| 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 | 39.5 | Very low | 36.4 | Very low | 240 Ų | 240 | 122.3 Ų | 122.3 | 100% | 1.182 | 80% | 0.798 | S | S | * | * | 0 | 110.9 | 0 | -77.9 | 175.4 | 167.2 | 0 | 0 | 107 | |||||
| 2 | T | 46 | Very low | 36.2 | Very low | 143 Ų | 143 | 124.6 Ų | 124.6 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | trans | -160.5 | 116.2 | -174.1 | 19.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 3 | S | 33.3 | Very low | 36.2 | Very low | 116 Ų | 116 | 125.8 Ų | 125.8 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | trans | -147.6 | 142.4 | 168.9 | -80.1 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 4 | A | 36.1 | Very low | 35.8 | Very low | 92 Ų | 92 | 127.6 Ų | 127.6 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | 68.3 | 143.5 | 50.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 5 | V | 33.9 | Very low | 35.8 | Very low | 128 Ų | 128 | 127.5 Ų | 127.5 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | cis | -155.5 | 148.7 | 22 | 82.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 6 | V | 33.4 | Very low | 35.8 | Very low | 126 Ų | 126 | 126 Ų | 126 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | trans | 44 | 138.9 | 139.3 | 174.8 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 7 | D | 37.3 | Very low | 36 | Very low | 132 Ų | 132 | 123.8 Ų | 123.8 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | -13.2 | 148.8 | 150.2 | -173.3 | 62.2 | 0 | 0 | 0 | 120.8 | ||||
| 8 | S | 40.3 | Very low | 36.1 | Very low | 117 Ų | 117 | 125.7 Ų | 125.7 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -165.4 | 135.3 | 144.4 | -71.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 9 | G | 32.9 | Very low | 36.1 | Very low | 66 Ų | 66 | 122.6 Ų | 122.6 | 68% | 0.68 | 77% | 0.765 | S | S | * | * | cis | 107.5 | 118.3 | 2.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 10 | G | 33.9 | Very low | 36.2 | Very low | 64 Ų | 64 | 122.6 Ų | 122.6 | 66% | 0.66 | 76% | 0.763 | S | S | * | * | trans | 113 | 114.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 11 | T | 33.5 | Very low | 36.1 | Very low | 121 Ų | 121 | 124.7 Ų | 124.7 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | 82.6 | 105.5 | 51.5 | 68.1 | 0 | 0 | 0 | 0 | 114 | |||||
| 12 | I | 34.8 | Very low | 35.7 | Very low | 150 Ų | 150 | 119.9 Ų | 119.9 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | 93.3 | 166.9 | 106.7 | -73.7 | 170.4 | 0 | 0 | 0 | 112.4 | |||||
| 13 | L | 35 | Very low | 35.2 | Very low | 140 Ų | 140 | 120.5 Ų | 120.5 | 73% | 0.733 | 74% | 0.736 | S | S | * | * | trans | 91.4 | 109.3 | -174.1 | -52.3 | -179.2 | 0 | 0 | 0 | 112.4 | ||||
| 14 | E | 31.8 | Very low | 35.4 | Very low | 152 Ų | 152 | 122.4 Ų | 122.4 | 71% | 0.71 | 73% | 0.732 | S | S | * | * | 80.4 | 143.6 | 70.4 | -79.8 | -160.9 | 123.2 | 0 | 0 | 112.1 | |||||
| 15 | L | 35.7 | Very low | 35.4 | Very low | 125 Ų | 125 | 126.4 Ų | 126.4 | 65% | 0.654 | 74% | 0.736 | S | S | * | * | cis | -160.5 | 154.9 | 15.4 | -125.5 | 157.7 | 0 | 0 | 0 | 110.8 | ||||
| 16 | S | 34.6 | Very low | 35.4 | Very low | 104 Ų | 104 | 125.3 Ų | 125.3 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | trans | 66.6 | 165.6 | 146.2 | -86.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 17 | S | 40.6 | Very low | 35.5 | Very low | 89 Ų | 89 | 126.6 Ų | 126.6 | 62% | 0.622 | 73% | 0.731 | S | S | * | * | cis | 171.9 | 146.3 | -18.5 | 170.4 | 0 | 0 | 0 | 0 | 107 | ||||
| 18 | N | 37.7 | Very low | 35.2 | Very low | 157 Ų | 157 | 130.2 Ų | 130.2 | 84% | 0.84 | 74% | 0.741 | S | S | * | * | cis | -157.9 | 160.3 | -5.4 | -114.8 | -1.5 | 0 | 0 | 0 | 110.4 | ||||
| 19 | G | 35 | Very low | 35 | Very low | 68 Ų | 68 | 129.5 Ų | 129.5 | 70% | 0.701 | 73% | 0.731 | S | S | * | * | trans | 92.4 | 157.3 | 144.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 20 | V | 38.7 | Very low | 34.9 | Very low | 121 Ų | 121 | 131.4 Ų | 131.4 | 73% | 0.733 | 73% | 0.734 | S | S | * | * | cis | -149.7 | 122.4 | 3.2 | -176.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 21 | E | 33.8 | Very low | 35.3 | Very low | 167 Ų | 167 | 136 Ų | 136 | 78% | 0.78 | 74% | 0.738 | S | S | * | * | trans | 52.2 | 147.7 | 147.9 | -59.4 | 170.8 | -146.5 | 0 | 0 | 120.9 | ||||
| 22 | N | 31.9 | Very low | 35.7 | Very low | 140 Ų | 140 | 141.5 Ų | 141.5 | 75% | 0.749 | 75% | 0.747 | S | S | * | * | cis | -160.9 | -178.1 | -5 | -125.1 | -38.1 | 0 | 0 | 0 | 111.6 | ||||
| 23 | Q | 34.8 | Very low | 36.2 | Very low | 156 Ų | 156 | 139.3 Ų | 139.3 | 73% | 0.729 | 74% | 0.742 | S | S | * | * | trans | 89.6 | 79.6 | 159.6 | -159.4 | 125.4 | 80.1 | 0 | 0 | 119.2 | ||||
| 24 | E | 37.3 | Very low | 36.5 | Very low | 155 Ų | 155 | 137.1 Ų | 137.1 | 72% | 0.724 | 74% | 0.744 | S | S | * | * | 46 | 112.7 | 129.7 | -63.5 | 155.2 | 120.7 | 0 | 0 | 119.6 | |||||
| 25 | E | 37 | Very low | 36.9 | Very low | 177 Ų | 177 | 136.2 Ų | 136.2 | 83% | 0.827 | 75% | 0.749 | S | S | * | * | 80.1 | 146.3 | 80.5 | -97 | -153.6 | 78.2 | 0 | 0 | 115.3 | |||||
| 26 | S | 32.8 | Very low | 37.2 | Very low | 104 Ų | 104 | 137.5 Ų | 137.5 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | cis | -141 | -179.6 | 10 | -159.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 27 | E | 35.4 | Very low | 37.6 | Very low | 154 Ų | 154 | 138.6 Ų | 138.6 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | trans | -107.1 | 152 | -159.3 | -170.7 | -165.3 | 123.7 | 0 | 0 | 114.5 | V29 | E27-V29 HydrophobicContact CG-CG2 3.93Å; E27-V29 VanDerWaalsContact OE1-CG2 3.22Å; E27-V29 WeakPolarHBondContact OE1-CG2 3.43Å | ||
| 28 | K | 31.3 | Very low | 38 | Very low | 208 Ų | 208 | 141.9 Ų | 141.9 | 90% | 0.904 | 76% | 0.763 | S | S | * | * | trans | -149 | 147.4 | 135.9 | -150.3 | 161.9 | -174.3 | 176 | 0 | 113.8 | ||||
| 29 | V | 36.6 | Very low | 38.7 | Very low | 102 Ų | 102 | 140.3 Ų | 140.3 | 62% | 0.618 | 76% | 0.761 | S | S | * | * | trans | -129.2 | 161.1 | -162.7 | 150.7 | 0 | 0 | 0 | 0 | 112.3 | E27 | E27-V29 HydrophobicContact CG-CG2 3.93Å; E27-V29 VanDerWaalsContact OE1-CG2 3.22Å; E27-V29 WeakPolarHBondContact OE1-CG2 3.43Å | ||
| 30 | S | 30.9 | Very low | 38.9 | Very low | 106 Ų | 106 | 142.3 Ų | 142.3 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | trans | 73.8 | 151.1 | 171.8 | -144.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 31 | E | 42.4 | Very low | 39.2 | Very low | 160 Ų | 160 | 142 Ų | 142 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | cis | -168.3 | 153.2 | 44.5 | -172.2 | 168.5 | 169.2 | 0 | 0 | 112.1 | ||||
| 32 | Y | 41.4 | Very low | 39.6 | Very low | 237 Ų | 237 | 140.2 Ų | 140.2 | 93% | 0.929 | 77% | 0.766 | S | S | * | * | trans | -135.6 | 107.2 | 174 | -104 | -75.5 | 0 | 0 | 0 | 110.8 | ||||
| 33 | P | 45.9 | Very low | 39.8 | Very low | 103 Ų | 103 | 138.3 Ų | 138.3 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | trans | -93.3 | 145.9 | 165.5 | 33.5 | -29.6 | 0 | 0 | 0 | 111.5 | ||||
| 34 | A | 41.1 | Very low | 40.3 | Very low | 94 Ų | 94 | 140.9 Ų | 140.9 | 78% | 0.777 | 77% | 0.772 | S | S | * | * | trans | -80 | 136.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I36 | A34-I36 PolarHBondContact O-N 3.5Š| ||
| 35 | V | 39.4 | Very low | 40.4 | Very low | 134 Ų | 134 | 141.5 Ų | 141.5 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | trans | -79.7 | 102.6 | 175.5 | -178.7 | 0 | 0 | 0 | 0 | 109.8 | V37 | V35-V37 HydrophobicContact CG1-CG2 4.39Š| ||
| 36 | I | 43.6 | Very low | 40.6 | Very low | 152 Ų | 152 | 138.8 Ų | 138.8 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | trans | -75.4 | 124.1 | 166.5 | -61.1 | 168.8 | 0 | 0 | 0 | 107.6 | A34 | A34-I36 PolarHBondContact O-N 3.5Š| ||
| 37 | V | 42.1 | Very low | 40.8 | Very low | 127 Ų | 127 | 142 Ų | 142 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | trans | -95.8 | 101.3 | 174 | -177.5 | 0 | 0 | 0 | 0 | 108.5 | V35 P39 | V35-V37 HydrophobicContact CG1-CG2 4.39Å; V37-P39 WeakPolarHBondContact O-CD 3.33Å | ||
| 38 | E | 49.3 | Very low | 40.7 | Very low | 158 Ų | 158 | 137.8 Ų | 137.8 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | trans | -83.4 | 121.6 | 177.8 | -165.8 | -174.9 | 147.9 | 0 | 0 | 111 | V40 | E38-V40 HydrophobicContact CG-CG2 4.07Å; E38-V40 WeakPolarHBondContact OE1-CG2 3.33Å | ||
| 39 | P | 52.9 | Low | 40.9 | Very low | 124 Ų | 124 | 139.4 Ų | 139.4 | 81% | 0.805 | 77% | 0.77 | S | S | * | * | trans | -98.7 | 99.4 | -179.8 | 34.9 | -28.5 | 0 | 0 | 0 | 111.6 | V37 | V37-P39 WeakPolarHBondContact O-CD 3.33Š| ||
| 40 | V | 39.1 | Very low | 40.8 | Very low | 109 Ų | 109 | 138.9 Ų | 138.9 | 66% | 0.661 | 78% | 0.776 | S | S | * | * | trans | -113.8 | 140.3 | 178.3 | 172.6 | 0 | 0 | 0 | 0 | 110.2 | E38 | E38-V40 HydrophobicContact CG-CG2 4.07Å; E38-V40 WeakPolarHBondContact OE1-CG2 3.33Å | ||
| 41 | P | 44.2 | Very low | 40.9 | Very low | 115 Ų | 115 | 138.3 Ų | 138.3 | 75% | 0.747 | 78% | 0.778 | S | S | * | * | trans | -98.8 | 167.1 | -148.9 | 38 | -37.3 | 0 | 0 | 0 | 115.9 | ||||
| 42 | S | 41.5 | Very low | 40.4 | Very low | 129 Ų | 129 | 139.9 Ų | 139.9 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | trans | -55.3 | 132.4 | 175.2 | -46.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 43 | A | 37.3 | Very low | 40 | Very low | 100 Ų | 100 | 134.6 Ų | 134.6 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | trans | -131.7 | 147.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 44 | R | 44.3 | Very low | 39.4 | Very low | 210 Ų | 210 | 137.3 Ų | 137.3 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | trans | -68.6 | 157.1 | 167.9 | -70.7 | 170 | 155.4 | -139 | 1.2 | 110.3 | E46 | R44-E46 IonicContact NH1-OE2 3.97Š| ||
| 45 | L | 39.5 | Very low | 39.3 | Very low | 168 Ų | 168 | 138.2 Ų | 138.2 | 88% | 0.88 | 78% | 0.781 | S | S | * | * | trans | -144.3 | 136.3 | 138.6 | -144.2 | 70.4 | 0 | 0 | 0 | 110.9 | ||||
| 46 | E | 40.7 | Very low | 39 | Very low | 121 Ų | 121 | 141.7 Ų | 141.7 | 57% | 0.565 | 78% | 0.781 | S | S | * | * | trans | -106.7 | 173 | 163.8 | -71.3 | -178.3 | 89.2 | 0 | 0 | 108.4 | R44 | R44-E46 IonicContact NH1-OE2 3.97Š| ||
| 47 | Q | 38.4 | Very low | 38.9 | Very low | 172 Ų | 172 | 140.5 Ų | 140.5 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | 63.6 | 139.3 | 175.8 | -54.1 | 99.1 | 30.9 | 0 | 0 | 114.5 | ||||
| 48 | G | 32.8 | Very low | 38.6 | Very low | 64 Ų | 64 | 139.8 Ų | 139.8 | 66% | 0.66 | 77% | 0.769 | S | S | * | * | cis | 155.3 | 169.3 | 4.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 49 | Y | 35.1 | Very low | 38.2 | Very low | 243 Ų | 243 | 141.6 Ų | 141.6 | 95% | 0.953 | 78% | 0.777 | S | S | * | * | trans | 64.6 | 157 | 178 | -80.3 | -100.5 | 0 | 0 | 0 | 115.9 | ||||
| 50 | A | 35.3 | Very low | 37.5 | Very low | 90 Ų | 90 | 140.6 Ų | 140.6 | 74% | 0.744 | 77% | 0.768 | S | S | * | * | cis | -137 | 168.2 | -5.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 51 | A | 33.7 | Very low | 37.5 | Very low | 94 Ų | 94 | 145.3 Ų | 145.3 | 78% | 0.777 | 78% | 0.776 | S | S | * | * | trans | -96.7 | 157.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 52 | Q | 30.7 | Very low | 37.2 | Very low | 193 Ų | 193 | 145.3 Ų | 145.3 | 90% | 0.902 | 77% | 0.767 | S | S | * | * | trans | -153.7 | 115.5 | 149.2 | -117.7 | 169.2 | 2.9 | 0 | 0 | 110.6 | ||||
| 53 | V | 32.2 | Very low | 37.1 | Very low | 127 Ų | 127 | 146.7 Ų | 146.7 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | trans | -124.8 | 130.2 | 167.4 | 172.6 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 54 | L | 33.8 | Very low | 37 | Very low | 159 Ų | 159 | 150 Ų | 150 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | trans | -73 | 128.4 | 170.4 | -93.7 | 72.8 | 0 | 0 | 0 | 108.9 | ||||
