0.775 | S | S | * | * | 102 | 128.2 | 93.5 | 160.2 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 625 | N | 36.5 | Very low | 37.9 | Very low | 129 Ų | 129 | 142.7 Ų | 142.7 | 69% | 0.69 | 77% | 0.774 | S | S | * | * | trans | 65.4 | 149.9 | 158.9 | -69.5 | -13.3 | 0 | 0 | 0 | 121.7 | ||||
| 626 | Q | 36.2 | Very low | 37.9 | Very low | 168 Ų | 168 | 146 Ų | 146 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | cis | -175.3 | 125.4 | -35.7 | -123.5 | -173.6 | 83.8 | 0 | 0 | 107.9 | ||||
| 627 | S | 36.5 | Very low | 38 | Very low | 113 Ų | 113 | 142.7 Ų | 142.7 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | 154.6 | 159.5 | 147.8 | 55.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 628 | S | 37.9 | Very low | 38 | Very low | 110 Ų | 110 | 145.7 Ų | 145.7 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | 75.1 | 68.8 | 168.8 | -48.7 | 0 | 0 | 0 | 0 | 117.4 | S630 | S628-S630 PolarHBondContact O-N 3.29Š| ||
| 629 | L | 33 | Very low | 38.4 | Very low | 183 Ų | 183 | 150.8 Ų | 150.8 | 96% | 0.958 | 80% | 0.795 | S | S | * | * | trans | -67.7 | 116.7 | 165.7 | -71.2 | 170.1 | 0 | 0 | 0 | 111.3 | ||||
| 630 | S | 38.3 | Very low | 38.5 | Very low | 106 Ų | 106 | 152.6 Ų | 152.6 | 74% | 0.741 | 81% | 0.806 | S | S | * | * | trans | -136.9 | 135.9 | 159.9 | 54 | 0 | 0 | 0 | 0 | 109.1 | S628 T632 | S628-S630 PolarHBondContact O-N 3.29Å; S630-T632 PolarHBondContact O-N 2.96Å | ||
| 631 | N | 32.4 | Very low | 38.5 | Very low | 166 Ų | 166 | 150.5 Ų | 150.5 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | trans | -77.9 | 113.1 | -164.7 | -63.1 | -52.7 | 0 | 0 | 0 | 112.4 | ||||
| 632 | T | 35.5 | Very low | 38.6 | Very low | 131 Ų | 131 | 148.5 Ų | 148.5 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -141.8 | 146.4 | 156.7 | 51.2 | 0 | 0 | 0 | 0 | 111.2 | S630 | S630-T632 PolarHBondContact O-N 2.96Š| ||
| 633 | L | 35.4 | Very low | 38.4 | Very low | 162 Ų | 162 | 147 Ų | 147 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | trans | 60.4 | 108.4 | 163.5 | -119.1 | 65.3 | 0 | 0 | 0 | 118.2 | ||||
| 634 | I | 39.5 | Very low | 38.3 | Very low | 159 Ų | 159 | 149 Ų | 149 | 82% | 0.815 | 81% | 0.81 | S | S | * | * | -165.2 | 106.9 | 103.8 | -85.3 | 145.4 | 0 | 0 | 0 | 106.2 | |||||
| 635 | E | 39.1 | Very low | 37.9 | Very low | 191 Ų | 191 | 147.7 Ų | 147.7 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | trans | -122.1 | 80.2 | 167.7 | -158.1 | 177 | -142.2 | 0 | 0 | 107.6 | ||||
| 636 | N | 38.6 | Very low | 38.3 | Very low | 142 Ų | 142 | 147.1 Ų | 147.1 | 76% | 0.759 | 80% | 0.799 | S | S | * | * | trans | -154.7 | 103.5 | 172.3 | -87.5 | -45.9 | 0 | 0 | 0 | 107.5 | ||||
| 637 | D | 40.2 | Very low | 38.5 | Very low | 167 Ų | 167 | 145 Ų | 145 | 89% | 0.893 | 79% | 0.789 | S | S | * | * | trans | 159.6 | 84.2 | 145.5 | -85.7 | -15.5 | 0 | 0 | 0 | 111.3 | ||||
| 638 | L | 40 | Very low | 38.6 | Very low | 179 Ų | 179 | 145.1 Ų | 145.1 | 94% | 0.937 | 78% | 0.781 | S | S | * | * | trans | -143.8 | 53.5 | 168.5 | -104.4 | 168.2 | 0 | 0 | 0 | 111.5 | ||||
| 639 | K | 44.4 | Very low | 38.7 | Very low | 190 Ų | 190 | 147.6 Ų | 147.6 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | trans | -139.2 | 102.9 | 166 | -73.5 | -179.9 | -177.5 | 167.7 | 0 | 110 | ||||
| 640 | N | 41.8 | Very low | 39.3 | Very low | 167 Ų | 167 | 144.8 Ų | 144.8 | 89% | 0.893 | 77% | 0.77 | S | S | * | * | trans | 155.3 | 103.8 | 144.2 | -78.2 | -20.5 | 0 | 0 | 0 | 110.2 | ||||
| 641 | N | 36.4 | Very low | 39.6 | Very low | 156 Ų | 156 | 145 Ų | 145 | 83% | 0.834 | 77% | 0.769 | S | S | * | * | trans | -116.9 | 121 | 166.2 | 179.6 | 0.7 | 0 | 0 | 0 | 107.8 | ||||
| 642 | V | 44.4 | Very low | 39.9 | Very low | 123 Ų | 123 | 142.7 Ų | 142.7 | 75% | 0.745 | 77% | 0.766 | S | S | * | * | trans | -132 | 109 | 176.2 | -179 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 643 | N | 37.9 | Very low | 39.9 | Very low | 126 Ų | 126 | 141.9 Ų | 141.9 | 67% | 0.674 | 76% | 0.761 | S | S | * | * | trans | 11.8 | 132.4 | 151.3 | -52.8 | -31.2 | 0 | 0 | 0 | 119.5 | ||||