| 55 | V | 38.6 | Very low | 36.7 | Very low | 114 Ų | 114 | 146.8 Ų | 146.8 | 69% | 0.691 | 76% | 0.758 | S | S | * | * | trans | -121.2 | 139.8 | 161.9 | 179.3 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 56 | Y | 33.2 | Very low | 36.6 | Very low | 207 Ų | 207 | 145.4 Ų | 145.4 | 81% | 0.812 | 76% | 0.756 | S | S | * | * | trans | -121.4 | 116.7 | 154.2 | -102.5 | -95.1 | 0 | 0 | 0 | 106.1 | ||||
| 57 | D | 41.4 | Very low | 36.7 | Very low | 127 Ų | 127 | 144.4 Ų | 144.4 | 68% | 0.679 | 77% | 0.769 | S | S | * | * | 35.1 | 142.4 | 121.3 | -64.2 | -103.1 | 0 | 0 | 0 | 120 | |||||
| 58 | D | 36.1 | Very low | 36.7 | Very low | 112 Ų | 112 | 143.3 Ų | 143.3 | 60% | 0.599 | 76% | 0.764 | S | S | * | * | cis | -166.6 | 138.1 | -6.1 | 166.9 | 34 | 0 | 0 | 0 | 108.3 | T60 | D58-T60 PolarHBondContact OD1-OG1 3.27Š| ||
| 59 | E | 41 | Very low | 37.1 | Very low | 196 Ų | 196 | 150 Ų | 150 | 92% | 0.916 | 78% | 0.778 | S | S | * | * | trans | -160.2 | 145 | 131.8 | 40.3 | -157.7 | 147.3 | 0 | 0 | 111.8 | ||||
| 60 | T | 39.8 | Very low | 37.3 | Very low | 102 Ų | 102 | 144.1 Ų | 144.1 | 63% | 0.626 | 76% | 0.759 | S | S | * | * | trans | -131.2 | 125.6 | -152.6 | -72.4 | 0 | 0 | 0 | 0 | 112.6 | D58 | D58-T60 PolarHBondContact OD1-OG1 3.27Š| ||
| 61 | Y | 38.4 | Very low | 37.3 | Very low | 208 Ų | 208 | 146.8 Ų | 146.8 | 82% | 0.816 | 76% | 0.757 | S | S | * | * | trans | -167.9 | 110.5 | 130.1 | -138 | -104.6 | 0 | 0 | 0 | 117.1 | ||||
| 62 | M | 36.6 | Very low | 37.4 | Very low | 116 Ų | 116 | 147.1 Ų | 147.1 | 57% | 0.571 | 75% | 0.748 | S | S | * | * | trans | 34.5 | 117.4 | 142.8 | -55.1 | -55.1 | -163.7 | 0 | 0 | 124.4 | ||||
| 63 | M | 41.2 | Very low | 37.8 | Very low | 158 Ų | 158 | 146.9 Ų | 146.9 | 78% | 0.778 | 75% | 0.747 | S | S | * | * | 60.5 | 119.8 | 124.5 | -58.1 | -173.2 | -65.7 | 0 | 0 | 121.9 | |||||
| 64 | Q | 35.4 | Very low | 37.9 | Very low | 169 Ų | 169 | 146.1 Ų | 146.1 | 79% | 0.79 | 74% | 0.743 | S | S | * | * | -160.9 | 135.2 | 103.5 | -177.5 | 52.6 | 62.5 | 0 | 0 | 110.7 | |||||
| 65 | D | 37.8 | Very low | 38 | Very low | 142 Ų | 142 | 146 Ų | 146 | 76% | 0.759 | 74% | 0.738 | S | S | * | * | trans | -67.8 | 138.7 | 172.6 | -64.9 | -89.1 | 0 | 0 | 0 | 113.1 | ||||
| 66 | V | 36.3 | Very low | 37.8 | Very low | 139 Ų | 139 | 148.8 Ų | 148.8 | 84% | 0.842 | 75% | 0.749 | S | S | * | * | -164.2 | 149.8 | 129.1 | 138.3 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 67 | A | 42.3 | Very low | 38.2 | Very low | 101 Ų | 101 | 144.6 Ų | 144.6 | 84% | 0.835 | 75% | 0.745 | S | S | * | * | trans | -71.7 | 137.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 68 | E | 39.2 | Very low | 37.9 | Very low | 148 Ų | 148 | 147.7 Ų | 147.7 | 69% | 0.692 | 76% | 0.756 | S | S | * | * | trans | -122.5 | 109.2 | 178.4 | -176.9 | 158.8 | -120.6 | 0 | 0 | 111.8 | Q70 | E68-Q70 VanDerWaalsContact CD-NE2 3.32Å; E68-Q70 HydrophobicContact CG-CB 4.07Å; E68-Q70 HydrophobicContact CG-CG 3.69Å; E68-Q70 PolarHBondContact OE1-NE2 3.12Å | ||
| 69 | E | 40.5 | Very low | 38 | Very low | 204 Ų | 204 | 148 Ų | 148 | 95% | 0.953 | 76% | 0.762 | S | S | * | * | trans | -90.7 | 85.1 | 161.5 | -67.1 | -170.1 | 147.3 | 0 | 0 | 109 | ||||
| 70 | Q | 40.9 | Very low | 38 | Very low | 121 Ų | 121 | 145.6 Ų | 145.6 | 57% | 0.565 | 76% | 0.76 | S | S | * | * | trans | -97.5 | 160.7 | 162 | -86 | -166.8 | 28.2 | 0 | 0 | 109.2 | E68 V72 | E68-Q70 VanDerWaalsContact CD-NE2 3.32Å; E68-Q70 HydrophobicContact CG-CB 4.07Å; E68-Q70 HydrophobicContact CG-CG 3.69Å; E68-Q70 PolarHBondContact OE1-NE2 3.12Å; Q70-V72 HydrophobicContact CB-CG2 4.29Å; Q70-V72 VanDerWaalsContact CD-CG2 3.5Å; Q70-V72 HydrophobicContact CG-CG2 3.89Å | ||
| 71 | E | 35.4 | Very low | 37.8 | Very low | 146 Ų | 146 | 149.6 Ų | 149.6 | 68% | 0.682 | 77% | 0.772 | S | S | * | * | cis | -111.4 | 115.5 | 29.7 | -61.3 | 170.5 | 138.3 | 0 | 0 | 111.9 | ||||
| 72 | V | 35.2 | Very low | 37.9 | Very low | 100 Ų | 100 | 144.7 Ų | 144.7 | 61% | 0.606 | 77% | 0.774 | S | S | * | * | 74.4 | 111.1 | 92.6 | 172.9 | 0 | 0 | 0 | 0 | 114.5 | Q70 | Q70-V72 HydrophobicContact CB-CG2 4.29Å; Q70-V72 VanDerWaalsContact CD-CG2 3.5Å; Q70-V72 HydrophobicContact CG-CG2 3.89Å | |||
| 73 | E | 38.3 | Very low | 37.8 | Very low | 188 Ų | 188 | 145 Ų | 145 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | trans | -116 | 121.7 | 164.4 | 173.1 | 175.6 | -138.1 | 0 | 0 | 108.1 | ||||
| 74 | T | 34.8 | Very low | 37.8 | Very low | 112 Ų | 112 | 142.8 Ų | 142.8 | 69% | 0.687 | 78% | 0.783 | S | S | * | * | trans | -148.8 | 111.8 | 157.1 | 31.1 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 75 | E | 35.1 | Very low | 37.8 | Very low | 156 Ų | 156 | 143.5 Ų | 143.5 | 73% | 0.729 | 79% | 0.786 | S | S | * | * | 72.1 | 110 | 79.8 | -170.6 | -178.9 | 177.2 | 0 | 0 | 112.1 | |||||
| 76 | N | 35.1 | Very low | 37.6 | Very low | 172 Ų | 172 | 142.7 Ų | 142.7 | 92% | 0.92 | 79% | 0.791 | S | S | * | * | trans | -149.4 | 93.4 | 145.2 | -134.7 | 32 | 0 | 0 | 0 | 106.6 | ||||
| 77 | V | 42.1 | Very low | 37.8 | Very low | 119 Ų | 119 | 141.6 Ų | 141.6 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | trans | -93.8 | 115.6 | 178.3 | 175.9 | 0 | 0 | 0 | 0 | 108.9 | T79 | V77-T79 HydrophobicContact CG1-CG2 4.31Š| ||
| 78 | E | 34.6 | Very low | 37.6 | Very low | 193 Ų | 193 | 142.3 Ų | 142.3 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | trans | -139.1 | 139.8 | 153.6 | -164.6 | 165.6 | -155.6 | 0 | 0 | 109.9 | ||||
| 79 | T | 39 | Very low | 37.6 | Very low | 119 Ų | 119 | 140.1 Ų | 140.1 | 73% | 0.73 | 79% | 0.786 | S | S | * | * | trans | -110.6 | 117 | -164 | 50.9 | 0 | 0 | 0 | 0 | 111.7 | V77 | V77-T79 HydrophobicContact CG1-CG2 4.31Š| ||
| 80 | V | 39.5 | Very low | 37.7 | Very low | 145 Ų | 145 | 138.1 Ų | 138.1 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | trans | -133.1 | 133 | 155.9 | -172.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 81 | E | 35.7 | Very low | 37.7 | Very low | 186 Ų | 186 | 136.8 Ų | 136.8 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | trans | -63.9 | 165.2 | -168.6 | -55.3 | 177.2 | 130.6 | 0 | 0 | 115.6 | ||||
| 82 | A | 41.3 | Very low | 38.7 | Very low | 105 Ų | 105 | 136.2 Ų | 136.2 | 87% | 0.868 | 79% | 0.786 | S | S | * | * | trans | -65.5 | 151.9 | -167.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 83 | S | 34 | Very low | 39.6 | Very low | 122 Ų | 122 | 135.2 Ų | 135.2 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | trans | -148.3 | 156.8 | 145.2 | -161.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 84 | V | 41 | Very low | 40.9 | Very low | 112 Ų | 112 | 134.5 Ų | 134.5 | 68% | 0.679 | 77% | 0.772 | S | S | * | * | trans | -65.3 | 148.4 | -175.3 | 170.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 85 | H | 35.2 | Very low | 42.5 | Very low | 184 Ų | 184 | 134.1 Ų | 134.1 | 85% | 0.852 | 77% | 0.769 | S | S | * | * | trans | -173.8 | 79.3 | 133.6 | -98.2 | 96.8 | 0 | 0 | 0 | 112.2 | S87 | H85-S87 PolarHBondContact O-N 3.09Š| ||
| 86 | S | 35.3 | Very low | 43.9 | Very low | 125 Ų | 125 | 131.7 Ų | 131.7 | 87% | 0.874 | 76% | 0.76 | S | S | * | * | trans | -81.4 | 95.2 | 174.3 | -62.8 | 0 | 0 | 0 | 0 | 111.8 | N88 | S86-N88 PolarHBondContact O-N 3.21Š| ||
| 87 | S | 38.6 | Very low | 45.8 | Very low | 116 Ų | 116 | 129.9 Ų | 129.9 | 81% | 0.811 | 75% | 0.746 | S | S | * | * | trans | -90.5 | 98.4 | -178.5 | 53.2 | 0 | 0 | 0 | 0 | 114.1 | H85 | H85-S87 PolarHBondContact O-N 3.09Š| ||
| 88 | N | 38 | Very low | 47.2 | Very low | 116 Ų | 116 | 126.9 Ų | 126.9 | 62% | 0.62 | 73% | 0.734 | S | S | * | * | trans | 58.7 | 88.3 | 151.9 | -161.3 | -13.1 | 0 | 0 | 0 | 118.7 | S86 H90 | S86-N88 PolarHBondContact O-N 3.21Å; N88-H90 PolarHBondContact OD1-CD2 2.99Å; N88-H90 PolarHBondContact OD1-N 2.79Å | ||
| 89 | A | 40.6 | Very low | 49 | Very low | 101 Ų | 101 | 119.8 Ų | 119.8 | 84% | 0.835 | 71% | 0.708 | S | S | * | * | trans | -116.2 | 93.6 | 148.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | C91 | A89-C91 VanDerWaalsContact C-N 3.35Å; A89-C91 PolarHBondContact O-N 2.64Å | ||
| 90 | H | 41.6 | Very low | 50.4 | Low | 163 Ų | 163 | 119.7 Ų | 119.7 | 76% | 0.755 | 70% | 0.7 | S | S | * | * | trans | -64.8 | 87.5 | 175.6 | -80.4 | -62.4 | 0 | 0 | 0 | 112.4 | N88 | N88-H90 PolarHBondContact OD1-CD2 2.99Å; N88-H90 PolarHBondContact OD1-N 2.79Å | ||
| 91 | C | 40.5 | Very low | 51.9 | Low | 92 Ų | 92 | 116 Ų | 116 | 62% | 0.622 | 68% | 0.684 | S | S | * | * | trans | -90.5 | 107.2 | 158.6 | -158.7 | 0 | 0 | 0 | 0 | 108.8 | A89 D93 | A89-C91 VanDerWaalsContact C-N 3.35Å; A89-C91 PolarHBondContact O-N 2.64Å; C91-D93 PolarHBondContact O-N 3.07Å | ||
| 92 | T | 57.4 | Low | 53.5 | Low | 134 Ų | 134 | 113.6 Ų | 113.6 | 82% | 0.822 | 68% | 0.677 | S | S | * | * | trans | -79.4 | 62.3 | 173.4 | 58.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 93 | D | 54.1 | Low | 54.9 | Low | 79 Ų | 79 | 115.8 Ų | 115.8 | 42% | 0.422 | 67% | 0.673 | S | S | . | * | trans | -91.3 | 108.9 | -178.1 | -143.5 | -46.1 | 0 | 0 | 0 | 109.6 | C91 T95 I96 | C91-D93 PolarHBondContact O-N 3.07Å; D93-T95 PolarHBondContact O-N 3.26Å; D93-T95 VanDerWaalsContact OD1-CB 3.31Å; D93-T95 WeakPolarHBondContact OD1-CB 3.27Å; D93-T95 PolarHBondContact OD1-N 2.87Å; D93-T95 PolarHBondContact OD1-OG1 3.49Å; D93-I96 WeakPolarHBondContact O-CG2 3.23Å; D93-I96 PolarHBondContact O-N 3.47Å | ||
| 94 | K | 64.8 | Low | 56.3 | Low | 174 Ų | 174 | 117.9 Ų | 117.9 | 76% | 0.757 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -62.9 | -12.5 | 179.7 | -63 | -171.4 | 174.4 | -165.6 | 0 | 113 | I96 A98 | K94-I96 VanDerWaalsContact C-N 3.28Å; K94-A98 PolarHBondContact O-N 3.5Å |
| 95 | T | 68.2 | Low | 57.3 | Low | 103 Ų | 103 | 119.5 Ų | 119.5 | 63% | 0.632 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -65.1 | -29.6 | 170.6 | -40.4 | 0 | 0 | 0 | 0 | 112.2 | D93 A99 | D93-T95 PolarHBondContact O-N 3.26Å; D93-T95 VanDerWaalsContact OD1-CB 3.31Å; D93-T95 WeakPolarHBondContact OD1-CB 3.27Å; D93-T95 PolarHBondContact OD1-N 2.87Å; D93-T95 PolarHBondContact OD1-OG1 3.49Å; T95-A99 PolarHBondContact O-N 3.19Å |
| 96 | I | 65.2 | Low | 58.4 | Low | 105 Ų | 105 | 119.1 Ų | 119.1 | 54% | 0.538 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -82.5 | -41.9 | -175 | -138.7 | 166.4 | 0 | 0 | 0 | 112 | D93 K94 A98 A99 E100 | D93-I96 WeakPolarHBondContact O-CG2 3.23Å; D93-I96 PolarHBondContact O-N 3.47Å; K94-I96 VanDerWaalsContact C-N 3.28Å; I96-A98 PolarHBondContact O-N 2.76Å; I96-A99 WeakPolarHBondContact O-CA 3.32Å; I96-A99 WeakPolarHBondContact O-CB 3.27Å; I96-A99 PolarHBondContact O-N 3.1Å; I96-E100 PolarHBondContact O-N 3.31Å |
| 97 | E | 74.6 | Confident | 58.9 | Low | 135 Ų | 135 | 117.4 Ų | 117.4 | 63% | 0.631 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -57.7 | -38.9 | 172.5 | -177.8 | 179.8 | -163.1 | 0 | 0 | 111.2 | A101 | E97-A101 WeakPolarHBondContact O-CB 3.37Å; E97-A101 PolarHBondContact O-N 2.93Å; E97-A101 VanDerWaalsContact O-N 3.08Å |
| 98 | A | 72.4 | Confident | 59.3 | Low | 55 Ų | 55 | 118.3 Ų | 118.3 | 46% | 0.455 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -70.3 | -28 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | K94 I96 L102 | K94-A98 PolarHBondContact O-N 3.5Å; I96-A98 PolarHBondContact O-N 2.76Å; A98-L102 WeakPolarHBondContact O-CG 3.06Å; A98-L102 PolarHBondContact O-N 2.91Å |
| 99 | A | 72.8 | Confident | 59.3 | Low | 45 Ų | 45 | 118.6 Ų | 118.6 | 37% | 0.372 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -76.7 | -42.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | T95 I96 A101 L102 L103 | T95-A99 PolarHBondContact O-N 3.19Å; I96-A99 WeakPolarHBondContact O-CA 3.32Å; I96-A99 WeakPolarHBondContact O-CB 3.27Å; I96-A99 PolarHBondContact O-N 3.1Å; A99-A101 VanDerWaalsContact C-N 3.32Å; A99-A101 PolarHBondContact O-N 3.35Å; A99-L102 PolarHBondContact O-N 3.1Å; A99-L103 WeakPolarHBondContact O-CG 3.09Å; A99-L103 PolarHBondContact O-N 2.78Å |
| 100 | E | 67.3 | Low | 59.1 | Low | 117 Ų | 117 | 119.4 Ų | 119.4 | 55% | 0.547 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -61.1 | -41.1 | 174.3 | -68.4 | 176.7 | 143.4 | 0 | 0 | 111.3 | I96 L102 L103 H104 | I96-E100 PolarHBondContact O-N 3.31Å; E100-L102 VanDerWaalsContact C-N 3.26Å; E100-L102 PolarHBondContact O-N 3.33Å; E100-L103 PolarHBondContact O-N 3.38Å; E100-L103 VanDerWaalsContact O-N 3.15Å; E100-H104 PolarHBondContact O-CD2 3.5Å; E100-H104 PolarHBondContact O-N 3.39Å |
| 101 | A | 70.4 | Confident | 59.1 | Low | 67 Ų | 67 | 118.8 Ų | 118.8 | 55% | 0.554 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -61.3 | -29.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | E97 A99 | E97-A101 WeakPolarHBondContact O-CB 3.37Å; E97-A101 PolarHBondContact O-N 2.93Å; E97-A101 VanDerWaalsContact O-N 3.08Å; A99-A101 VanDerWaalsContact C-N 3.32Å; A99-A101 PolarHBondContact O-N 3.35Å |
| 102 | L | 71.3 | Confident | 59.2 | Low | 136 Ų | 136 | 125.6 Ų | 125.6 | 71% | 0.712 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -80.1 | -26.4 | 176.2 | -72.7 | 170.4 | 0 | 0 | 0 | 112.9 | A98 A99 E100 | A98-L102 WeakPolarHBondContact O-CG 3.06Å; A98-L102 PolarHBondContact O-N 2.91Å; A99-L102 PolarHBondContact O-N 3.1Å; E100-L102 VanDerWaalsContact C-N 3.26Å; E100-L102 PolarHBondContact O-N 3.33Å |
| 103 | L | 69.6 | Low | 58.1 | Low | 150 Ų | 150 | 125.8 Ų | 125.8 | 79% | 0.785 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -80.5 | -17.8 | 178.5 | -67.1 | 171.2 | 0 | 0 | 0 | 113.3 | A99 E100 | A99-L103 WeakPolarHBondContact O-CG 3.09Å; A99-L103 PolarHBondContact O-N 2.78Å; E100-L103 PolarHBondContact O-N 3.38Å; E100-L103 VanDerWaalsContact O-N 3.15Å |
| 104 | H | 63.4 | Low | 57.3 | Low | 167 Ų | 167 | 127.4 Ų | 127.4 | 77% | 0.773 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | 11 | 177.4 | -81.4 | -70.7 | 0 | 0 | 0 | 114.9 | E100 E106 | E100-H104 PolarHBondContact O-CD2 3.5Å; E100-H104 PolarHBondContact O-N 3.39Å; H104-E106 PolarHBondContact O-N 3.23Å |
| 105 | M | 62.7 | Low | 55.9 | Low | 146 Ų | 146 | 130 Ų | 130 | 72% | 0.719 | 70% | 0.697 | S | S | * | * | trans | -78.4 | 83.3 | 172.3 | -81.7 | -107.9 | 56.9 | 0 | 0 | 111.4 | ||||
| 106 | E | 57.6 | Low | 54.3 | Low | 175 Ų | 175 | 130.2 Ų | 130.2 | 82% | 0.818 | 70% | 0.703 | S | S | * | * | trans | -65.3 | 136.7 | 170 | -171 | 173.5 | 175.3 | 0 | 0 | 111.3 | H104 | H104-E106 PolarHBondContact O-N 3.23Š| ||
| 107 | S | 45.7 | Very low | 53.4 | Low | 90 Ų | 90 | 130 Ų | 130 | 63% | 0.629 | 71% | 0.709 | S | S | * | * | trans | -70 | 125.6 | -178.1 | -68.4 | 0 | 0 | 0 | 0 | 111.6 | T109 | S107-T109 PolarHBondContact O-N 3.1Š| ||
| 108 | P | 46.6 | Very low | 51.5 | Low | 134 Ų | 134 | 129.7 Ų | 129.7 | 87% | 0.87 | 72% | 0.716 | S | S | * | * | trans | -75.2 | 85.2 | -178 | 30.5 | -35.5 | 0 | 0 | 0 | 111.8 | ||||
| 109 | T | 38.4 | Very low | 49.6 | Very low | 123 Ų | 123 | 135.2 Ų | 135.2 | 76% | 0.755 | 73% | 0.732 | S | S | * | * | trans | -97 | 130.9 | 171.1 | 53.3 | 0 | 0 | 0 | 0 | 111.2 | S107 | S107-T109 PolarHBondContact O-N 3.1Š| ||
| 110 | C | 36.5 | Very low | 47.9 | Very low | 117 Ų | 117 | 138.6 Ų | 138.6 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | trans | 55.9 | 112.3 | 172.5 | -159.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 111 | L | 41.4 | Very low | 46.1 | Very low | 151 Ų | 151 | 142.4 Ų | 142.4 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | -168.8 | 118 | 120.3 | -108 | 173.7 | 0 | 0 | 0 | 111.4 | |||||
| 112 | R | 42.3 | Very low | 44.6 | Very low | 235 Ų | 235 | 144.7 Ų | 144.7 | 89% | 0.887 | 77% | 0.77 | S | S | * | * | -163.4 | 123.4 | 123 | -100.4 | -62.7 | 153.1 | -170.6 | -3.7 | 110.7 | |||||
| 113 | D | 33.8 | Very low | 43.3 | Very low | 137 Ų | 137 | 144 Ų | 144 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | trans | -68.2 | 145.3 | 172.8 | -175 | -80.5 | 0 | 0 | 0 | 112 | ||||
| 114 | S | 37.2 | Very low | 42.5 | Very low | 113 Ų | 113 | 141.6 Ų | 141.6 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | -159.4 | 121.7 | 138.9 | 43.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 115 | R | 36.3 | Very low | 41 | Very low | 229 Ų | 229 | 138.9 Ų | 138.9 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | trans | 75.3 | 90.5 | 152.8 | -168.8 | 176.6 | -75.6 | -136.6 | -2.4 | 119 | ||||
| 116 | S | 35.5 | Very low | 39.6 | Very low | 107 Ų | 107 | 137.8 Ų | 137.8 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | trans | -46.9 | 143.8 | 139.2 | -179.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 117 | P | 46.3 | Very low | 38.4 | Very low | 102 Ų | 102 | 133.7 Ų | 133.7 | 66% | 0.662 | 76% | 0.757 | S | S | * | * | -144.1 | 163.4 | 51.2 | 41.8 | -23.6 | 0 | 0 | 0 | 119 | |||||
| 118 | V | 33.4 | Very low | 37.9 | Very low | 128 Ų | 128 | 135.8 Ų | 135.8 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | trans | 52.6 | 118.5 | 142.3 | 176.5 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 119 | E | 33.8 | Very low | 38.4 | Very low | 171 Ų | 171 | 134.7 Ų | 134.7 | 80% | 0.799 | 76% | 0.759 | S | S | * | * | -172.7 | -179.7 | 63.1 | -147 | 178.1 | 163.2 | 0 | 0 | 112.9 | |||||
| 120 | V | 35.8 | Very low | 38 | Very low | 115 Ų | 115 | 137.1 Ų | 137.1 | 70% | 0.697 | 76% | 0.762 | S | S | * | * | trans | 59.2 | 98.2 | 155 | -177 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 121 | F | 30.6 | Very low | 38 | Very low | 197 Ų | 197 | 140.6 Ų | 140.6 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | 71 | 131.2 | 114.7 | -132.5 | -102.6 | 0 | 0 | 0 | 123.4 | |||||
| 122 | V | 38.4 | Very low | 38 | Very low | 115 Ų | 115 | 140.1 Ų | 140.1 | 70% | 0.697 | 76% | 0.761 | S | S | * | * | trans | -87.4 | 142.5 | 174.4 | 166.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 123 | P | 43.8 | Very low | 37.7 | Very low | 121 Ų | 121 | 136.7 Ų | 136.7 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | -145.4 | 168 | 118.9 | 28.3 | -7.2 | 0 | 0 | 0 | 115.8 | |||||
| 124 | P | 52.4 | Low | 37.8 | Very low | 100 Ų | 100 | 134.5 Ų | 134.5 | 65% | 0.649 | 76% | 0.756 | S | S | * | * | trans | -134.1 | -174.5 | -153 | 37.9 | -17.5 | 0 | 0 | 0 | 117.1 | ||||
| 125 | C | 33.4 | Very low | 37.7 | Very low | 110 Ų | 110 | 133.4 Ų | 133.4 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | trans | 61.7 | 172.7 | 160.4 | 56.7 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 126 | V | 31.5 | Very low | 37.6 | Very low | 123 Ų | 123 | 131.2 Ų | 131.2 | 75% | 0.745 | 76% | 0.755 | S | S | * | * | cis | -152.3 | 165.5 | 20.5 | -139.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 127 | S | 32.4 | Very low | 37.8 | Very low | 90 Ų | 90 | 137.3 Ų | 137.3 | 63% | 0.629 | 76% | 0.762 | S | S | * | * | trans | 70.1 | 97.9 | 140.6 | -79.3 | 0 | 0 | 0 | 0 | 124 | ||||
| 128 | T | 35.4 | Very low | 37.8 | Very low | 133 Ų | 133 | 137.2 Ų | 137.2 | 82% | 0.816 | 76% | 0.761 | S | S | * | * | 69.1 | 165.2 | 111.9 | 53.2 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 129 | P | 58.7 | Low | 37.7 | Very low | 112 Ų | 112 | 138 Ų | 138 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | -120.7 | -173.3 | -142.9 | 44.6 | -34.5 | 0 | 0 | 0 | 114.9 | ||||
| 130 | E | 28.2 | Very low | 37.8 | Very low | 173 Ų | 173 | 135.6 Ų | 135.6 | 81% | 0.808 | 76% | 0.758 | S | S | * | * | trans | -153.7 | 157.7 | 150.2 | -152.1 | 62.6 | -97.5 | 0 | 0 | 111 | ||||
| 131 | F | 37.8 | Very low | 38.2 | Very low | 190 Ų | 190 | 137.2 Ų | 137.2 | 83% | 0.833 | 76% | 0.761 | S | S | * | * | trans | -79.2 | 172.1 | 169.5 | -90.6 | -133.3 | 0 | 0 | 0 | 111.4 | ||||
| 132 | I | 40.6 | Very low | 38.5 | Very low | 142 Ų | 142 | 133.2 Ų | 133.2 | 73% | 0.728 | 75% | 0.753 | S | S | * | * | 173 | 123.3 | 112.6 | -91.1 | 179.1 | 0 | 0 | 0 | 113.6 | |||||
| 133 | H | 37.5 | Very low | 38.3 | Very low | 163 Ų | 163 | 136.4 Ų | 136.4 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | trans | 59 | 128.4 | 144.7 | -67.8 | -128.2 | 0 | 0 | 0 | 119.9 | ||||
| 134 | A | 34.3 | Very low | 38 | Very low | 91 Ų | 91 | 136.4 Ų | 136.4 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | 71.9 | 142 | 79.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 135 | A | 35.6 | Very low | 37.2 | Very low | 90 Ų | 90 | 137.7 Ų | 137.7 | 74% | 0.744 | 76% | 0.764 | S | S | * | * | cis | -165.2 | -154.3 | -7.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 136 | M | 35 | Very low | 37.2 | Very low | 182 Ų | 182 | 138.8 Ų | 138.8 | 90% | 0.897 | 77% | 0.767 | S | S | * | * | trans | 81.6 | 109.4 | 160.2 | -52.1 | -169.2 | 72.5 | 0 | 0 | 119.7 | ||||
| 137 | R | 38.7 | Very low | 37.5 | Very low | 235 Ų | 235 | 141.7 Ų | 141.7 | 89% | 0.887 | 77% | 0.772 | S | S | * | * | trans | -87.7 | 171.6 | 138.3 | -86.5 | -178.8 | 179 | 155.3 | 0.5 | 108 | ||||
| 138 | P | 45.8 | Very low | 37.5 | Very low | 101 Ų | 101 | 143.9 Ų | 143.9 | 66% | 0.656 | 78% | 0.782 | S | S | * | * | cis | -149.3 | -171.7 | 30.5 | 45.6 | -24.7 | 0 | 0 | 0 | 118.9 | ||||
| 139 | D | 33 | Very low | 37.4 | Very low | 145 Ų | 145 | 142.3 Ų | 142.3 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | trans | 81.6 | 118.1 | 147 | -64.8 | -23.2 | 0 | 0 | 0 | 125.6 | ||||
| 140 | V | 35.6 | Very low | 36.3 | Very low | 120 Ų | 120 | 143.6 Ų | 143.6 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | 61.6 | 101.5 | 129 | -175.5 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 141 | I | 43.7 | Very low | 36.5 | Very low | 148 Ų | 148 | 144.8 Ų | 144.8 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | -177.8 | 129.8 | 113.7 | 44.9 | 178.3 | 0 | 0 | 0 | 107.1 | |||||
| 142 | T | 36.9 | Very low | 36 | Very low | 114 Ų | 114 | 143.9 Ų | 143.9 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | 59.5 | 115.1 | 65.9 | 65.1 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 143 | E | 34.6 | Very low | 35.8 | Very low | 182 Ų | 182 | 141.6 Ų | 141.6 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | trans | 67.6 | 147.5 | 168.9 | -57.5 | -170.5 | 152.1 | 0 | 0 | 115.5 | ||||
| 144 | T | 37.6 | Very low | 35.8 | Very low | 120 Ų | 120 | 142.4 Ų | 142.4 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | cis | -153.6 | 172.5 | -10.2 | 9.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 145 | V | 34.2 | Very low | 36.6 | Very low | 128 Ų | 128 | 143 Ų | 143 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | -3.9 | 130.8 | 157 | -178.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 146 | V | 33.4 | Very low | 36.6 | Very low | 132 Ų | 132 | 147.6 Ų | 147.6 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | trans | -155.1 | 145.4 | 139.6 | 126.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 147 | E | 37.7 | Very low | 36.6 | Very low | 184 Ų | 184 | 145.3 Ų | 145.3 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | trans | -88 | 141.7 | 172.7 | -62.2 | 172.8 | 110.9 | 0 | 0 | 110.1 | ||||