| 644 | N | 37.9 | Very low | 40 | Very low | 149 Ų | 149 | 140.3 Ų | 140.3 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | 178.2 | 139.4 | 111.3 | -85.7 | -28.5 | 0 | 0 | 0 | 114.3 | R261 | R261-N644 PolarHBondContact NH2-O 3.48Š| |||
| 645 | T | 34.9 | Very low | 39.8 | Very low | 85 Ų | 85 | 138.5 Ų | 138.5 | 52% | 0.521 | 76% | 0.755 | S | S | . | * | trans | -125.9 | 151.4 | -172.1 | -57.7 | 0 | 0 | 0 | 0 | 111.7 | Q262 P263 | Q262-T645 WeakPolarHBondContact O-CG2 3.46Å; P263-T645 HydrophobicContact CG-CG2 4.04Å | ||
| 646 | L | 44.5 | Very low | 39.7 | Very low | 116 Ų | 116 | 133.9 Ų | 133.9 | 61% | 0.607 | 75% | 0.749 | S | S | * | * | trans | -169 | 120.4 | 162.6 | -162.9 | 70.7 | 0 | 0 | 0 | 111.3 | R261 | R261-L646 WeakPolarHBondContact CD-O 3.16Å; R261-L646 VanDerWaalsContact NH1-N 3.17Å; R261-L646 PolarHBondContact NH1-O 3.14Å | ||
| 647 | E | 39.3 | Very low | 40 | Very low | 123 Ų | 123 | 134.6 Ų | 134.6 | 58% | 0.575 | 75% | 0.751 | S | S | * | * | trans | 22.2 | 160.4 | 148.9 | -40.3 | -44.4 | 106.2 | 0 | 0 | 122 | ||||
| 648 | D | 39.8 | Very low | 40 | Very low | 117 Ų | 117 | 134.9 Ų | 134.9 | 63% | 0.626 | 75% | 0.753 | S | S | * | * | cis | -158 | 152.6 | 24.9 | -110.7 | -40.1 | 0 | 0 | 0 | 114.9 | ||||
| 649 | H | 38.6 | Very low | 40 | Very low | 162 Ų | 162 | 130.1 Ų | 130.1 | 75% | 0.75 | 75% | 0.747 | S | S | * | * | trans | 32.3 | 113.4 | 150.3 | -68.2 | -50.5 | 0 | 0 | 0 | 127.4 | ||||
| 650 | V | 46.8 | Very low | 39.6 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 75% | 0.752 | 75% | 0.753 | S | S | * | * | 83.6 | 164.8 | 90.4 | -115.1 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 651 | P | 44.7 | Very low | 39.6 | Very low | 111 Ų | 111 | 127.2 Ų | 127.2 | 72% | 0.721 | 75% | 0.747 | S | S | * | * | -136.7 | -178.5 | -109.6 | 48.6 | -30.5 | 0 | 0 | 0 | 119.8 | |||||
| 652 | S | 37.1 | Very low | 39.8 | Very low | 116 Ų | 116 | 125 Ų | 125 | 81% | 0.811 | 74% | 0.743 | S | S | * | * | trans | -175 | 177.8 | 144.1 | -90.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 653 | T | 36.4 | Very low | 39.5 | Very low | 115 Ų | 115 | 126.6 Ų | 126.6 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | cis | -176 | 153.2 | -45.4 | -67.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 654 | T | 36.6 | Very low | 40 | Very low | 128 Ų | 128 | 128.8 Ų | 128.8 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | 86.9 | 148.2 | 166 | -39.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 655 | T | 36.4 | Very low | 40 | Very low | 121 Ų | 121 | 130.8 Ų | 130.8 | 74% | 0.742 | 76% | 0.761 | S | S | * | * | cis | -166.9 | 147.9 | -40 | -80.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 656 | A | 37 | Very low | 40.4 | Very low | 94 Ų | 94 | 134.2 Ų | 134.2 | 78% | 0.777 | 78% | 0.776 | S | S | * | * | trans | -105.5 | 150.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 657 | I | 45.6 | Very low | 40.2 | Very low | 157 Ų | 157 | 134.1 Ų | 134.1 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | trans | -138.4 | 124.4 | 172.5 | -48.6 | 177.7 | 0 | 0 | 0 | 109.6 | ||||
| 658 | N | 38.9 | Very low | 40.1 | Very low | 173 Ų | 173 | 133.8 Ų | 133.8 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | trans | -120.3 | 143.8 | 164.7 | -84.5 | -28.8 | 0 | 0 | 0 | 108.3 | ||||
| 659 | G | 40.5 | Very low | 39.8 | Very low | 79 Ų | 79 | 135.3 Ų | 135.3 | 81% | 0.814 | 80% | 0.799 | S | S | * | * | trans | -145.7 | 121.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 660 | E | 36.7 | Very low | 39.8 | Very low | 206 Ų | 206 | 135.5 Ų | 135.5 | 96% | 0.963 | 81% | 0.806 | S | S | * | * | trans | -91.6 | 146.8 | 171.5 | -63.9 | -176.5 | 138.6 | 0 | 0 | 110 | ||||
| 661 | A | 40.2 | Very low | 39.3 | Very low | 91 Ų | 91 | 139.4 Ų | 139.4 | 75% | 0.752 | 81% | 0.808 | S | S | * | * | trans | -140.9 | 111.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 662 | S | 41 | Very low | 39.1 | Very low | 109 Ų | 109 | 142.6 Ų | 142.6 | 76% | 0.762 | 82% | 0.819 | S | S | * | * | trans | 36.1 | 124.3 | 143.5 | 59.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 663 | N | 38.3 | Very low | 39.1 | Very low | 156 Ų | 156 | 143.4 Ų | 143.4 | 83% | 0.834 | 81% | 0.814 | S | S | * | * | trans | -47.7 | 148.6 | 161.4 | -45.2 | -67.8 | 0 | 0 | 0 | 114.4 | ||||