| 148 | V | 32.9 | Very low | 36.3 | Very low | 137 Ų | 137 | 140.4 Ų | 140.4 | 83% | 0.83 | 78% | 0.779 | S | S | * | * | trans | -107.1 | 134.4 | 176.4 | 177.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 149 | S | 34.5 | Very low | 36 | Very low | 100 Ų | 100 | 141 Ų | 141 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | trans | -146.1 | 146.3 | 175.6 | -78 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 150 | T | 34.2 | Very low | 36.8 | Very low | 138 Ų | 138 | 139.1 Ų | 139.1 | 85% | 0.847 | 78% | 0.781 | S | S | * | * | trans | 61.8 | 111.8 | 151.8 | 53.2 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 151 | E | 32.7 | Very low | 36.7 | Very low | 198 Ų | 198 | 141.2 Ų | 141.2 | 93% | 0.925 | 79% | 0.787 | S | S | * | * | trans | -171.1 | 152.4 | 151.6 | 56.3 | -163.7 | 162.8 | 0 | 0 | 106.9 | ||||
| 152 | E | 28.2 | Very low | 36.8 | Very low | 171 Ų | 171 | 139.2 Ų | 139.2 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | cis | -147.1 | 128.6 | -12.8 | -177 | 179 | 18.6 | 0 | 0 | 106.3 | ||||
| 153 | S | 34.5 | Very low | 36.3 | Very low | 95 Ų | 95 | 140.3 Ų | 140.3 | 66% | 0.664 | 79% | 0.79 | S | S | * | * | 56.7 | 132.9 | 91.6 | 134.4 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 154 | E | 37.7 | Very low | 36.2 | Very low | 179 Ų | 179 | 136.3 Ų | 136.3 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | cis | -137.8 | -86.7 | -11.2 | -91.1 | -143.3 | 128.7 | 0 | 0 | 115.7 | ||||
| 155 | P | 52.3 | Low | 36.5 | Very low | 104 Ų | 104 | 136.4 Ų | 136.4 | 68% | 0.675 | 79% | 0.785 | S | S | * | * | trans | -137.1 | 165.4 | -131.6 | 39.7 | -21.7 | 0 | 0 | 0 | 119.9 | ||||
| 156 | M | 34.3 | Very low | 36.2 | Very low | 187 Ų | 187 | 136.1 Ų | 136.1 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | -165.9 | 162.2 | 127.6 | -105.4 | -62.7 | 170.6 | 0 | 0 | 113.3 | |||||
| 157 | D | 35.9 | Very low | 36.1 | Very low | 134 Ų | 134 | 134.4 Ų | 134.4 | 72% | 0.717 | 77% | 0.773 | S | S | * | * | trans | -82.9 | 152.4 | -157.4 | -151.2 | -61.4 | 0 | 0 | 0 | 116.9 | ||||
| 158 | T | 31.6 | Very low | 35.8 | Very low | 132 Ų | 132 | 132.9 Ų | 132.9 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | 165.9 | 156.9 | 128.5 | 38.7 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 159 | S | 40.4 | Very low | 35.9 | Very low | 112 Ų | 112 | 132.4 Ų | 132.4 | 78% | 0.783 | 75% | 0.754 | S | S | * | * | trans | -153.4 | -180 | -179.5 | -70.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 160 | P | 50.2 | Low | 36.2 | Very low | 106 Ų | 106 | 133.2 Ų | 133.2 | 69% | 0.688 | 76% | 0.757 | S | S | * | * | cis | -143 | 173.7 | 4.9 | 44.2 | -26 | 0 | 0 | 0 | 118.3 | ||||
| 161 | I | 32.3 | Very low | 36 | Very low | 164 Ų | 164 | 132.3 Ų | 132.3 | 84% | 0.841 | 75% | 0.745 | S | S | * | * | trans | 75.6 | 152.8 | 140.9 | -83.5 | 167.8 | 0 | 0 | 0 | 119.9 | ||||
| 162 | P | 47.4 | Very low | 36.1 | Very low | 107 Ų | 107 | 129.6 Ų | 129.6 | 70% | 0.695 | 73% | 0.73 | S | S | * | * | trans | -131.9 | -177.3 | -134.5 | 46 | -33.3 | 0 | 0 | 0 | 117.7 | ||||
| 163 | T | 25.1 | Very low | 36.6 | Very low | 136 Ų | 136 | 129.4 Ų | 129.4 | 83% | 0.834 | 73% | 0.726 | S | S | * | * | trans | -154 | 160.6 | 160.2 | 0.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 164 | S | 32.3 | Very low | 36.7 | Very low | 99 Ų | 99 | 133.3 Ų | 133.3 | 69% | 0.692 | 73% | 0.731 | S | S | * | * | trans | -32.5 | 160 | 163.8 | 48.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 165 | P | 43.5 | Very low | 36.5 | Very low | 122 Ų | 122 | 133.4 Ų | 133.4 | 79% | 0.792 | 73% | 0.729 | S | S | * | * | cis | -131.9 | 172.1 | 39 | 44 | -28.5 | 0 | 0 | 0 | 114.6 | ||||
| 166 | D | 28.8 | Very low | 35.8 | Very low | 122 Ų | 122 | 135 Ų | 135 | 65% | 0.652 | 74% | 0.736 | S | S | * | * | cis | 78.2 | 106.7 | 28 | -164.2 | 77.5 | 0 | 0 | 0 | 118.3 | ||||
| 167 | S | 31.6 | Very low | 35.9 | Very low | 96 Ų | 96 | 129.2 Ų | 129.2 | 67% | 0.671 | 73% | 0.725 | S | S | * | * | 173 | 113.1 | 119.3 | -103.3 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 168 | H | 31.6 | Very low | 36.1 | Very low | 152 Ų | 152 | 135.2 Ų | 135.2 | 70% | 0.704 | 74% | 0.737 | S | S | * | * | trans | 45.5 | 112.2 | 145 | -63.1 | -72.3 | 0 | 0 | 0 | 124.5 | ||||
| 169 | E | 34.6 | Very low | 36.2 | Very low | 127 Ų | 127 | 138.5 Ų | 138.5 | 59% | 0.593 | 74% | 0.741 | S | S | * | * | 42.7 | 164.1 | 105.2 | -69.8 | -92.2 | 75.3 | 0 | 0 | 121.8 | M171 | E169-M171 VanDerWaalsContact OE1-CE 3.23Å; E169-M171 WeakPolarHBondContact OE1-CE 3.44Å; E169-M171 WeakPolarHBondContact OE1-CG 3.28Å | |||
| 170 | P | 40.5 | Very low | 36.9 | Very low | 117 Ų | 117 | 138.7 Ų | 138.7 | 76% | 0.76 | 74% | 0.739 | S | S | * | * | cis | -120.9 | 165.2 | -11 | 21.3 | 2.5 | 0 | 0 | 0 | 112.5 | ||||
| 171 | M | 29.7 | Very low | 35.9 | Very low | 118 Ų | 118 | 143 Ų | 143 | 58% | 0.581 | 75% | 0.747 | S | S | * | * | cis | 96.9 | 114.8 | 33.8 | -84.7 | -161.5 | -168.6 | 0 | 0 | 118.9 | E169 | E169-M171 VanDerWaalsContact OE1-CE 3.23Å; E169-M171 WeakPolarHBondContact OE1-CE 3.44Å; E169-M171 WeakPolarHBondContact OE1-CG 3.28Å | ||
| 172 | K | 35.7 | Very low | 35.8 | Very low | 142 Ų | 142 | 140.6 Ų | 140.6 | 62% | 0.617 | 74% | 0.74 | S | S | * | * | trans | 85.6 | 119.5 | 131.1 | -70.1 | 169.5 | 177.7 | 155.5 | 0 | 123.5 | ||||
| 173 | K | 38.1 | Very low | 35.1 | Very low | 166 Ų | 166 | 143.8 Ų | 143.8 | 72% | 0.722 | 75% | 0.746 | S | S | * | * | trans | 78.7 | 160.2 | 131.2 | -63.4 | 169.9 | -173 | 174.5 | 0 | 117.5 | ||||
| 174 | K | 36.2 | Very low | 35.4 | Very low | 178 Ų | 178 | 146.5 Ų | 146.5 | 77% | 0.774 | 75% | 0.749 | S | S | * | * | cis | -162.5 | 150.1 | 7.2 | -135.5 | 171.1 | -177.2 | -180 | 0 | 114.6 | ||||
| 175 | K | 34.6 | Very low | 35.4 | Very low | 181 Ų | 181 | 146.8 Ų | 146.8 | 79% | 0.787 | 75% | 0.751 | S | S | * | * | trans | 55.7 | 122.2 | 144.5 | -92.3 | -161.6 | 168.9 | -173.1 | 0 | 124.9 | ||||
| 176 | V | 37.5 | Very low | 36.1 | Very low | 137 Ų | 137 | 146.3 Ų | 146.3 | 83% | 0.83 | 75% | 0.748 | S | S | * | * | 70.2 | 129.8 | 124.5 | 173 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 177 | G | 35.9 | Very low | 36.3 | Very low | 66 Ų | 66 | 148 Ų | 148 | 68% | 0.68 | 76% | 0.756 | S | S | * | * | trans | 169.8 | 60 | 154.9 | 0 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 178 | R | 39.5 | Very low | 36.2 | Very low | 259 Ų | 259 | 147.6 Ų | 147.6 | 98% | 0.977 | 75% | 0.753 | S | S | * | * | trans | 67 | -171.7 | 152.8 | -62.4 | 179.7 | 173.2 | 175.2 | -2.2 | 118.8 | ||||
| 179 | K | 34.8 | Very low | 36.2 | Very low | 202 Ų | 202 | 148 Ų | 148 | 88% | 0.878 | 76% | 0.76 | S | S | * | * | trans | -118.1 | -158.6 | -153 | -54.2 | -176.8 | 177.5 | -178.6 | 0 | 114.5 | ||||
| 180 | P | 54.9 | Low | 36 | Very low | 115 Ų | 115 | 145.5 Ų | 145.5 | 75% | 0.747 | 77% | 0.768 | S | S | * | * | -129.2 | 170.1 | -105.3 | 41.3 | -22.5 | 0 | 0 | 0 | 115.9 | |||||
| 181 | K | 28.9 | Very low | 35.6 | Very low | 197 Ų | 197 | 145.5 Ų | 145.5 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | trans | -160.4 | 137.7 | 162.7 | -147 | 116.9 | -176.9 | -175.6 | 0 | 118.4 | ||||
| 182 | T | 30.4 | Very low | 36.6 | Very low | 113 Ų | 113 | 145.4 Ų | 145.4 | 69% | 0.693 | 78% | 0.779 | S | S | * | * | trans | 62.4 | 148 | 143 | -66.2 | 0 | 0 | 0 | 0 | 123 | ||||
| 183 | Q | 33 | Very low | 36.4 | Very low | 174 Ų | 174 | 147.7 Ų | 147.7 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | trans | -67.2 | 161 | 179.5 | -54.1 | 159.3 | -55.4 | 0 | 0 | 115 | ||||
| 184 | Q | 31.8 | Very low | 36.7 | Very low | 193 Ų | 193 | 147.6 Ų | 147.6 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | -160.3 | 161.9 | 125.5 | -114.7 | 155.8 | 103.6 | 0 | 0 | 113.4 | |||||
| 185 | S | 31.3 | Very low | 37 | Very low | 106 Ų | 106 | 142.8 Ų | 142.8 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | trans | -164.7 | 177.1 | 174.2 | 65.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 186 | P | 59.1 | Low | 37.4 | Very low | 112 Ų | 112 | 140.6 Ų | 140.6 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | cis | -118.2 | -125.1 | -20.2 | 37.5 | -21 | 0 | 0 | 0 | 110.3 | ||||
| 187 | I | 32.4 | Very low | 37.8 | Very low | 158 Ų | 158 | 144.3 Ų | 144.3 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | trans | 85 | 140.3 | 168 | -57.8 | 159.4 | 0 | 0 | 0 | 116.2 | ||||
| 188 | S | 29.6 | Very low | 38.1 | Very low | 87 Ų | 87 | 149.3 Ų | 149.3 | 61% | 0.608 | 80% | 0.803 | S | S | * | * | cis | -172.8 | 171.1 | -31.4 | -156.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 189 | N | 31.1 | Very low | 38.1 | Very low | 161 Ų | 161 | 144.5 Ų | 144.5 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | trans | 81.2 | 150.4 | 151.5 | -59.2 | -15.4 | 0 | 0 | 0 | 121.9 | ||||
| 190 | G | 31.6 | Very low | 38.4 | Very low | 73 Ų | 73 | 139.9 Ų | 139.9 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | trans | 111.5 | 78.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 191 | S | 32 | Very low | 38 | Very low | 118 Ų | 118 | 145.8 Ų | 145.8 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | 77.9 | 158.6 | 62.6 | -128.3 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 192 | P | 50.3 | Low | 39 | Very low | 116 Ų | 116 | 142.9 Ų | 142.9 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | -130.5 | 162.6 | -98.7 | 38.2 | -21.7 | 0 | 0 | 0 | 115.8 | |||||
| 193 | E | 31.7 | Very low | 39.8 | Very low | 190 Ų | 190 | 141 Ų | 141 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | trans | -146.1 | 171.7 | 162.3 | -135.3 | -161.7 | 103.1 | 0 | 0 | 113.4 | ||||
| 194 | L | 44.6 | Very low | 40.5 | Very low | 164 Ų | 164 | 140.5 Ų | 140.5 | 86% | 0.859 | 77% | 0.774 | S | S | * | * | trans | -121.8 | 163.2 | -158.5 | -66.8 | 170.8 | 0 | 0 | 0 | 113.7 | ||||
| 195 | G | 41.2 | Very low | 41.9 | Very low | 77 Ų | 77 | 133.1 Ų | 133.1 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | trans | 94.4 | 47 | 133.4 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 196 | I | 44.5 | Very low | 43.1 | Very low | 135 Ų | 135 | 134 Ų | 134 | 69% | 0.692 | 75% | 0.747 | S | S | * | * | trans | -126.7 | 113.8 | 153.3 | -49.8 | 178.7 | 0 | 0 | 0 | 110.7 | K198 | I196-K198 HydrophobicContact CG2-CD 4.25Å; I196-K198 HydrophobicContact CG2-CG 4.36Å; I196-K198 PolarHBondContact O-N 2.71Å | ||
| 197 | K | 45.6 | Very low | 43.6 | Very low | 214 Ų | 214 | 133.6 Ų | 133.6 | 93% | 0.93 | 74% | 0.742 | S | S | * | * | trans | -72 | 76.3 | 167.4 | -86.8 | -164.6 | 175 | 178.5 | 0 | 110.9 | K199 | K197-K199 PolarHBondContact O-N 3.26Š| ||
| 198 | K | 41.5 | Very low | 46.2 | Very low | 172 Ų | 172 | 127 Ų | 127 | 75% | 0.748 | 71% | 0.71 | S | S | * | * | trans | -58.5 | 125.6 | 155.8 | -58.7 | -68.8 | -179.1 | 179.7 | 0 | 106.8 | I196 | I196-K198 HydrophobicContact CG2-CD 4.25Å; I196-K198 HydrophobicContact CG2-CG 4.36Å; I196-K198 PolarHBondContact O-N 2.71Å | ||
| 199 | K | 39.8 | Very low | 49.3 | Very low | 158 Ų | 158 | 128.8 Ų | 128.8 | 69% | 0.687 | 70% | 0.704 | S | S | * | * | trans | -52.7 | 149.8 | 164 | -74.9 | -167 | 176.7 | -175.2 | 0 | 108.1 | K197 R201 | K197-K199 PolarHBondContact O-N 3.26Å; K199-R201 PolarHBondContact O-N 2.87Å | ||
| 200 | P | 40.3 | Very low | 52.3 | Low | 104 Ų | 104 | 121.2 Ų | 121.2 | 68% | 0.675 | 66% | 0.663 | S | S | * | * | trans | -52.8 | 107.6 | 171.5 | -23.2 | 34.1 | 0 | 0 | 0 | 108.5 | E202 | P200-E202 VanDerWaalsContact O-CD 3.23Å; P200-E202 PolarHBondContact O-N 3.4Å | ||
| 201 | R | 46.5 | Very low | 55.3 | Low | 240 Ų | 240 | 120.6 Ų | 120.6 | 91% | 0.906 | 64% | 0.638 | S | S | * | * | trans | -62.7 | 109.3 | 170.2 | 178.2 | 179.6 | -175.1 | 166 | 1.4 | 104.1 | K199 G203 | K199-R201 PolarHBondContact O-N 2.87Å; R201-G203 PolarHBondContact O-N 3.03Å | ||