| 664 | N | 48.3 | Very low | 39.3 | Very low | 172 Ų | 172 | 144.9 Ų | 144.9 | 92% | 0.92 | 82% | 0.817 | S | S | * | * | trans | -139.7 | 139.8 | 141.5 | -92.2 | -33.9 | 0 | 0 | 0 | 108.8 | ||||
| 665 | K | 38.6 | Very low | 39.4 | Very low | 192 Ų | 192 | 142.2 Ų | 142.2 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | trans | -96.8 | 141 | 170.6 | -70.4 | 176.4 | 177.3 | 176.8 | 0 | 108.6 | ||||
| 666 | D | 44.2 | Very low | 39.6 | Very low | 156 Ų | 156 | 144.3 Ų | 144.3 | 83% | 0.834 | 82% | 0.822 | S | S | * | * | trans | 164.3 | 149.7 | 146.4 | -89.5 | -31.6 | 0 | 0 | 0 | 106 | ||||
| 667 | T | 39.1 | Very low | 39.7 | Very low | 114 Ų | 114 | 146.1 Ų | 146.1 | 70% | 0.699 | 82% | 0.823 | S | S | * | * | cis | 175.3 | 164.2 | -11.6 | -93.1 | 0 | 0 | 0 | 0 | 102.6 | ||||
| 668 | S | 37.4 | Very low | 39.4 | Very low | 117 Ų | 117 | 144.2 Ų | 144.2 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | 85.4 | 121.4 | 173.4 | -59.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 669 | L | 32.6 | Very low | 39.4 | Very low | 149 Ų | 149 | 141.3 Ų | 141.3 | 78% | 0.78 | 82% | 0.817 | S | S | * | * | trans | -65.7 | 154.7 | 168.6 | -62.3 | 153.4 | 0 | 0 | 0 | 111.8 | ||||
| 670 | N | 39.3 | Very low | 39.2 | Very low | 165 Ų | 165 | 145.5 Ų | 145.5 | 88% | 0.882 | 82% | 0.82 | S | S | * | * | -160.2 | 145.2 | 127.4 | -100.6 | -26.8 | 0 | 0 | 0 | 111.9 | |||||
| 671 | Y | 35.6 | Very low | 39.6 | Very low | 206 Ų | 206 | 143.5 Ų | 143.5 | 81% | 0.808 | 82% | 0.815 | S | S | * | * | trans | -75 | 145.6 | 176.9 | -72.4 | -113 | 0 | 0 | 0 | 110.9 | ||||
| 672 | L | 40.9 | Very low | 39.8 | Very low | 179 Ų | 179 | 149.8 Ų | 149.8 | 94% | 0.937 | 82% | 0.821 | S | S | * | * | -163.8 | 176 | 119.6 | -126.1 | 74.2 | 0 | 0 | 0 | 111 | |||||
| 673 | N | 38.2 | Very low | 39.8 | Very low | 132 Ų | 132 | 150 Ų | 150 | 71% | 0.706 | 82% | 0.82 | S | S | * | * | trans | -116.2 | 175.2 | -146.2 | -142.8 | 41.6 | 0 | 0 | 0 | 114.3 | ||||
| 674 | D | 39.8 | Very low | 40 | Very low | 146 Ų | 146 | 148.5 Ų | 148.5 | 78% | 0.781 | 82% | 0.821 | S | S | * | * | trans | 80.2 | 137.3 | 155.6 | -50.6 | -39.6 | 0 | 0 | 0 | 120.5 | ||||
| 675 | G | 39.4 | Very low | 39.6 | Very low | 72 Ų | 72 | 148.8 Ų | 148.8 | 74% | 0.742 | 82% | 0.817 | S | S | * | * | trans | 142.9 | 32.7 | 154.7 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 676 | D | 39.4 | Very low | 39.6 | Very low | 165 Ų | 165 | 144.7 Ų | 144.7 | 88% | 0.882 | 82% | 0.819 | S | S | * | * | trans | 44.9 | 146.4 | 155.9 | -63.1 | -19.4 | 0 | 0 | 0 | 124.1 | ||||
| 677 | T | 40.9 | Very low | 39.4 | Very low | 132 Ų | 132 | 143.5 Ų | 143.5 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | trans | -140.3 | 167.6 | 179.8 | 59.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 678 | S | 39 | Very low | 39.4 | Very low | 118 Ų | 118 | 150 Ų | 150 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | trans | 100.1 | 129.2 | 144.3 | -58 | 0 | 0 | 0 | 0 | 120 | ||||
| 679 | S | 37.6 | Very low | 39.8 | Very low | 111 Ų | 111 | 151.5 Ų | 151.5 | 78% | 0.776 | 82% | 0.822 | S | S | * | * | trans | -161.4 | 117.4 | 144.3 | 177.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 680 | L | 37.4 | Very low | 40 | Very low | 167 Ų | 167 | 148.4 Ų | 148.4 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | -179.8 | 154.8 | 124.2 | -95.4 | 176.4 | 0 | 0 | 0 | 112.2 | |||||
| 681 | L | 45.6 | Very low | 40.1 | Very low | 164 Ų | 164 | 147.5 Ų | 147.5 | 86% | 0.859 | 81% | 0.808 | S | S | * | * | trans | 93.2 | 143.6 | 169.7 | -129.1 | 72.5 | 0 | 0 | 0 | 120.4 | ||||
| 682 | Y | 43.1 | Very low | 40 | Very low | 224 Ų | 224 | 142.8 Ų | 142.8 | 88% | 0.878 | 80% | 0.804 | S | S | * | * | trans | -81.2 | 157.9 | -163 | -82.7 | -115.4 | 0 | 0 | 0 | 115.9 | ||||
| 683 | P | 40.8 | Very low | 39.9 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 74% | 0.74 | 80% | 0.798 | S | S | * | * | trans | -121.9 | 151.3 | 161.8 | 38.3 | -26.1 | 0 | 0 | 0 | 114.7 | ||||
| 684 | S | 43 | Very low | 39.9 | Very low | 123 Ų | 123 | 140.1 Ų | 140.1 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -136.2 | 114.6 | 157.2 | -89 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 685 | Q | 40.6 | Very low | 39.8 | Very low | 178 Ų | 178 | 139.7 Ų | 139.7 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | -142.5 | 139.3 | 171 | -73.3 | -170.5 | 22.9 | 0 | 0 | 110.5 | ||||
| 686 | A | 38.1 | Very low | 39.9 | Very low | 106 Ų | 106 | 144.8 Ų | 144.8 | 88% | 0.876 | 80% | 0.798 | S | S | * | * | trans | -84.5 | 132.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 687 | I | 39.7 | Very low | 39.8 | Very low | 131 Ų | 131 | 143 Ų | 143 | 67% | 0.672 | 79% | 0.789 | S | S | * | * | trans | -114.5 | 129.2 | 178.4 | -62.8 | 174.7 | 0 | 0 | 0 | 108.7 | N689 | I687-N689 WeakPolarHBondContact CG2-OD1 3.45Š| ||
| 688 | R | 39.8 | Very low | 39.7 | Very low | 250 Ų | 250 | 143.2 Ų | 143.2 | 94% | 0.943 | 79% | 0.785 | S | S | * | * | trans | -115.8 | 112.9 | 159.7 | -75.1 | -167.9 | -67.6 | -162 | -2.7 | 107.9 | ||||
| 689 | N | 46.1 | Very low | 39.8 | Very low | 149 Ų | 149 | 142.2 Ų | 142.2 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | trans | -88.7 | 139.7 | 171.3 | -68.1 | -19.6 | 0 | 0 | 0 | 109.5 | I687 | I687-N689 WeakPolarHBondContact CG2-OD1 3.45Š| ||
| 690 | S | 36.8 | Very low | 39.9 | Very low | 85 Ų | 85 | 145.1 Ų | 145.1 | 59% | 0.594 | 79% | 0.785 | S | S | * | * | trans | -107.5 | 168.1 | 161.4 | 66.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 691 | D | 40.7 | Very low | 40 | Very low | 145 Ų | 145 | 141.7 Ų | 141.7 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | trans | 100.1 | 140.5 | 173.2 | -50.2 | -5.3 | 0 | 0 | 0 | 112.7 | ||||
| 692 | C | 33.4 | Very low | 40 | Very low | 108 Ų | 108 | 139.4 Ų | 139.4 | 73% | 0.73 | 78% | 0.778 | S | S | * | * | cis | -173.1 | 125.4 | -19 | 163 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 693 | T | 38.6 | Very low | 40.2 | Very low | 132 Ų | 132 | 135.2 Ų | 135.2 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | trans | 179.6 | 112.1 | 144.3 | 27 | 0 | 0 | 0 | 0 | 113 | ||||
| 694 | T | 38 | Very low | 40.4 | Very low | 122 Ų | 122 | 135 Ų | 135 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | 42.2 | 140.9 | 128.6 | -27.3 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 695 | I | 38.8 | Very low | 41.3 | Very low | 138 Ų | 138 | 134.3 Ų | 134.3 | 71% | 0.708 | 77% | 0.771 | S | S | * | * | trans | 109.8 | 99.3 | 152.5 | -56.4 | -176.3 | 0 | 0 | 0 | 116.5 | ||||
| 696 | K | 40.6 | Very low | 42.2 | Very low | 178 Ų | 178 | 131 Ų | 131 | 77% | 0.774 | 77% | 0.765 | S | S | * | * | trans | 50.4 | 134.1 | 130.6 | -60.9 | -179.7 | -170.9 | 176.3 | 0 | 118.7 | ||||
| 697 | N | 37.9 | Very low | 43.2 | Very low | 128 Ų | 128 | 134 Ų | 134 | 68% | 0.684 | 76% | 0.76 | S | S | * | * | cis | -163.5 | 161.9 | 23.5 | -100.8 | -16 | 0 | 0 | 0 | 113 | ||||
| 698 | N | 38.3 | Very low | 44.3 | Very low | 136 Ų | 136 | 133 Ų | 133 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | trans | 69.9 | 109.1 | 146 | -66.4 | 5.1 | 0 | 0 | 0 | 123.8 | ||||
| 699 | S | 40.5 | Very low | 45.9 | Very low | 97 Ų | 97 | 130.4 Ų | 130.4 | 68% | 0.678 | 75% | 0.747 | S | S | * | * | trans | 59.7 | 101 | 130.3 | 64.2 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 700 | N | 40 | Very low | 47.3 | Very low | 172 Ų | 172 | 125.9 Ų | 125.9 | 92% | 0.92 | 73% | 0.727 | S | S | * | * | -163.8 | 153.8 | 93 | -90.8 | -24.5 | 0 | 0 | 0 | 111.4 | |||||
| 701 | A | 40.9 | Very low | 48.9 | Very low | 96 Ų | 96 | 125.3 Ų | 125.3 | 79% | 0.793 | 73% | 0.728 | S | S | * | * | trans | -104.5 | 142.6 | -155 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 702 | S | 43.9 | Very low | 50.3 | Low | 115 Ų | 115 | 124.2 Ų | 124.2 | 80% | 0.804 | 72% | 0.721 | S | S | * | * | trans | -160.3 | 139.8 | 145.7 | -81.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 703 | P | 47.4 | Very low | 52.1 | Low | 137 Ų | 137 | 122.4 Ų | 122.4 | 89% | 0.89 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -83 | 122.2 | -164.9 | 31.2 | -34.3 | 0 | 0 | 0 | 113 | ||