| 202 | E | 51.1 | Low | 58.2 | Low | 136 Ų | 136 | 117.7 Ų | 117.7 | 64% | 0.636 | 61% | 0.612 | S | S | * | * | trans | -62.9 | 71.4 | -171.1 | -89 | 81.4 | -151.6 | 0 | 0 | 113.2 | P200 K204 | P200-E202 VanDerWaalsContact O-CD 3.23Å; P200-E202 PolarHBondContact O-N 3.4Å; E202-K204 PolarHBondContact O-N 2.88Å | ||
| 203 | G | 47.5 | Very low | 60.2 | Low | 73 Ų | 73 | 112.8 Ų | 112.8 | 75% | 0.753 | 58% | 0.578 | S | S | * | * | trans | -73.4 | 37.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | R201 G205 | R201-G203 PolarHBondContact O-N 3.03Å; G203-G205 PolarHBondContact O-N 3.17Å | ||
| 204 | K | 48 | Very low | 63.2 | Low | 163 Ų | 163 | 103.8 Ų | 103.8 | 71% | 0.709 | 54% | 0.536 | S | S | * | . | trans | -74 | -0.8 | 162.9 | -149.3 | 77.6 | 176.4 | -171.7 | 0 | 111.3 | E202 N206 | E202-K204 PolarHBondContact O-N 2.88Å; K204-N206 PolarHBondContact O-N 2.84Å | ||
| 205 | G | 59.3 | Low | 65.4 | Low | 39 Ų | 39 | 96.1 Ų | 96.1 | 40% | 0.402 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | 74.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | G203 | G203-G205 PolarHBondContact O-N 3.17Š|
| 206 | N | 57.6 | Low | 67.7 | Low | 125 Ų | 125 | 96.1 Ų | 96.1 | 67% | 0.668 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.6 | -40.5 | 156.6 | 60.5 | -1.1 | 0 | 0 | 0 | 113.2 | K204 | K204-N206 PolarHBondContact O-N 2.84Š|
| 207 | T | 69.4 | Low | 69.9 | Low | 103 Ų | 103 | 89.9 Ų | 89.9 | 63% | 0.632 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.6 | -11.7 | -173.7 | 53.6 | 0 | 0 | 0 | 0 | 116.7 | Y209 | T207-Y209 PolarHBondContact O-N 2.83Š|
| 208 | T | 88.1 | Confident | 72 | Confident | 20 Ų | 20 | 80 Ų | 80 | 12% | 0.123 | 40% | 0.403 | C | S | . | . | trans | -57 | 133.7 | -177.8 | 58.6 | 0 | 0 | 0 | 0 | 112.5 | E212 W250 H253 K254 | T208-E212 WeakPolarHBondContact CA-OE2 3.47Å; T208-W250 WeakPolarHBondContact O-CH2 3.23Å; T208-H253 WeakPolarHBondContact CB-NE2 2.81Å; T208-H253 WeakPolarHBondContact CG2-NE2 3.36Å; T208-H253 PolarHBondContact OG1-CD2 3.1Å; T208-H253 PolarHBondContact OG1-NE2 3.29Å; T208-K254 PolarHBondContact O-NZ 2.98Å | ||
| 209 | Y | 93.6 | Very high | 74.2 | Confident | 124 Ų | 124 | 73.4 Ų | 73.4 | 49% | 0.486 | 38% | 0.375 | S | S | . | . | trans | -82.5 | 160.4 | 172.5 | -63.1 | -67.3 | 0 | 0 | 0 | 111.5 | T207 W211 E212 F213 W250 | T207-Y209 PolarHBondContact O-N 2.83Å; Y209-W211 VanDerWaalsContact C-N 3.34Å; Y209-W211 AromaticContact CD2-NE1 3.79Å; Y209-W211 AromaticContact CG-NE1 3.81Å; Y209-E212 PolarHBondContact N-OE2 2.83Å; Y209-E212 PolarHBondContact O-N 2.76Å; Y209-F213 PolarHBondContact O-N 2.94Å; Y209-W250 VanDerWaalsContact C-CH2 3.4Å; Y209-W250 WeakPolarHBondContact O-CH2 3.35Å | ||
| 210 | L | 94.4 | Very high | 76.2 | Confident | 1 Ų | 1 | 68.6 Ų | 68.6 | 1% | 0.005 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -67.4 | -36.2 | 179.6 | 170 | 67.7 | 0 | 0 | 0 | 111.5 | E212 F213 L214 W250 M264 A267 L268 Y271 | L210-E212 VanDerWaalsContact C-N 3.33Å; L210-E212 PolarHBondContact O-N 3.36Å; L210-F213 HydrophobicContact CD1-CD1 4.13Å; L210-F213 PolarHBondContact O-N 2.82Å; L210-L214 HydrophobicContact CD1-CD1 3.93Å; L210-L214 HydrophobicContact CD1-CD2 4.37Å; L210-L214 HydrophobicContact CD1-CG 3.9Å; L210-L214 HydrophobicContact CD2-CD1 4.36Å; L210-L214 HydrophobicContact CG-CD1 3.78Å; L210-L214 HydrophobicContact CG-CG 4.21Å; L210-L214 WeakPolarHBondContact O-CB 3.31Å; L210-L214 VanDerWaalsContact O-CG 3.22Å; L210-L214 WeakPolarHBondContact O-CG 3.16Å; L210-L214 PolarHBondContact O-N 2.9Å; L210-W250 VanDerWaalsContact CA-CH2 3.46Å; L210-W250 HydrophobicContact CB-CH2 4Å; L210-W250 HydrophobicContact CB-CZ2 3.59Å; L210-W250 HydrophobicContact CD1-CD2 3.8Å; L210-W250 HydrophobicContact CD1-CE3 4.35Å; L210-W250 HydrophobicContact CD1-CG 3.9Å; L210-W250 HydrophobicContact CD1-CZ2 4.25Å; L210-M264 HydrophobicContact CD1-CG 3.75Å; L210-M264 HydrophobicContact CD1-SD 3.72Å; L210-M264 HydrophobicContact CD2-CG 3.47Å; L210-M264 VanDerWaalsContact CD2-CG 3.47Å; L210-M264 HydrophobicContact CD2-SD 4.4Å; L210-M264 HydrophobicContact CG-CG 4.28Å; L210-A267 HydrophobicContact CD2-CB 3.69Å; L210-L268 HydrophobicContact CD2-CD2 3.93Å; L210-L268 HydrophobicContact CD2-CG 4.02Å; L210-Y271 HydrophobicContact CB-CE2 3.89Å; L210-Y271 HydrophobicContact CD2-CE2 4.23Å; L210-Y271 HydrophobicContact CG-CE2 4.24Å; L210-Y271 PolarHBondContact N-OH 3.48Å; L210-Y271 VanDerWaalsContact N-OH 3.13Å |
| 211 | W | 93.9 | Very high | 77.4 | Confident | 60 Ų | 60 | 69.8 Ų | 69.8 | 23% | 0.227 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66 | -35.8 | 179.7 | 72.2 | -94.1 | 0 | 0 | 0 | 112.3 | Y209 L215 Y271 I276 F289 P293 | Y209-W211 VanDerWaalsContact C-N 3.34Å; Y209-W211 AromaticContact CD2-NE1 3.79Å; Y209-W211 AromaticContact CG-NE1 3.81Å; W211-L215 PolarHBondContact O-N 3.39Å; W211-L215 VanDerWaalsContact O-N 3.08Å; W211-Y271 HydrophobicContact CB-CD2 4.23Å; W211-Y271 HydrophobicContact CB-CE2 3.87Å; W211-Y271 AromaticContact CD1-CE1 3.85Å; W211-Y271 AromaticContact CD1-CZ 3.72Å; W211-I276 HydrophobicContact CB-CG2 4.17Å; W211-I276 HydrophobicContact CD2-CG2 4.25Å; W211-I276 HydrophobicContact CG-CG2 3.97Å; W211-F289 HydrophobicContact CB-CE1 4.39Å; W211-F289 HydrophobicContact CE3-CE1 4.36Å; W211-P293 HydrophobicContact CZ3-CG 4.32Å |
| 212 | E | 92.6 | Very high | 78.2 | Confident | 58 Ų | 58 | 60.9 Ų | 60.9 | 27% | 0.271 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.3 | -51.9 | 173.4 | -61.8 | 168.5 | 157.5 | 0 | 0 | 110.2 | T208 Y209 L210 L214 L215 D216 | T208-E212 WeakPolarHBondContact CA-OE2 3.47Å; Y209-E212 PolarHBondContact N-OE2 2.83Å; Y209-E212 PolarHBondContact O-N 2.76Å; L210-E212 VanDerWaalsContact C-N 3.33Å; L210-E212 PolarHBondContact O-N 3.36Å; E212-L214 VanDerWaalsContact C-N 3.28Å; E212-L214 PolarHBondContact O-N 3.3Å; E212-L215 CarbonylContact O-C 3.51Å; E212-L215 WeakPolarHBondContact O-CA 3.28Å; E212-L215 WeakPolarHBondContact O-CB 3.31Å; E212-L215 PolarHBondContact O-N 3.08Å; E212-D216 PolarHBondContact O-N 3.07Å |
| 213 | F | 93.5 | Very high | 78.7 | Confident | 13 Ų | 13 | 55.3 Ų | 55.3 | 6% | 0.057 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.8 | -36.7 | 177.4 | 166.1 | -91.4 | 0 | 0 | 0 | 113.2 | Y209 L210 L217 V246 L249 W250 H253 | Y209-F213 PolarHBondContact O-N 2.94Å; L210-F213 HydrophobicContact CD1-CD1 4.13Å; L210-F213 PolarHBondContact O-N 2.82Å; F213-L217 HydrophobicContact CE1-CD2 4.19Å; F213-L217 HydrophobicContact CZ-CD2 4.28Å; F213-L217 VanDerWaalsContact O-CB 3.23Å; F213-L217 WeakPolarHBondContact O-CB 3.5Å; F213-L217 PolarHBondContact O-N 3.22Å; F213-V246 HydrophobicContact CE1-CG1 4.49Å; F213-L249 HydrophobicContact CE2-CG 4.23Å; F213-L249 HydrophobicContact CZ-CB 4.07Å; F213-L249 HydrophobicContact CZ-CD2 4.1Å; F213-L249 HydrophobicContact CZ-CG 3.83Å; F213-W250 HydrophobicContact CB-CE3 3.69Å; F213-W250 HydrophobicContact CB-CH2 4.4Å; F213-W250 HydrophobicContact CB-CZ3 3.44Å; F213-W250 VanDerWaalsContact CB-CZ3 3.44Å; F213-W250 HydrophobicContact CD1-CB 4.17Å; F213-W250 HydrophobicContact CD1-CD2 4.16Å; F213-W250 AromaticContact CD1-CE3 3.56Å; F213-W250 HydrophobicContact CD1-CE3 3.56Å; F213-W250 HydrophobicContact CD1-CG 4.45Å; F213-W250 HydrophobicContact CD1-CZ3 4.22Å; F213-W250 AromaticContact CD2-CE3 3.87Å; F213-W250 HydrophobicContact CD2-CE3 3.87Å; F213-W250 HydrophobicContact CD2-CZ3 4.28Å; F213-W250 HydrophobicContact CE1-CB 3.68Å; F213-W250 HydrophobicContact CE1-CE3 4.16Å; F213-W250 HydrophobicContact CE1-CG 4.42Å; F213-W250 HydrophobicContact CE2-CE3 4.42Å; F213-W250 HydrophobicContact CG-CD2 4.42Å; F213-W250 AromaticContact CG-CE3 3.4Å; F213-W250 HydrophobicContact CG-CE3 3.4Å; F213-W250 VanDerWaalsContact CG-CE3 3.4Å; F213-W250 AromaticContact CG-CZ3 3.73Å; F213-W250 HydrophobicContact CG-CZ3 3.73Å; F213-W250 HydrophobicContact CZ-CB 4.05Å; F213-H253 HydrophobicContact CD2-CB 4.14Å; F213-H253 AromaticContact CD2-CG 3.9Å; F213-H253 HydrophobicContact CE2-CB 3.97Å |
| 214 | L | 93.7 | Very high | 79.3 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.5 | -34.4 | 175.3 | -69.8 | 168.7 | 0 | 0 | 0 | 112 | L210 E212 L218 I228 V246 L268 | L210-L214 HydrophobicContact CD1-CD1 3.93Å; L210-L214 HydrophobicContact CD1-CD2 4.37Å; L210-L214 HydrophobicContact CD1-CG 3.9Å; L210-L214 HydrophobicContact CD2-CD1 4.36Å; L210-L214 HydrophobicContact CG-CD1 3.78Å; L210-L214 HydrophobicContact CG-CG 4.21Å; L210-L214 WeakPolarHBondContact O-CB 3.31Å; L210-L214 VanDerWaalsContact O-CG 3.22Å; L210-L214 WeakPolarHBondContact O-CG 3.16Å; L210-L214 PolarHBondContact O-N 2.9Å; E212-L214 VanDerWaalsContact C-N 3.28Å; E212-L214 PolarHBondContact O-N 3.3Å; L214-L218 VanDerWaalsContact O-CB 3.31Å; L214-L218 WeakPolarHBondContact O-CB 3.37Å; L214-L218 WeakPolarHBondContact O-CD1 3.4Å; L214-L218 VanDerWaalsContact O-CG 3.28Å; L214-L218 WeakPolarHBondContact O-CG 3.29Å; L214-L218 PolarHBondContact O-N 3.05Å; L214-L218 VanDerWaalsContact O-N 3.07Å; L214-I228 HydrophobicContact CB-CD1 4.37Å; L214-I228 HydrophobicContact CD2-CD1 3.67Å; L214-V246 HydrophobicContact CD2-CG1 3.65Å; L214-L268 HydrophobicContact CD1-CD2 3.75Å |
| 215 | L | 91.4 | Very high | 80.7 | Confident | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69.5 | -41.8 | 173.6 | -173.9 | 77.3 | 0 | 0 | 0 | 111.7 | W211 E212 L218 Q219 W230 F289 P293 | W211-L215 PolarHBondContact O-N 3.39Å; W211-L215 VanDerWaalsContact O-N 3.08Å; E212-L215 CarbonylContact O-C 3.51Å; E212-L215 WeakPolarHBondContact O-CA 3.28Å; E212-L215 WeakPolarHBondContact O-CB 3.31Å; E212-L215 PolarHBondContact O-N 3.08Å; L215-L218 CarbonylContact O-C 3.59Å; L215-L218 WeakPolarHBondContact O-CB 3.39Å; L215-L218 PolarHBondContact O-N 2.85Å; L215-Q219 WeakPolarHBondContact O-CG 3.22Å; L215-Q219 PolarHBondContact O-N 2.87Å; L215-Q219 PolarHBondContact O-NE2 3.25Å; L215-W230 HydrophobicContact CD1-CH2 4.19Å; L215-W230 HydrophobicContact CD1-CZ2 4.22Å; L215-F289 HydrophobicContact CB-CZ 4.23Å; L215-F289 HydrophobicContact CD1-CE2 4.22Å; L215-F289 HydrophobicContact CD1-CZ 4.22Å; L215-P293 HydrophobicContact CD1-CB 4.34Å; L215-P293 HydrophobicContact CD1-CG 4.08Å; L215-P293 HydrophobicContact CD2-CB 3.6Å; L215-P293 HydrophobicContact CD2-CG 3.84Å |
| 216 | D | 90.4 | Very high | 81.9 | Confident | 76 Ų | 76 | 50.5 Ų | 50.5 | 41% | 0.406 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.3 | -46 | 174.1 | -67.6 | -21.9 | 0 | 0 | 0 | 110.6 | E212 L218 Q219 D220 | E212-D216 PolarHBondContact O-N 3.07Å; D216-L218 PolarHBondContact O-N 3.33Å; D216-Q219 PolarHBondContact O-N 2.93Å; D216-D220 PolarHBondContact O-N 3.22Å; D216-D220 VanDerWaalsContact O-N 3.09Å |
| 217 | L | 90.9 | Very high | 83.4 | Confident | 5 Ų | 5 | 46.6 Ų | 46.6 | 3% | 0.026 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.2 | -26.5 | 176.4 | -166.3 | 64.4 | 0 | 0 | 0 | 113.2 | F213 T223 C224 I228 V246 L249 | F213-L217 HydrophobicContact CE1-CD2 4.19Å; F213-L217 HydrophobicContact CZ-CD2 4.28Å; F213-L217 VanDerWaalsContact O-CB 3.23Å; F213-L217 WeakPolarHBondContact O-CB 3.5Å; F213-L217 PolarHBondContact O-N 3.22Å; L217-T223 HydrophobicContact CD1-CG2 3.39Å; L217-T223 HydrophobicContact CG-CG2 4.42Å; L217-C224 PolarHBondContact O-SG 3.25Å; L217-C224 VanDerWaalsContact O-SG 3.39Å; L217-I228 HydrophobicContact CB-CG2 4.21Å; L217-I228 HydrophobicContact CD2-CB 4.4Å; L217-I228 HydrophobicContact CD2-CG2 3.93Å; L217-I228 HydrophobicContact CG-CG2 3.69Å; L217-V246 HydrophobicContact CD2-CG1 4.11Å; L217-V246 HydrophobicContact CD2-CG2 4.05Å; L217-L249 HydrophobicContact CD1-CD2 3.38Å; L217-L249 HydrophobicContact CD2-CD2 4.24Å; L217-L249 HydrophobicContact CG-CD2 4.47Å |