| 704 | S | 46.1 | Very low | 53.4 | Low | 109 Ų | 109 | 122 Ų | 122 | 76% | 0.762 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 133.6 | 170.7 | -174.4 | 0 | 0 | 0 | 0 | 110.7 | ||
| 705 | T | 61.3 | Low | 54.8 | Low | 108 Ų | 108 | 120.5 Ų | 120.5 | 66% | 0.663 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 146.4 | -178.9 | 44.8 | 0 | 0 | 0 | 0 | 112.9 | Q707 | T705-Q707 PolarHBondContact O-N 3.08Š|
| 706 | P | 59.8 | Low | 56.1 | Low | 109 Ų | 109 | 120.4 Ų | 120.4 | 71% | 0.708 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 122.8 | -176.9 | 26 | -34.5 | 0 | 0 | 0 | 112.5 | ||
| 707 | Q | 59.3 | Low | 57.3 | Low | 168 Ų | 168 | 117.5 Ų | 117.5 | 79% | 0.785 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 116.8 | 173 | -67.4 | -172.7 | -7.7 | 0 | 0 | 110.8 | T705 | T705-Q707 PolarHBondContact O-N 3.08Š|
| 708 | F | 62.3 | Low | 57.9 | Low | 110 Ų | 110 | 114.2 Ų | 114.2 | 48% | 0.482 | 67% | 0.674 | S | S | . | * | P | Polyproline II helix | trans | -76.8 | 128.8 | 171.7 | -69.4 | -85.4 | 0 | 0 | 0 | 110.7 | S710 L713 | F708-S710 VanDerWaalsContact C-N 3.28Å; F708-S710 PolarHBondContact O-N 2.92Å; F708-L713 HydrophobicContact CB-CB 4.21Å; F708-L713 HydrophobicContact CD1-CD2 4.5Å |
| 709 | K | 73.2 | Confident | 58.5 | Low | 197 Ų | 197 | 114.3 Ų | 114.3 | 86% | 0.857 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -73.7 | -7.9 | -173.8 | -67.3 | -172.6 | 177.5 | -174.8 | 0 | 115.2 | ||
| 710 | S | 75.4 | Confident | 58.7 | Low | 53 Ų | 53 | 113.1 Ų | 113.1 | 37% | 0.371 | 68% | 0.683 | S | S | . | * | trans | -105 | 124 | 178.4 | 57.2 | 0 | 0 | 0 | 0 | 111.8 | F708 L712 L713 Q714 | F708-S710 VanDerWaalsContact C-N 3.28Å; F708-S710 PolarHBondContact O-N 2.92Å; S710-L712 PolarHBondContact O-N 2.82Å; S710-L712 VanDerWaalsContact O-N 3.07Å; S710-L713 PolarHBondContact O-N 2.81Å; S710-L713 VanDerWaalsContact OG-CD1 3.26Å; S710-L713 WeakPolarHBondContact OG-CD1 3.43Å; S710-Q714 PolarHBondContact O-N 3.24Å | ||
| 711 | A | 70.1 | Confident | 59 | Low | 74 Ų | 74 | 116.7 Ų | 116.7 | 61% | 0.612 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -56.2 | -27.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | S715 | A711-S715 PolarHBondContact O-N 2.92Å; A711-S715 PolarHBondContact O-OG 3.47Å |
| 712 | L | 71.7 | Confident | 59 | Low | 121 Ų | 121 | 120.3 Ų | 120.3 | 63% | 0.634 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -67.7 | -45.7 | 174.9 | -172.8 | 67 | 0 | 0 | 0 | 112.4 | S710 Q714 S715 M716 | S710-L712 PolarHBondContact O-N 2.82Å; S710-L712 VanDerWaalsContact O-N 3.07Å; L712-Q714 VanDerWaalsContact C-N 3.32Å; L712-S715 PolarHBondContact O-N 3.16Å; L712-S715 PolarHBondContact O-OG 2.71Å; L712-S715 VanDerWaalsContact O-OG 3.12Å; L712-M716 HydrophobicContact CD1-CG 4.47Å; L712-M716 HydrophobicContact CD1-SD 4.19Å; L712-M716 HydrophobicContact CG-SD 4.05Å; L712-M716 WeakPolarHBondContact O-CB 3.4Å; L712-M716 VanDerWaalsContact O-CG 3.3Å; L712-M716 WeakPolarHBondContact O-CG 3.27Å; L712-M716 PolarHBondContact O-N 3.49Å |
| 713 | L | 69.9 | Low | 58.9 | Low | 70 Ų | 70 | 119.1 Ų | 119.1 | 37% | 0.366 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -68.8 | -35 | 174.3 | -94.3 | 130.4 | 0 | 0 | 0 | 111.5 | F708 S710 S715 M716 L717 | F708-L713 HydrophobicContact CB-CB 4.21Å; F708-L713 HydrophobicContact CD1-CD2 4.5Å; S710-L713 PolarHBondContact O-N 2.81Å; S710-L713 VanDerWaalsContact OG-CD1 3.26Å; S710-L713 WeakPolarHBondContact OG-CD1 3.43Å; L713-S715 PolarHBondContact O-N 2.67Å; L713-M716 PolarHBondContact O-N 2.9Å; L713-L717 HydrophobicContact CD2-CD1 4.2Å; L713-L717 HydrophobicContact CD2-CD2 4.21Å; L713-L717 PolarHBondContact O-N 2.94Å |
| 714 | Q | 66.4 | Low | 58.7 | Low | 123 Ų | 123 | 118 Ų | 118 | 58% | 0.575 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -65.5 | -25.6 | 176.9 | -149.6 | 164.7 | 31.3 | 0 | 0 | 113 | S710 L712 | S710-Q714 PolarHBondContact O-N 3.24Å; L712-Q714 VanDerWaalsContact C-N 3.32Å |
| 715 | S | 67.3 | Low | 58.5 | Low | 91 Ų | 91 | 121.9 Ų | 121.9 | 64% | 0.636 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -95.4 | -25 | 173.2 | 45.4 | 0 | 0 | 0 | 0 | 113.9 | A711 L712 L713 | A711-S715 PolarHBondContact O-N 2.92Å; A711-S715 PolarHBondContact O-OG 3.47Å; L712-S715 PolarHBondContact O-N 3.16Å; L712-S715 PolarHBondContact O-OG 2.71Å; L712-S715 VanDerWaalsContact O-OG 3.12Å; L713-S715 PolarHBondContact O-N 2.67Å |
| 716 | M | 65.7 | Low | 57.6 | Low | 137 Ų | 137 | 121.2 Ų | 121.2 | 68% | 0.675 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -84.8 | -34.6 | 178 | -76.1 | -174.6 | 59.8 | 0 | 0 | 115.1 | L712 L713 | L712-M716 HydrophobicContact CD1-CG 4.47Å; L712-M716 HydrophobicContact CD1-SD 4.19Å; L712-M716 HydrophobicContact CG-SD 4.05Å; L712-M716 WeakPolarHBondContact O-CB 3.4Å; L712-M716 VanDerWaalsContact O-CG 3.3Å; L712-M716 WeakPolarHBondContact O-CG 3.27Å; L712-M716 PolarHBondContact O-N 3.49Å; L713-M716 PolarHBondContact O-N 2.9Å |
| 717 | L | 65.8 | Low | 56.9 | Low | 117 Ų | 117 | 124.8 Ų | 124.8 | 61% | 0.613 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -105.6 | 0.7 | -167.9 | -101.7 | 75.1 | 0 | 0 | 0 | 116.4 | L713 | L713-L717 HydrophobicContact CD2-CD1 4.2Å; L713-L717 HydrophobicContact CD2-CD2 4.21Å; L713-L717 PolarHBondContact O-N 2.94Å |
| 718 | G | 50.8 | Low | 56.1 | Low | 59 Ų | 59 | 125.2 Ų | 125.2 | 61% | 0.608 | 70% | 0.695 | S | S | * | * | trans | 58.5 | 113.8 | 157 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 719 | T | 51.7 | Low | 55.2 | Low | 137 Ų | 137 | 123.3 Ų | 123.3 | 84% | 0.84 | 70% | 0.699 | S | S | * | * | trans | -123.4 | 110.9 | 149.3 | 52.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 720 | G | 44 | Very low | 53.7 | Low | 73 Ų | 73 | 120.8 Ų | 120.8 | 75% | 0.753 | 70% | 0.7 | S | S | * | * | trans | -78.5 | 148.9 | -164 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 721 | R | 45.3 | Very low | 52.2 | Low | 247 Ų | 247 | 124.9 Ų | 124.9 | 93% | 0.932 | 73% | 0.727 | S | S | * | * | trans | -128.8 | 95.2 | 140 | -78.6 | -163.5 | 167.4 | -168.6 | -3.4 | 109.7 | ||||
| 722 | L | 41.5 | Very low | 50.7 | Low | 172 Ų | 172 | 124.8 Ų | 124.8 | 90% | 0.901 | 73% | 0.733 | S | S | * | * | trans | -63.3 | 144 | 152.9 | -68.6 | 162.5 | 0 | 0 | 0 | 108 | ||||
| 723 | S | 42.7 | Very low | 49.2 | Very low | 89 Ų | 89 | 127.1 Ų | 127.1 | 62% | 0.622 | 75% | 0.745 | S | S | * | * | trans | 66.7 | 124.8 | -179.4 | -158.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 724 | T | 43.3 | Very low | 47.9 | Very low | 113 Ų | 113 | 129.8 Ų | 129.8 | 69% | 0.693 | 77% | 0.77 | S | S | * | * | S | Bend | cis | -144.6 | 123.5 | 36.7 | 45.4 | 0 | 0 | 0 | 0 | 111.6 | ||
| 725 | H | 40.6 | Very low | 46.7 | Very low | 191 Ų | 191 | 127.5 Ų | 127.5 | 88% | 0.884 | 78% | 0.779 | S | S | * | * | S | Bend | trans | 175.7 | -10.3 | 148.3 | -105.3 | -65.5 | 0 | 0 | 0 | 113.7 | K727 | H725-K727 PolarHBondContact O-N 3.32Š|
| 726 | A | 43.8 | Very low | 45.5 | Very low | 95 Ų | 95 | 131.3 Ų | 131.3 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -94.1 | 47 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 727 | K | 43.5 | Very low | 44.3 | Very low | 183 Ų | 183 | 133.6 Ų | 133.6 | 80% | 0.796 | 80% | 0.798 | S | S | * | * | trans | -113.2 | 1.4 | -179.2 | -102.4 | -175.6 | 175.7 | -177.1 | 0 | 116.1 | H725 | H725-K727 PolarHBondContact O-N 3.32Š| ||
| 728 | D | 42.6 | Very low | 43.4 | Very low | 178 Ų | 178 | 137.8 Ų | 137.8 | 95% | 0.952 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -99.2 | 12.6 | 168.6 | -78.3 | -34 | 0 | 0 | 0 | 113.5 | ||
| 729 | A | 44.1 | Very low | 42.9 | Very low | 69 Ų | 69 | 141 Ų | 141 | 57% | 0.57 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -134.1 | 142.5 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 730 | V | 42.4 | Very low | 42.6 | Very low | 144 Ų | 144 | 137.7 Ų | 137.7 | 87% | 0.873 | 82% | 0.817 | S | S | * | * | S | Bend | trans | 74.4 | 52.2 | -176.4 | -157.3 | 0 | 0 | 0 | 0 | 114.8 | ||