| 218 | L | 89.6 | Confident | 84.6 | Confident | 6 Ų | 6 | 41.7 Ų | 41.7 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -5.2 | 173.7 | -84.1 | 165.2 | 0 | 0 | 0 | 114.2 | L214 L215 D216 I228 K229 W230 F238 F289 | L214-L218 VanDerWaalsContact O-CB 3.31Å; L214-L218 WeakPolarHBondContact O-CB 3.37Å; L214-L218 WeakPolarHBondContact O-CD1 3.4Å; L214-L218 VanDerWaalsContact O-CG 3.28Å; L214-L218 WeakPolarHBondContact O-CG 3.29Å; L214-L218 PolarHBondContact O-N 3.05Å; L214-L218 VanDerWaalsContact O-N 3.07Å; L215-L218 CarbonylContact O-C 3.59Å; L215-L218 WeakPolarHBondContact O-CB 3.39Å; L215-L218 PolarHBondContact O-N 2.85Å; D216-L218 PolarHBondContact O-N 3.33Å; L218-I228 HydrophobicContact CD1-CD1 4Å; L218-I228 HydrophobicContact CD1-CG1 4.35Å; L218-I228 HydrophobicContact CD2-CB 4.43Å; L218-I228 HydrophobicContact CD2-CD1 4.43Å; L218-I228 HydrophobicContact CD2-CG1 3.95Å; L218-I228 HydrophobicContact CD2-CG2 3.9Å; L218-I228 HydrophobicContact CG-CD1 3.94Å; L218-I228 HydrophobicContact CG-CG1 4.01Å; L218-I228 HydrophobicContact CG-CG2 3.88Å; L218-K229 VanDerWaalsContact CD2-C 3.45Å; L218-W230 HydrophobicContact CB-CZ2 3.67Å; L218-W230 HydrophobicContact CD1-CH2 3.88Å; L218-W230 HydrophobicContact CD1-CZ2 3.79Å; L218-W230 HydrophobicContact CD1-CZ3 4.27Å; L218-W230 HydrophobicContact CD2-CD2 4.02Å; L218-W230 HydrophobicContact CD2-CG 4.09Å; L218-W230 HydrophobicContact CD2-CZ2 4.36Å; L218-W230 HydrophobicContact CG-CZ2 4.15Å; L218-W230 PolarHBondContact O-NE1 2.99Å; L218-F238 HydrophobicContact CD1-CB 3.64Å; L218-F238 HydrophobicContact CD1-CD1 4.12Å; L218-F238 HydrophobicContact CD1-CD2 3.91Å; L218-F238 HydrophobicContact CD1-CG 3.65Å; L218-F238 HydrophobicContact CD2-CB 4.09Å; L218-F289 HydrophobicContact CD1-CE2 4.2Å |
| 219 | Q | 85.9 | Confident | 84.8 | Confident | 34 Ų | 34 | 45.4 Ų | 45.4 | 16% | 0.159 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104 | -21.5 | 171.7 | -69.5 | 165.5 | 98.3 | 0 | 0 | 112.1 | L215 D216 K221 N295 I299 | L215-Q219 WeakPolarHBondContact O-CG 3.22Å; L215-Q219 PolarHBondContact O-N 2.87Å; L215-Q219 PolarHBondContact O-NE2 3.25Å; D216-Q219 PolarHBondContact O-N 2.93Å; Q219-K221 PolarHBondContact O-N 3.12Å; Q219-N295 PolarHBondContact OE1-O 3.29Å; Q219-I299 WeakPolarHBondContact O-CD1 3.34Å |
| 220 | D | 82 | Confident | 84.8 | Confident | 57 Ų | 57 | 41.2 Ų | 41.2 | 31% | 0.305 | 20% | 0.197 | S | C | . | . | trans | -67.9 | 92.1 | 170.7 | -87.4 | -28.1 | 0 | 0 | 0 | 110.7 | D216 N222 T223 C224 | D216-D220 PolarHBondContact O-N 3.22Å; D216-D220 VanDerWaalsContact O-N 3.09Å; D220-N222 PolarHBondContact O-N 2.87Å; D220-T223 PolarHBondContact O-N 2.97Å; D220-C224 PolarHBondContact O-N 3.17Å; D220-C224 VanDerWaalsContact O-N 3.08Å | ||
| 221 | K | 66.2 | Low | 84.7 | Confident | 129 Ų | 129 | 44 Ų | 44 | 56% | 0.561 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -38.8 | -39.8 | 172.5 | -64.9 | -149.6 | 179.4 | -147.3 | 0 | 113.4 | Q219 C224 I299 D300 | Q219-K221 PolarHBondContact O-N 3.12Å; K221-C224 VanDerWaalsContact O-O 3.08Å; K221-I299 HydrophobicContact CD-CG2 3.85Å; K221-I299 HydrophobicContact CG-CD1 3.85Å; K221-I299 HydrophobicContact CG-CG1 4.18Å; K221-I299 HydrophobicContact CG-CG2 3.79Å; K221-D300 PolarHBondContact NZ-O 3.47Å |
| 222 | N | 62.4 | Low | 84.5 | Confident | 52 Ų | 52 | 44.4 Ų | 44.4 | 28% | 0.278 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -43.7 | -174.3 | -55.6 | -35 | 0 | 0 | 0 | 111.4 | D220 C224 N347 C348 | D220-N222 PolarHBondContact O-N 2.87Å; N222-C224 CarbonylContact C-O 3.47Å; N222-N347 VanDerWaalsContact CA-OD1 3.23Å; N222-N347 WeakPolarHBondContact CA-OD1 3.35Å; N222-N347 HydrophobicContact CB-CB 4.38Å; N222-N347 WeakPolarHBondContact CB-OD1 3.04Å; N222-N347 PolarHBondContact O-ND2 3.15Å; N222-N347 PolarHBondContact O-OD1 3.09Å; N222-C348 HydrophobicContact CB-CB 3.95Å; N222-C348 VanDerWaalsContact OD1-CB 3.27Å; N222-C348 WeakPolarHBondContact OD1-CB 3.46Å; N222-C348 PolarHBondContact OD1-SG 3.34Å; N222-C348 VanDerWaalsContact OD1-SG 3.33Å |
| 223 | T | 61.8 | Low | 84.3 | Confident | 20 Ų | 20 | 45.4 Ų | 45.4 | 12% | 0.123 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -23.7 | -168.8 | -46.8 | 0 | 0 | 0 | 0 | 111.3 | L217 D220 Y227 L249 | L217-T223 HydrophobicContact CD1-CG2 3.39Å; L217-T223 HydrophobicContact CG-CG2 4.42Å; D220-T223 PolarHBondContact O-N 2.97Å; T223-Y227 HydrophobicContact CG2-CD2 3.46Å; T223-Y227 VanDerWaalsContact CG2-CD2 3.46Å; T223-Y227 HydrophobicContact CG2-CE2 3.97Å; T223-Y227 HydrophobicContact CG2-CG 4.49Å; T223-Y227 WeakPolarHBondContact O-CD2 3.42Å; T223-L249 HydrophobicContact CG2-CD2 4.4Å |
| 224 | C | 61 | Low | 84 | Confident | 21 Ų | 21 | 51 Ų | 51 | 14% | 0.142 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | 153.2 | 156 | -64.9 | 0 | 0 | 0 | 0 | 110.6 | L217 D220 K221 N222 I228 | L217-C224 PolarHBondContact O-SG 3.25Å; L217-C224 VanDerWaalsContact O-SG 3.39Å; D220-C224 PolarHBondContact O-N 3.17Å; D220-C224 VanDerWaalsContact O-N 3.08Å; K221-C224 VanDerWaalsContact O-O 3.08Å; N222-C224 CarbonylContact C-O 3.47Å; C224-I228 PolarHBondContact SG-O 2.93Å; C224-I228 VanDerWaalsContact SG-O 3.36Å |
| 225 | P | 76.6 | Confident | 83.9 | Confident | 80 Ų | 80 | 56.2 Ų | 56.2 | 52% | 0.519 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -89.1 | -0.1 | -8.6 | 36.2 | -35.4 | 0 | 0 | 0 | 113.8 | Y227 K229 V241 | P225-Y227 PolarHBondContact O-N 3.22Å; P225-K229 HydrophobicContact CB-CB 4.06Å; P225-K229 HydrophobicContact CB-CD 4.07Å; P225-V241 WeakPolarHBondContact O-CG2 3.32Å |
| 226 | R | 84.8 | Confident | 83.9 | Confident | 72 Ų | 72 | 56 Ų | 56 | 27% | 0.272 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -42.8 | -168.9 | -176.8 | 178.5 | -166.4 | -156.4 | 30 | 113.6 | V241 S343 S344 | R226-V241 WeakPolarHBondContact O-CB 3.41Å; R226-V241 VanDerWaalsContact O-CG1 3.28Å; R226-V241 WeakPolarHBondContact O-CG1 3.18Å; R226-S343 PolarHBondContact NE-OG 3.03Å; R226-S343 PolarHBondContact NH2-O 3.36Å; R226-S343 PolarHBondContact NH2-OG 3.08Å; R226-S344 WeakPolarHBondContact CD-O 3.31Å; R226-S344 PolarHBondContact NE-O 3.29Å; R226-S344 PolarHBondContact NH2-O 3.18Å; R226-S344 VanDerWaalsContact NH2-O 3.17Å |
| 227 | Y | 90.1 | Very high | 84.1 | Confident | 44 Ų | 44 | 53.3 Ų | 53.3 | 17% | 0.173 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -103.6 | -41.8 | -169.5 | -56.6 | -64.6 | 0 | 0 | 0 | 112.2 | T223 P225 V241 D242 A245 V246 | T223-Y227 HydrophobicContact CG2-CD2 3.46Å; T223-Y227 VanDerWaalsContact CG2-CD2 3.46Å; T223-Y227 HydrophobicContact CG2-CE2 3.97Å; T223-Y227 HydrophobicContact CG2-CG 4.49Å; T223-Y227 WeakPolarHBondContact O-CD2 3.42Å; P225-Y227 PolarHBondContact O-N 3.22Å; Y227-V241 PolarHBondContact O-N 2.86Å; Y227-D242 HydrophobicContact CD1-CB 4.38Å; Y227-D242 PolarHBondContact O-N 3.01Å; Y227-D242 VanDerWaalsContact O-N 3.16Å; Y227-A245 HydrophobicContact CD1-CB 3.36Å; Y227-A245 HydrophobicContact CE1-CB 3.48Å; Y227-A245 VanDerWaalsContact CE1-CB 3.48Å; Y227-A245 HydrophobicContact CG-CB 4.48Å; Y227-V246 VanDerWaalsContact O-CG2 3.27Å; Y227-V246 WeakPolarHBondContact O-CG2 3.27Å |
| 228 | I | 93.9 | Very high | 84.3 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 152.4 | 176.9 | -157.8 | 165.6 | 0 | 0 | 0 | 108 | L214 L217 L218 C224 F238 K239 L240 V246 | L214-I228 HydrophobicContact CB-CD1 4.37Å; L214-I228 HydrophobicContact CD2-CD1 3.67Å; L217-I228 HydrophobicContact CB-CG2 4.21Å; L217-I228 HydrophobicContact CD2-CB 4.4Å; L217-I228 HydrophobicContact CD2-CG2 3.93Å; L217-I228 HydrophobicContact CG-CG2 3.69Å; L218-I228 HydrophobicContact CD1-CD1 4Å; L218-I228 HydrophobicContact CD1-CG1 4.35Å; L218-I228 HydrophobicContact CD2-CB 4.43Å; L218-I228 HydrophobicContact CD2-CD1 4.43Å; L218-I228 HydrophobicContact CD2-CG1 3.95Å; L218-I228 HydrophobicContact CD2-CG2 3.9Å; L218-I228 HydrophobicContact CG-CD1 3.94Å; L218-I228 HydrophobicContact CG-CG1 4.01Å; L218-I228 HydrophobicContact CG-CG2 3.88Å; C224-I228 PolarHBondContact SG-O 2.93Å; C224-I228 VanDerWaalsContact SG-O 3.36Å; I228-F238 HydrophobicContact CD1-CD2 3.82Å; I228-F238 HydrophobicContact CD1-CE2 4.08Å; I228-F238 HydrophobicContact CG1-CD2 4.11Å; I228-K239 CarbonylContact C-O 3.59Å; I228-K239 WeakPolarHBondContact CA-O 3.47Å; I228-K239 WeakPolarHBondContact CG1-O 3.34Å; I228-L240 HydrophobicContact CD1-CD1 3.64Å; I228-L240 HydrophobicContact CD1-CG 4.18Å; I228-L240 HydrophobicContact CG1-CD1 3.96Å; I228-L240 HydrophobicContact CG1-CG 4.3Å; I228-V246 HydrophobicContact CB-CG2 4.44Å |
| 229 | K | 92.4 | Very high | 84.5 | Confident | 97 Ų | 97 | 56.7 Ų | 56.7 | 42% | 0.422 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 154.4 | 170.4 | 70 | 174.1 | -166.9 | 166.7 | 0 | 112.7 | L218 P225 F238 K239 V241 | L218-K229 VanDerWaalsContact CD2-C 3.45Å; P225-K229 HydrophobicContact CB-CB 4.06Å; P225-K229 HydrophobicContact CB-CD 4.07Å; K229-F238 CarbonylContact O-C 3.56Å; K229-F238 VanDerWaalsContact O-CA 3.31Å; K229-F238 WeakPolarHBondContact O-CA 3.47Å; K229-F238 WeakPolarHBondContact O-CB 3.36Å; K229-K239 PolarHBondContact N-O 3.14Å; K229-K239 PolarHBondContact O-N 2.83Å; K229-V241 HydrophobicContact CD-CG2 4.33Å; K229-V241 HydrophobicContact CG-CG2 3.97Å |
| 230 | W | 92.8 | Very high | 85 | Confident | 36 Ų | 36 | 55.1 Ų | 55.1 | 14% | 0.136 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 144.9 | 163.1 | -64.1 | 104.3 | 0 | 0 | 0 | 110.1 | L215 L218 R233 F238 F289 M292 I296 | L215-W230 HydrophobicContact CD1-CH2 4.19Å; L215-W230 HydrophobicContact CD1-CZ2 4.22Å; L218-W230 HydrophobicContact CB-CZ2 3.67Å; L218-W230 HydrophobicContact CD1-CH2 3.88Å; L218-W230 HydrophobicContact CD1-CZ2 3.79Å; L218-W230 HydrophobicContact CD1-CZ3 4.27Å; L218-W230 HydrophobicContact CD2-CD2 4.02Å; L218-W230 HydrophobicContact CD2-CG 4.09Å; L218-W230 HydrophobicContact CD2-CZ2 4.36Å; L218-W230 HydrophobicContact CG-CZ2 4.15Å; L218-W230 PolarHBondContact O-NE1 2.99Å; W230-R233 HydrophobicContact CB-CB 4.23Å; W230-R233 HydrophobicContact CD2-CB 4.48Å; W230-R233 HydrophobicContact CD2-CG 4.32Å; W230-R233 HydrophobicContact CG-CB 4.27Å; W230-R233 HydrophobicContact CG-CG 4.29Å; W230-F238 HydrophobicContact CE3-CB 4.02Å; W230-F238 HydrophobicContact CZ3-CB 4.19Å; W230-F238 HydrophobicContact CZ3-CD1 4.36Å; W230-F289 AromaticContact CH2-CD2 3.92Å; W230-F289 HydrophobicContact CH2-CD2 3.92Å; W230-F289 AromaticContact CH2-CE2 3.8Å; W230-F289 HydrophobicContact CH2-CE2 3.8Å; W230-F289 HydrophobicContact CZ3-CD2 4.06Å; W230-F289 HydrophobicContact CZ3-CE2 4.23Å; W230-M292 HydrophobicContact CH2-CE 3.7Å; W230-M292 HydrophobicContact CH2-SD 4.28Å; W230-M292 HydrophobicContact CZ2-CE 4.22Å; W230-M292 HydrophobicContact CZ3-CE 3.98Å; W230-M292 HydrophobicContact CZ3-SD 4.43Å; W230-I296 HydrophobicContact CH2-CD1 4.25Å; W230-I296 HydrophobicContact CZ2-CD1 3.5Å |
| 231 | T | 92.3 | Very high | 85.6 | Confident | 60 Ų | 60 | 55.2 Ų | 55.2 | 37% | 0.368 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | -37.5 | 173.5 | -57.7 | 0 | 0 | 0 | 0 | 110.5 | I237 | T231-I237 PolarHBondContact N-O 3.28Å |
| 232 | Q | 90.6 | Very high | 86.9 | Confident | 68 Ų | 68 | 51.6 Ų | 51.6 | 32% | 0.318 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 96.3 | 167.9 | -91 | 156.5 | 84.5 | 0 | 0 | 105.7 | E234 K235 G236 I237 | Q232-E234 VanDerWaalsContact C-N 3.33Å; Q232-E234 WeakPolarHBondContact CA-OE2 3.39Å; Q232-E234 VanDerWaalsContact CB-OE1 3.27Å; Q232-E234 WeakPolarHBondContact CB-OE1 3.43Å; Q232-E234 WeakPolarHBondContact CG-OE1 3.43Å; Q232-K235 HydrophobicContact CB-CB 4.27Å; Q232-K235 PolarHBondContact O-N 2.85Å; Q232-G236 PolarHBondContact O-N 3.47Å; Q232-I237 HydrophobicContact CB-CB 4.07Å; Q232-I237 HydrophobicContact CB-CD1 4.15Å; Q232-I237 HydrophobicContact CB-CG1 4.34Å; Q232-I237 PolarHBondContact N-O 3.16Å; Q232-I237 VanDerWaalsContact N-O 3.1Å; Q232-I237 PolarHBondContact O-N 3.31Å |