| 731 | C | 44.2 | Very low | 42.4 | Very low | 139 Ų | 139 | 142.1 Ų | 142.1 | 94% | 0.939 | 82% | 0.824 | S | S | * | * | trans | -131.6 | 83.8 | 150.2 | -106 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 732 | G | 37.8 | Very low | 42.5 | Very low | 72 Ų | 72 | 135.1 Ų | 135.1 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | trans | 174.5 | 34.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 733 | L | 39.4 | Very low | 42.6 | Very low | 171 Ų | 171 | 132.7 Ų | 132.7 | 90% | 0.895 | 80% | 0.802 | S | S | * | * | trans | -153.1 | 53.4 | -175.5 | -111.1 | 144.5 | 0 | 0 | 0 | 113.3 | ||||
| 734 | S | 42.9 | Very low | 42.5 | Very low | 126 Ų | 126 | 139 Ų | 139 | 88% | 0.881 | 81% | 0.814 | S | S | * | * | trans | -155.8 | 89.7 | 162.3 | 58.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 735 | G | 40.5 | Very low | 42.4 | Very low | 75 Ų | 75 | 140.3 Ų | 140.3 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | trans | -166.9 | 54 | -167.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 736 | M | 43.3 | Very low | 42.7 | Very low | 170 Ų | 170 | 141.8 Ų | 141.8 | 84% | 0.837 | 81% | 0.814 | S | S | * | * | trans | 32.1 | 94.9 | 158 | -62 | -171.1 | 71.8 | 0 | 0 | 118.9 | K738 | M736-K738 PolarHBondContact O-N 2.88Š| ||
| 737 | Q | 40.8 | Very low | 43.3 | Very low | 186 Ų | 186 | 143.5 Ų | 143.5 | 87% | 0.869 | 82% | 0.817 | S | S | * | * | 32.3 | 86.2 | 112.6 | -166.7 | -179.6 | 12.1 | 0 | 0 | 116.6 | |||||
| 738 | K | 45.2 | Very low | 43.2 | Very low | 204 Ų | 204 | 144 Ų | 144 | 89% | 0.887 | 82% | 0.823 | S | S | * | * | trans | -143.2 | 122.6 | 149.2 | -107.4 | 171.9 | -173.4 | 176.6 | 0 | 110.3 | M736 | M736-K738 PolarHBondContact O-N 2.88Š| ||
| 739 | S | 41.2 | Very low | 43.1 | Very low | 127 Ų | 127 | 138.4 Ų | 138.4 | 89% | 0.888 | 81% | 0.807 | S | S | * | * | trans | -68.9 | 133.6 | 175.3 | 49.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 740 | G | 45.2 | Very low | 43.2 | Very low | 67 Ų | 67 | 140.4 Ų | 140.4 | 69% | 0.691 | 82% | 0.817 | S | S | * | * | trans | 160.8 | 114.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | P742 | G740-P742 VanDerWaalsContact O-CD 3.31Å; G740-P742 WeakPolarHBondContact O-CD 3.49Å | ||
| 741 | N | 39.9 | Very low | 43.2 | Very low | 166 Ų | 166 | 141.1 Ų | 141.1 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | trans | -64.6 | 126.6 | 171.5 | -67 | -28.4 | 0 | 0 | 0 | 109.9 | ||||
| 742 | P | 48.4 | Very low | 42.9 | Very low | 101 Ų | 101 | 144 Ų | 144 | 66% | 0.656 | 82% | 0.815 | S | S | * | * | trans | -97.3 | 103 | 156.8 | 29.8 | -16.1 | 0 | 0 | 0 | 108.5 | G740 Y744 | G740-P742 VanDerWaalsContact O-CD 3.31Å; G740-P742 WeakPolarHBondContact O-CD 3.49Å; P742-Y744 PolarHBondContact O-N 2.82Å; P742-Y744 VanDerWaalsContact O-N 3.13Å | ||
| 743 | V | 42.8 | Very low | 43.2 | Very low | 120 Ų | 120 | 148.3 Ų | 148.3 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | trans | -60 | 111.1 | 156.5 | 172 | 0 | 0 | 0 | 0 | 106.3 | L745 | V743-L745 HydrophobicContact CG1-CB 4.49Å; V743-L745 PolarHBondContact O-N 2.99Å | ||
| 744 | Y | 39.7 | Very low | 43.5 | Very low | 221 Ų | 221 | 145.1 Ų | 145.1 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | trans | -76.6 | 82.8 | 166.3 | -101.5 | -79.8 | 0 | 0 | 0 | 108.9 | P742 | P742-Y744 PolarHBondContact O-N 2.82Å; P742-Y744 VanDerWaalsContact O-N 3.13Å | ||
| 745 | L | 41.5 | Very low | 43.5 | Very low | 142 Ų | 142 | 145.4 Ų | 145.4 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | trans | -55.3 | 141.7 | 168.2 | -165.1 | 66.7 | 0 | 0 | 0 | 109 | V743 | V743-L745 HydrophobicContact CG1-CB 4.49Å; V743-L745 PolarHBondContact O-N 2.99Å | ||
| 746 | W | 46.7 | Very low | 44 | Very low | 221 Ų | 221 | 150.9 Ų | 150.9 | 84% | 0.837 | 81% | 0.808 | S | S | * | * | trans | -56.8 | 147 | 165.7 | -75 | 67.5 | 0 | 0 | 0 | 109.5 | E748 | W746-E748 PolarHBondContact O-N 2.77Š| ||
| 747 | P | 56.5 | Low | 44.1 | Very low | 131 Ų | 131 | 147.9 Ų | 147.9 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | trans | -72.2 | 75.8 | 159.8 | 30.2 | -29.7 | 0 | 0 | 0 | 109.2 | G749 | P747-G749 PolarHBondContact O-N 2.88Š| ||
| 748 | E | 41.3 | Very low | 44.2 | Very low | 194 Ų | 194 | 146.2 Ų | 146.2 | 91% | 0.907 | 80% | 0.798 | S | S | * | * | trans | -74.3 | 108.3 | 148.1 | -88.2 | -168.3 | 144.5 | 0 | 0 | 107.4 | W746 | W746-E748 PolarHBondContact O-N 2.77Š| ||