| 233 | R | 88 | Confident | 88.5 | Confident | 79 Ų | 79 | 50.2 Ų | 50.2 | 30% | 0.298 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -40.5 | -172.8 | -176.4 | -173.7 | -73.2 | 170.6 | -6 | 110.9 | W230 K235 G236 M292 I296 I299 | W230-R233 HydrophobicContact CB-CB 4.23Å; W230-R233 HydrophobicContact CD2-CB 4.48Å; W230-R233 HydrophobicContact CD2-CG 4.32Å; W230-R233 HydrophobicContact CG-CB 4.27Å; W230-R233 HydrophobicContact CG-CG 4.29Å; R233-K235 VanDerWaalsContact C-N 3.29Å; R233-K235 PolarHBondContact O-N 3.3Å; R233-G236 PolarHBondContact O-N 2.91Å; R233-G236 VanDerWaalsContact O-N 3.12Å; R233-M292 WeakPolarHBondContact O-CE 3.23Å; R233-I296 HydrophobicContact CG-CD1 4.06Å; R233-I299 PolarHBondContact NH1-O 3.46Å; R233-I299 PolarHBondContact NH2-O 3.45Å |
| 234 | E | 88 | Confident | 90.1 | Very high | 131 Ų | 131 | 56.9 Ų | 56.9 | 61% | 0.612 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -27 | 180 | 77.7 | -54.9 | 151 | 0 | 0 | 113.6 | Q232 | Q232-E234 VanDerWaalsContact C-N 3.33Å; Q232-E234 WeakPolarHBondContact CA-OE2 3.39Å; Q232-E234 VanDerWaalsContact CB-OE1 3.27Å; Q232-E234 WeakPolarHBondContact CB-OE1 3.43Å; Q232-E234 WeakPolarHBondContact CG-OE1 3.43Å |
| 235 | K | 90.1 | Very high | 91.7 | Very high | 110 Ų | 110 | 56.8 Ų | 56.8 | 48% | 0.478 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 5 | 173.8 | -64.2 | 172.3 | -153.9 | 164.4 | 0 | 113.3 | Q232 R233 I237 Q288 | Q232-K235 HydrophobicContact CB-CB 4.27Å; Q232-K235 PolarHBondContact O-N 2.85Å; R233-K235 VanDerWaalsContact C-N 3.29Å; R233-K235 PolarHBondContact O-N 3.3Å; K235-I237 VanDerWaalsContact C-N 3.26Å; K235-I237 HydrophobicContact CB-CD1 4.01Å; K235-I237 HydrophobicContact CB-CG1 3.96Å; K235-I237 HydrophobicContact CD-CD1 4.43Å; K235-I237 PolarHBondContact O-N 2.77Å; K235-Q288 VanDerWaalsContact O-CG 3.29Å; K235-Q288 WeakPolarHBondContact O-CG 3.37Å; K235-Q288 PolarHBondContact O-NE2 2.84Å |
| 236 | G | 91.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | 22 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q232 R233 Q288 F289 M292 | Q232-G236 PolarHBondContact O-N 3.47Å; R233-G236 PolarHBondContact O-N 2.91Å; R233-G236 VanDerWaalsContact O-N 3.12Å; G236-Q288 WeakPolarHBondContact O-CA 3.45Å; G236-F289 PolarHBondContact O-N 2.92Å; G236-M292 VanDerWaalsContact CA-SD 3.52Å |
| 237 | I | 94.1 | Very high | 93.2 | Very high | 18 Ų | 18 | 49.5 Ų | 49.5 | 9% | 0.092 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 125.1 | -178.6 | -52.9 | 175.3 | 0 | 0 | 0 | 110.2 | T231 Q232 K235 V280 V286 Y287 Q288 | T231-I237 PolarHBondContact N-O 3.28Å; Q232-I237 HydrophobicContact CB-CB 4.07Å; Q232-I237 HydrophobicContact CB-CD1 4.15Å; Q232-I237 HydrophobicContact CB-CG1 4.34Å; Q232-I237 PolarHBondContact N-O 3.16Å; Q232-I237 VanDerWaalsContact N-O 3.1Å; Q232-I237 PolarHBondContact O-N 3.31Å; K235-I237 VanDerWaalsContact C-N 3.26Å; K235-I237 HydrophobicContact CB-CD1 4.01Å; K235-I237 HydrophobicContact CB-CG1 3.96Å; K235-I237 HydrophobicContact CD-CD1 4.43Å; K235-I237 PolarHBondContact O-N 2.77Å; I237-V280 HydrophobicContact CG2-CG2 4.1Å; I237-V286 HydrophobicContact CG2-CG1 3.57Å; I237-Y287 CarbonylContact C-O 3.58Å; I237-Y287 WeakPolarHBondContact CA-O 3.19Å; I237-Q288 HydrophobicContact CG1-CB 4.03Å; I237-Q288 HydrophobicContact CG1-CG 3.73Å |
| 238 | F | 95 | Very high | 93.4 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 156.9 | 179.7 | 66.1 | -86.7 | 0 | 0 | 0 | 112.3 | L218 I228 K229 W230 L240 L277 V286 Y287 F289 | L218-F238 HydrophobicContact CD1-CB 3.64Å; L218-F238 HydrophobicContact CD1-CD1 4.12Å; L218-F238 HydrophobicContact CD1-CD2 3.91Å; L218-F238 HydrophobicContact CD1-CG 3.65Å; L218-F238 HydrophobicContact CD2-CB 4.09Å; I228-F238 HydrophobicContact CD1-CD2 3.82Å; I228-F238 HydrophobicContact CD1-CE2 4.08Å; I228-F238 HydrophobicContact CG1-CD2 4.11Å; K229-F238 CarbonylContact O-C 3.56Å; K229-F238 VanDerWaalsContact O-CA 3.31Å; K229-F238 WeakPolarHBondContact O-CA 3.47Å; K229-F238 WeakPolarHBondContact O-CB 3.36Å; W230-F238 HydrophobicContact CE3-CB 4.02Å; W230-F238 HydrophobicContact CZ3-CB 4.19Å; W230-F238 HydrophobicContact CZ3-CD1 4.36Å; F238-L240 HydrophobicContact CD2-CD1 3.9Å; F238-L240 HydrophobicContact CE2-CD1 3.68Å; F238-L277 HydrophobicContact CE1-CD2 3.84Å; F238-L277 HydrophobicContact CZ-CD1 4.44Å; F238-L277 HydrophobicContact CZ-CD2 4.02Å; F238-V286 WeakPolarHBondContact O-CA 3.45Å; F238-Y287 WeakPolarHBondContact CD1-O 3.36Å; F238-Y287 AromaticContact CE2-CD2 3.85Å; F238-Y287 HydrophobicContact CE2-CD2 3.85Å; F238-Y287 HydrophobicContact CE2-CG 4.4Å; F238-Y287 HydrophobicContact CZ-CD2 4.22Å; F238-Y287 HydrophobicContact CZ-CG 4.34Å; F238-Y287 PolarHBondContact N-O 2.95Å; F238-Y287 PolarHBondContact O-N 3.19Å; F238-F289 AromaticContact CD1-CD2 3.66Å; F238-F289 HydrophobicContact CD1-CD2 3.66Å; F238-F289 AromaticContact CD1-CE2 3.48Å; F238-F289 HydrophobicContact CD1-CE2 3.48Å; F238-F289 VanDerWaalsContact CD1-CE2 3.48Å; F238-F289 HydrophobicContact CD1-CZ 4.42Å; F238-F289 AromaticContact CE1-CD2 3.49Å; F238-F289 HydrophobicContact CE1-CD2 3.49Å; F238-F289 VanDerWaalsContact CE1-CD2 3.49Å; F238-F289 HydrophobicContact CE1-CE1 4.48Å; F238-F289 AromaticContact CE1-CE2 3.23Å; F238-F289 HydrophobicContact CE1-CE2 3.23Å; F238-F289 HydrophobicContact CE1-CG 4.23Å; F238-F289 AromaticContact CE1-CZ 3.79Å; F238-F289 HydrophobicContact CE1-CZ 3.79Å; F238-F289 HydrophobicContact CG-CE2 4.46Å; F238-F289 HydrophobicContact CZ-CE2 4.06Å; F238-F289 HydrophobicContact CZ-CZ 4.23Å |
| 239 | K | 94.9 | Very high | 93.4 | Very high | 82 Ų | 82 | 57.6 Ų | 57.6 | 36% | 0.357 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 129.2 | 179.1 | -176 | 165.8 | -172.6 | 173.5 | 0 | 110.4 | I228 K229 V241 L285 V286 | I228-K239 CarbonylContact C-O 3.59Å; I228-K239 WeakPolarHBondContact CA-O 3.47Å; I228-K239 WeakPolarHBondContact CG1-O 3.34Å; K229-K239 PolarHBondContact N-O 3.14Å; K229-K239 PolarHBondContact O-N 2.83Å; K239-V241 PolarHBondContact O-N 2.98Å; K239-L285 WeakPolarHBondContact CA-O 3.46Å; K239-V286 HydrophobicContact CB-CG2 3.96Å; K239-V286 HydrophobicContact CD-CG2 3.77Å; K239-V286 HydrophobicContact CG-CG2 3.74Å |
| 240 | L | 95.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 117.5 | 163.1 | -82.9 | 65.1 | 0 | 0 | 0 | 107.4 | I228 F238 V246 M264 L285 Y287 | I228-L240 HydrophobicContact CD1-CD1 3.64Å; I228-L240 HydrophobicContact CD1-CG 4.18Å; I228-L240 HydrophobicContact CG1-CD1 3.96Å; I228-L240 HydrophobicContact CG1-CG 4.3Å; F238-L240 HydrophobicContact CD2-CD1 3.9Å; F238-L240 HydrophobicContact CE2-CD1 3.68Å; L240-V246 HydrophobicContact CD2-CB 4.28Å; L240-V246 HydrophobicContact CD2-CG1 4.03Å; L240-V246 HydrophobicContact CG-CG1 4.38Å; L240-V246 HydrophobicContact CG-CG2 4.29Å; L240-M264 HydrophobicContact CD2-CE 3.82Å; L240-L285 HydrophobicContact CB-CB 4.19Å; L240-L285 PolarHBondContact N-O 2.94Å; L240-L285 WeakPolarHBondContact O-CB 3.31Å; L240-Y287 HydrophobicContact CD1-CD2 3.96Å; L240-Y287 HydrophobicContact CD1-CE2 3.96Å |
| 241 | V | 94.6 | Very high | 93.6 | Very high | 59 Ų | 59 | 52 Ų | 52 | 36% | 0.358 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -87 | -42.6 | -178.6 | 177.3 | 0 | 0 | 0 | 0 | 110.2 | P225 R226 Y227 K229 K239 | P225-V241 WeakPolarHBondContact O-CG2 3.32Å; R226-V241 WeakPolarHBondContact O-CB 3.41Å; R226-V241 VanDerWaalsContact O-CG1 3.28Å; R226-V241 WeakPolarHBondContact O-CG1 3.18Å; Y227-V241 PolarHBondContact O-N 2.86Å; K229-V241 HydrophobicContact CD-CG2 4.33Å; K229-V241 HydrophobicContact CG-CG2 3.97Å; K239-V241 PolarHBondContact O-N 2.98Å |
| 242 | D | 95 | Very high | 93.6 | Very high | 54 Ų | 54 | 57.3 Ų | 57.3 | 29% | 0.289 | 27% | 0.267 | S | S | . | . | trans | -123.1 | 97 | 165.1 | -178.3 | -5.4 | 0 | 0 | 0 | 110.4 | Y227 K244 A245 V246 | Y227-D242 HydrophobicContact CD1-CB 4.38Å; Y227-D242 PolarHBondContact O-N 3.01Å; Y227-D242 VanDerWaalsContact O-N 3.16Å; D242-K244 VanDerWaalsContact C-N 3.26Å; D242-K244 PolarHBondContact O-N 3.05Å; D242-K244 WeakPolarHBondContact OD1-CA 3.48Å; D242-K244 VanDerWaalsContact OD1-CB 3.32Å; D242-K244 WeakPolarHBondContact OD1-CB 3.45Å; D242-K244 PolarHBondContact OD1-N 3.32Å; D242-A245 HydrophobicContact CB-CB 4.06Å; D242-A245 PolarHBondContact O-N 2.85Å; D242-A245 PolarHBondContact OD1-N 2.91Å; D242-A245 WeakPolarHBondContact OD2-CB 3.43Å; D242-V246 WeakPolarHBondContact O-CG2 3.39Å; D242-V246 PolarHBondContact O-N 3.08Å | ||
| 243 | S | 95.5 | Very high | 93.7 | Very high | 22 Ų | 22 | 57.5 Ų | 57.5 | 15% | 0.154 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.5 | -25.7 | 177.4 | 60 | 0 | 0 | 0 | 0 | 113.9 | S247 | S243-S247 WeakPolarHBondContact O-CB 3.33Å; S243-S247 PolarHBondContact O-N 3.33Å; S243-S247 PolarHBondContact O-OG 3.27Å |
| 244 | K | 95.7 | Very high | 93.8 | Very high | 160 Ų | 160 | 57.6 Ų | 57.6 | 70% | 0.696 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -73.5 | -47 | 176.5 | -62 | -175.1 | 178.3 | -175.3 | 0 | 110.1 | D242 S247 K248 | D242-K244 VanDerWaalsContact C-N 3.26Å; D242-K244 PolarHBondContact O-N 3.05Å; D242-K244 WeakPolarHBondContact OD1-CA 3.48Å; D242-K244 VanDerWaalsContact OD1-CB 3.32Å; D242-K244 WeakPolarHBondContact OD1-CB 3.45Å; D242-K244 PolarHBondContact OD1-N 3.32Å; K244-S247 WeakPolarHBondContact O-CB 3.45Å; K244-S247 PolarHBondContact O-N 3.01Å; K244-K248 PolarHBondContact O-N 2.88Å |
| 245 | A | 94.6 | Very high | 94 | Very high | 19 Ų | 19 | 58.2 Ų | 58.2 | 16% | 0.157 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.9 | -39.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y227 D242 S247 K248 L249 | Y227-A245 HydrophobicContact CD1-CB 3.36Å; Y227-A245 HydrophobicContact CE1-CB 3.48Å; Y227-A245 VanDerWaalsContact CE1-CB 3.48Å; Y227-A245 HydrophobicContact CG-CB 4.48Å; D242-A245 HydrophobicContact CB-CB 4.06Å; D242-A245 PolarHBondContact O-N 2.85Å; D242-A245 PolarHBondContact OD1-N 2.91Å; D242-A245 WeakPolarHBondContact OD2-CB 3.43Å; A245-S247 VanDerWaalsContact C-N 3.26Å; A245-S247 PolarHBondContact O-N 3.02Å; A245-K248 PolarHBondContact O-N 3.38Å; A245-L249 WeakPolarHBondContact O-CB 3.39Å; A245-L249 PolarHBondContact O-N 3.48Å |
| 246 | V | 95.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.1 | -41.3 | 171.3 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | F213 L214 L217 Y227 I228 L240 D242 L249 W250 M264 | F213-V246 HydrophobicContact CE1-CG1 4.49Å; L214-V246 HydrophobicContact CD2-CG1 3.65Å; L217-V246 HydrophobicContact CD2-CG1 4.11Å; L217-V246 HydrophobicContact CD2-CG2 4.05Å; Y227-V246 VanDerWaalsContact O-CG2 3.27Å; Y227-V246 WeakPolarHBondContact O-CG2 3.27Å; I228-V246 HydrophobicContact CB-CG2 4.44Å; L240-V246 HydrophobicContact CD2-CB 4.28Å; L240-V246 HydrophobicContact CD2-CG1 4.03Å; L240-V246 HydrophobicContact CG-CG1 4.38Å; L240-V246 HydrophobicContact CG-CG2 4.29Å; D242-V246 WeakPolarHBondContact O-CG2 3.39Å; D242-V246 PolarHBondContact O-N 3.08Å; V246-L249 PolarHBondContact O-N 3.35Å; V246-W250 WeakPolarHBondContact O-CB 3.14Å; V246-W250 PolarHBondContact O-N 2.82Å; V246-M264 HydrophobicContact CG1-CE 3.95Å; V246-M264 HydrophobicContact CG1-SD 4.17Å |