| 749 | G | 41.8 | Very low | 44.2 | Very low | 60 Ų | 60 | 142.3 Ų | 142.3 | 62% | 0.619 | 80% | 0.796 | S | S | * | * | trans | -170.4 | 65.3 | 180 | 0 | 0 | 0 | 0 | 0 | 107.5 | P747 | P747-G749 PolarHBondContact O-N 2.88Š| ||
| 750 | S | 46.4 | Very low | 44.6 | Very low | 112 Ų | 112 | 141.2 Ų | 141.2 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | 67.9 | 78.4 | 87.1 | 78.6 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 751 | D | 41.4 | Very low | 44.7 | Very low | 159 Ų | 159 | 142.3 Ų | 142.3 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | trans | -140.4 | 55.4 | 150.3 | -91.8 | -34.8 | 0 | 0 | 0 | 108.9 | E753 | D751-E753 VanDerWaalsContact C-N 3.33Š| ||
| 752 | H | 39.2 | Very low | 45 | Very low | 198 Ų | 198 | 140.1 Ų | 140.1 | 92% | 0.917 | 78% | 0.783 | S | S | * | * | trans | -99.1 | 54.9 | 161.2 | -98.5 | -45.1 | 0 | 0 | 0 | 110 | V754 | H752-V754 PolarHBondContact O-N 3.1Š| ||
| 753 | E | 43.6 | Very low | 45.6 | Very low | 164 Ų | 164 | 141.2 Ų | 141.2 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | trans | -84.5 | 95.6 | 167.8 | -97.3 | -80.4 | 123.5 | 0 | 0 | 110.2 | D751 | D751-E753 VanDerWaalsContact C-N 3.33Š| ||
| 754 | V | 44.4 | Very low | 46 | Very low | 104 Ų | 104 | 140.7 Ų | 140.7 | 63% | 0.63 | 79% | 0.787 | S | S | * | * | trans | 40.6 | 106.4 | 139.4 | -171.1 | 0 | 0 | 0 | 0 | 117.9 | H752 | H752-V754 PolarHBondContact O-N 3.1Š| ||
| 755 | S | 44.8 | Very low | 46.7 | Very low | 131 Ų | 131 | 139 Ų | 139 | 92% | 0.916 | 79% | 0.787 | S | S | * | * | trans | -142.4 | 74.1 | 144.7 | -74.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 756 | K | 49.9 | Very low | 47 | Very low | 191 Ų | 191 | 143.9 Ų | 143.9 | 83% | 0.83 | 81% | 0.814 | S | S | * | * | trans | -103.7 | 160.8 | 143 | -76.8 | -175.2 | 179 | -179 | 0 | 106.6 | ||||
| 757 | P | 46 | Very low | 47 | Very low | 106 Ų | 106 | 140.1 Ų | 140.1 | 69% | 0.688 | 81% | 0.813 | S | S | * | * | cis | -123.5 | 167.2 | 9.8 | 40.7 | -27.4 | 0 | 0 | 0 | 114 | ||||
| 758 | D | 43.4 | Very low | 46.5 | Very low | 151 Ų | 151 | 140.5 Ų | 140.5 | 81% | 0.807 | 81% | 0.811 | S | S | * | * | -163.3 | 109.8 | 121.6 | -97.6 | -22.4 | 0 | 0 | 0 | 109.8 | |||||
| 759 | S | 45 | Very low | 46.8 | Very low | 123 Ų | 123 | 137.6 Ų | 137.6 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -151.9 | 67.7 | 171.3 | -63.7 | 0 | 0 | 0 | 0 | 106.4 | S761 | S759-S761 PolarHBondContact O-N 2.92Š| ||
| 760 | S | 49.7 | Very low | 47.1 | Very low | 104 Ų | 104 | 142.1 Ų | 142.1 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | trans | -68.2 | 115.2 | 176.8 | 49.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 761 | S | 47.1 | Very low | 47.1 | Very low | 90 Ų | 90 | 144 Ų | 144 | 63% | 0.629 | 82% | 0.818 | S | S | * | * | trans | 22.4 | 116.6 | 156.6 | 60.7 | 0 | 0 | 0 | 0 | 118.6 | S759 V763 | S759-S761 PolarHBondContact O-N 2.92Å; S761-V763 PolarHBondContact O-N 2.81Å | ||
| 762 | S | 46.4 | Very low | 47.5 | Very low | 119 Ų | 119 | 143 Ų | 143 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | trans | -55.5 | 120.3 | 140.2 | 54.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 763 | V | 59.4 | Low | 48.1 | Very low | 124 Ų | 124 | 139.1 Ų | 139.1 | 75% | 0.752 | 81% | 0.809 | S | S | * | * | trans | -131.1 | 111.7 | 156.7 | 179.1 | 0 | 0 | 0 | 0 | 106.9 | S761 | S761-V763 PolarHBondContact O-N 2.81Š| ||
| 764 | P | 51.8 | Low | 48.4 | Very low | 109 Ų | 109 | 137.2 Ų | 137.2 | 71% | 0.708 | 81% | 0.812 | S | S | * | * | trans | -101.3 | 120.5 | 168.5 | 33.5 | -25 | 0 | 0 | 0 | 110.3 | ||||
| 765 | Q | 55.2 | Low | 48.7 | Very low | 186 Ų | 186 | 139.9 Ų | 139.9 | 87% | 0.869 | 83% | 0.827 | S | S | * | * | trans | -174 | 123.1 | 151.2 | -108.9 | 164 | 12.7 | 0 | 0 | 111.7 | ||||
| 766 | N | 46.3 | Very low | 49.1 | Very low | 245 Ų | 245 | 140.7 Ų | 140.7 | 100% | 1.31 | 82% | 0.819 | S | S | * | * | trans | 56.6 | 0 | 172.4 | -71.3 | -15.4 | 0 | 0 | 0 | 118.8 |
Retrieved 766 of 766 residues in 141.6 ms
(Link to these results)