| 247 | S | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.8 | -42.4 | 176.3 | -55.8 | 0 | 0 | 0 | 0 | 112.8 | S243 K244 A245 L249 W250 G251 M259 Y261 M264 | S243-S247 WeakPolarHBondContact O-CB 3.33Å; S243-S247 PolarHBondContact O-N 3.33Å; S243-S247 PolarHBondContact O-OG 3.27Å; K244-S247 WeakPolarHBondContact O-CB 3.45Å; K244-S247 PolarHBondContact O-N 3.01Å; A245-S247 VanDerWaalsContact C-N 3.26Å; A245-S247 PolarHBondContact O-N 3.02Å; S247-L249 VanDerWaalsContact C-N 3.34Å; S247-L249 PolarHBondContact O-N 3.22Å; S247-W250 PolarHBondContact O-N 3.34Å; S247-G251 PolarHBondContact O-N 2.6Å; S247-M259 CarbonylContact C-O 3.59Å; S247-M259 WeakPolarHBondContact O-CG 3.49Å; S247-Y261 WeakPolarHBondContact OG-CA 3.22Å; S247-Y261 WeakPolarHBondContact OG-CB 3.31Å; S247-Y261 PolarHBondContact OG-N 3.21Å; S247-Y261 VanDerWaalsContact OG-N 3.15Å; S247-M264 WeakPolarHBondContact OG-CE 3.47Å |
| 248 | K | 94.8 | Very high | 94.1 | Very high | 154 Ų | 154 | 69.5 Ų | 69.5 | 67% | 0.67 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -61.6 | -40.1 | 173.8 | -75.4 | -177 | 174.6 | -172.9 | 0 | 112 | K244 A245 G251 K252 | K244-K248 PolarHBondContact O-N 2.88Å; A245-K248 PolarHBondContact O-N 3.38Å; K248-G251 PolarHBondContact O-N 3.29Å; K248-K252 WeakPolarHBondContact O-CB 2.88Å; K248-K252 PolarHBondContact O-N 3.2Å |
| 249 | L | 94.3 | Very high | 94.1 | Very high | 59 Ų | 59 | 70.9 Ų | 70.9 | 31% | 0.309 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -70.1 | -40.1 | 179.3 | -170 | 64 | 0 | 0 | 0 | 111.6 | F213 L217 T223 A245 V246 S247 G251 K252 H253 | F213-L249 HydrophobicContact CE2-CG 4.23Å; F213-L249 HydrophobicContact CZ-CB 4.07Å; F213-L249 HydrophobicContact CZ-CD2 4.1Å; F213-L249 HydrophobicContact CZ-CG 3.83Å; L217-L249 HydrophobicContact CD1-CD2 3.38Å; L217-L249 HydrophobicContact CD2-CD2 4.24Å; L217-L249 HydrophobicContact CG-CD2 4.47Å; T223-L249 HydrophobicContact CG2-CD2 4.4Å; A245-L249 WeakPolarHBondContact O-CB 3.39Å; A245-L249 PolarHBondContact O-N 3.48Å; V246-L249 PolarHBondContact O-N 3.35Å; S247-L249 VanDerWaalsContact C-N 3.34Å; S247-L249 PolarHBondContact O-N 3.22Å; L249-G251 VanDerWaalsContact C-N 3.32Å; L249-G251 PolarHBondContact O-N 3.37Å; L249-K252 HydrophobicContact CD1-CD 4.46Å; L249-K252 WeakPolarHBondContact O-CB 3.38Å; L249-K252 PolarHBondContact O-N 3.22Å; L249-H253 WeakPolarHBondContact O-CB 3.45Å; L249-H253 PolarHBondContact O-N 3.29Å |
| 250 | W | 94.9 | Very high | 94.2 | Very high | 15 Ų | 15 | 70.2 Ų | 70.2 | 6% | 0.057 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.3 | -40.1 | 169.8 | 177 | -130.1 | 0 | 0 | 0 | 112.2 | T208 Y209 L210 F213 V246 S247 H253 K254 M259 M264 | T208-W250 WeakPolarHBondContact O-CH2 3.23Å; Y209-W250 VanDerWaalsContact C-CH2 3.4Å; Y209-W250 WeakPolarHBondContact O-CH2 3.35Å; L210-W250 VanDerWaalsContact CA-CH2 3.46Å; L210-W250 HydrophobicContact CB-CH2 4Å; L210-W250 HydrophobicContact CB-CZ2 3.59Å; L210-W250 HydrophobicContact CD1-CD2 3.8Å; L210-W250 HydrophobicContact CD1-CE3 4.35Å; L210-W250 HydrophobicContact CD1-CG 3.9Å; L210-W250 HydrophobicContact CD1-CZ2 4.25Å; F213-W250 HydrophobicContact CB-CE3 3.69Å; F213-W250 HydrophobicContact CB-CH2 4.4Å; F213-W250 HydrophobicContact CB-CZ3 3.44Å; F213-W250 VanDerWaalsContact CB-CZ3 3.44Å; F213-W250 HydrophobicContact CD1-CB 4.17Å; F213-W250 HydrophobicContact CD1-CD2 4.16Å; F213-W250 AromaticContact CD1-CE3 3.56Å; F213-W250 HydrophobicContact CD1-CE3 3.56Å; F213-W250 HydrophobicContact CD1-CG 4.45Å; F213-W250 HydrophobicContact CD1-CZ3 4.22Å; F213-W250 AromaticContact CD2-CE3 3.87Å; F213-W250 HydrophobicContact CD2-CE3 3.87Å; F213-W250 HydrophobicContact CD2-CZ3 4.28Å; F213-W250 HydrophobicContact CE1-CB 3.68Å; F213-W250 HydrophobicContact CE1-CE3 4.16Å; F213-W250 HydrophobicContact CE1-CG 4.42Å; F213-W250 HydrophobicContact CE2-CE3 4.42Å; F213-W250 HydrophobicContact CG-CD2 4.42Å; F213-W250 AromaticContact CG-CE3 3.4Å; F213-W250 HydrophobicContact CG-CE3 3.4Å; F213-W250 VanDerWaalsContact CG-CE3 3.4Å; F213-W250 AromaticContact CG-CZ3 3.73Å; F213-W250 HydrophobicContact CG-CZ3 3.73Å; F213-W250 HydrophobicContact CZ-CB 4.05Å; V246-W250 WeakPolarHBondContact O-CB 3.14Å; V246-W250 PolarHBondContact O-N 2.82Å; S247-W250 PolarHBondContact O-N 3.34Å; W250-H253 HydrophobicContact CE3-CB 4.43Å; W250-H253 AromaticContact CE3-CD2 3.99Å; W250-H253 AromaticContact CZ3-CD2 3.73Å; W250-H253 PolarHBondContact O-N 2.93Å; W250-K254 HydrophobicContact CD2-CD 4.3Å; W250-K254 HydrophobicContact CD2-CG 4.37Å; W250-K254 HydrophobicContact CE3-CD 4.23Å; W250-K254 HydrophobicContact CE3-CG 4.11Å; W250-K254 HydrophobicContact CH2-CD 3.33Å; W250-K254 HydrophobicContact CH2-CG 4.03Å; W250-K254 HydrophobicContact CZ2-CD 3.34Å; W250-K254 HydrophobicContact CZ2-CG 4.24Å; W250-K254 HydrophobicContact CZ3-CD 3.77Å; W250-K254 HydrophobicContact CZ3-CG 3.93Å; W250-K254 PolarHBondContact O-N 2.65Å; W250-M259 HydrophobicContact CB-CG 4.47Å; W250-M259 HydrophobicContact CG-CG 4.35Å; W250-M264 HydrophobicContact CB-SD 4.13Å; W250-M264 HydrophobicContact CG-SD 4.26Å |
| 251 | G | 94.6 | Very high | 94.3 | Very high | 1 Ų | 1 | 72.9 Ų | 72.9 | 1% | 0.01 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -58.4 | -50.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S247 K248 L249 H253 K254 N255 K256 | S247-G251 PolarHBondContact O-N 2.6Å; K248-G251 PolarHBondContact O-N 3.29Å; L249-G251 VanDerWaalsContact C-N 3.32Å; L249-G251 PolarHBondContact O-N 3.37Å; G251-H253 VanDerWaalsContact C-N 3.33Å; G251-H253 PolarHBondContact O-N 3.49Å; G251-K254 CarbonylContact O-C 3.4Å; G251-K254 PolarHBondContact O-N 2.9Å; G251-N255 CarbonylContact O-C 3.56Å; G251-N255 WeakPolarHBondContact O-CA 3.45Å; G251-N255 PolarHBondContact O-N 2.91Å; G251-K256 CarbonylContact C-O 3.44Å; G251-K256 WeakPolarHBondContact CA-O 3.48Å; G251-K256 PolarHBondContact O-N 3.39Å |
| 252 | K | 92.9 | Very high | 94.3 | Very high | 171 Ų | 171 | 74.2 Ų | 74.2 | 74% | 0.743 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -57.6 | -43.9 | 175.1 | -173.1 | 178.5 | 179.9 | -179.1 | 0 | 111.8 | K248 L249 K254 N255 | K248-K252 WeakPolarHBondContact O-CB 2.88Å; K248-K252 PolarHBondContact O-N 3.2Å; L249-K252 HydrophobicContact CD1-CD 4.46Å; L249-K252 WeakPolarHBondContact O-CB 3.38Å; L249-K252 PolarHBondContact O-N 3.22Å; K252-K254 PolarHBondContact O-N 3.47Å; K252-N255 PolarHBondContact O-N 3.47Å |
| 253 | H | 91.1 | Very high | 94.4 | Very high | 73 Ų | 73 | 75.2 Ų | 75.2 | 34% | 0.338 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.4 | -37.8 | 178 | -174.7 | 80.9 | 0 | 0 | 0 | 113.2 | T208 F213 L249 W250 G251 | T208-H253 WeakPolarHBondContact CB-NE2 2.81Å; T208-H253 WeakPolarHBondContact CG2-NE2 3.36Å; T208-H253 PolarHBondContact OG1-CD2 3.1Å; T208-H253 PolarHBondContact OG1-NE2 3.29Å; F213-H253 HydrophobicContact CD2-CB 4.14Å; F213-H253 AromaticContact CD2-CG 3.9Å; F213-H253 HydrophobicContact CE2-CB 3.97Å; L249-H253 WeakPolarHBondContact O-CB 3.45Å; L249-H253 PolarHBondContact O-N 3.29Å; W250-H253 HydrophobicContact CE3-CB 4.43Å; W250-H253 AromaticContact CE3-CD2 3.99Å; W250-H253 AromaticContact CZ3-CD2 3.73Å; W250-H253 PolarHBondContact O-N 2.93Å; G251-H253 VanDerWaalsContact C-N 3.33Å; G251-H253 PolarHBondContact O-N 3.49Å |
| 254 | K | 91.7 | Very high | 94.4 | Very high | 80 Ų | 80 | 74.3 Ų | 74.3 | 35% | 0.348 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 11.1 | 179 | -63.8 | -158.6 | 66.1 | 148 | 0 | 115.1 | T208 W250 G251 K252 K256 | T208-K254 PolarHBondContact O-NZ 2.98Å; W250-K254 HydrophobicContact CD2-CD 4.3Å; W250-K254 HydrophobicContact CD2-CG 4.37Å; W250-K254 HydrophobicContact CE3-CD 4.23Å; W250-K254 HydrophobicContact CE3-CG 4.11Å; W250-K254 HydrophobicContact CH2-CD 3.33Å; W250-K254 HydrophobicContact CH2-CG 4.03Å; W250-K254 HydrophobicContact CZ2-CD 3.34Å; W250-K254 HydrophobicContact CZ2-CG 4.24Å; W250-K254 HydrophobicContact CZ3-CD 3.77Å; W250-K254 HydrophobicContact CZ3-CG 3.93Å; W250-K254 PolarHBondContact O-N 2.65Å; G251-K254 CarbonylContact O-C 3.4Å; G251-K254 PolarHBondContact O-N 2.9Å; K252-K254 PolarHBondContact O-N 3.47Å; K254-K256 VanDerWaalsContact C-N 3.26Å; K254-K256 PolarHBondContact O-N 3Å |
| 255 | N | 92.3 | Very high | 94.4 | Very high | 144 Ų | 144 | 66.7 Ų | 66.7 | 77% | 0.77 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.2 | 46.1 | -173.2 | -159.3 | 53 | 0 | 0 | 0 | 113.4 | G251 K252 | G251-N255 CarbonylContact O-C 3.56Å; G251-N255 WeakPolarHBondContact O-CA 3.45Å; G251-N255 PolarHBondContact O-N 2.91Å; K252-N255 PolarHBondContact O-N 3.47Å |
| 256 | K | 92.9 | Very high | 94.5 | Very high | 127 Ų | 127 | 71.8 Ų | 71.8 | 55% | 0.552 | 35% | 0.347 | S | S | * | . | trans | -120.6 | 91.2 | 174.7 | -69.9 | -57.8 | -174.2 | -176 | 0 | 109.1 | G251 K254 D258 M259 | G251-K256 CarbonylContact C-O 3.44Å; G251-K256 WeakPolarHBondContact CA-O 3.48Å; G251-K256 PolarHBondContact O-N 3.39Å; K254-K256 VanDerWaalsContact C-N 3.26Å; K254-K256 PolarHBondContact O-N 3Å; K256-D258 VanDerWaalsContact C-N 3.27Å; K256-D258 PolarHBondContact O-N 2.63Å; K256-M259 HydrophobicContact CB-CB 4.46Å; K256-M259 HydrophobicContact CB-CE 4.16Å; K256-M259 VanDerWaalsContact O-CB 3.31Å; K256-M259 WeakPolarHBondContact O-CB 3.4Å; K256-M259 PolarHBondContact O-N 2.75Å | ||
| 257 | P | 90.3 | Very high | 94.5 | Very high | 107 Ų | 107 | 73.2 Ų | 73.2 | 70% | 0.695 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -34.5 | -175 | 24.6 | -32.4 | 0 | 0 | 0 | 112.4 | M259 | P257-M259 PolarHBondContact O-N 2.83Å; P257-M259 VanDerWaalsContact O-N 3.08Å |
| 258 | D | 93.1 | Very high | 94.5 | Very high | 132 Ų | 132 | 73.2 Ų | 73.2 | 71% | 0.706 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | 9.8 | -177.5 | -36.6 | -75.1 | 0 | 0 | 0 | 113.8 | K256 N260 | K256-D258 VanDerWaalsContact C-N 3.27Å; K256-D258 PolarHBondContact O-N 2.63Å; D258-N260 PolarHBondContact O-N 2.89Å; D258-N260 VanDerWaalsContact O-N 3.15Å; D258-N260 PolarHBondContact O-ND2 2.08Å |
| 259 | M | 96.3 | Very high | 94.6 | Very high | 28 Ų | 28 | 71.7 Ų | 71.7 | 14% | 0.138 | 35% | 0.349 | C | S | . | . | trans | -68.2 | 112.2 | -179.3 | -172.9 | 62.6 | 66 | 0 | 0 | 111.1 | S247 W250 K256 P257 T263 M264 | S247-M259 CarbonylContact C-O 3.59Å; S247-M259 WeakPolarHBondContact O-CG 3.49Å; W250-M259 HydrophobicContact CB-CG 4.47Å; W250-M259 HydrophobicContact CG-CG 4.35Å; K256-M259 HydrophobicContact CB-CB 4.46Å; K256-M259 HydrophobicContact CB-CE 4.16Å; K256-M259 VanDerWaalsContact O-CB 3.31Å; K256-M259 WeakPolarHBondContact O-CB 3.4Å; K256-M259 PolarHBondContact O-N 2.75Å; P257-M259 PolarHBondContact O-N 2.83Å; P257-M259 VanDerWaalsContact O-N 3.08Å; M259-T263 HydrophobicContact SD-CG2 4.09Å; M259-M264 HydrophobicContact SD-CB 4.21Å | ||
| 260 | N | 96.9 | Very high | 94.7 | Very high | 69 Ų | 69 | 76.1 Ų | 76.1 | 37% | 0.369 | 36% | 0.363 | S | S | . | . | trans | -119.6 | 169.3 | 178.8 | 65.2 | 72.7 | 0 | 0 | 0 | 111 | D258 E262 T263 M264 | D258-N260 PolarHBondContact O-N 2.89Å; D258-N260 VanDerWaalsContact O-N 3.15Å; D258-N260 PolarHBondContact O-ND2 2.08Å; N260-E262 VanDerWaalsContact C-N 3.31Å; N260-E262 PolarHBondContact O-N 2.64Å; N260-E262 WeakPolarHBondContact OD1-CA 3.41Å; N260-E262 WeakPolarHBondContact OD1-CB 3.47Å; N260-E262 PolarHBondContact OD1-N 3.32Å; N260-T263 PolarHBondContact ND2-OG1 3.15Å; N260-T263 VanDerWaalsContact ND2-OG1 3.16Å; N260-T263 PolarHBondContact O-N 3.44Å; N260-T263 PolarHBondContact OD1-N 2.94Å; N260-T263 PolarHBondContact OD1-OG1 2.91Å; N260-M264 WeakPolarHBondContact O-CB 3.2Å; N260-M264 PolarHBondContact O-N 2.95Å | ||
| 261 | Y | 96.9 | Very high | 94.7 | Very high | 56 Ų | 56 | 76.1 Ų | 76.1 | 22% | 0.22 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.3 | -28.6 | -177 | 174 | -100.4 | 0 | 0 | 0 | 113.5 | S247 M264 G265 L268 L285 Y287 | S247-Y261 WeakPolarHBondContact OG-CA 3.22Å; S247-Y261 WeakPolarHBondContact OG-CB 3.31Å; S247-Y261 PolarHBondContact OG-N 3.21Å; S247-Y261 VanDerWaalsContact OG-N 3.15Å; Y261-M264 HydrophobicContact CD2-CE 3.96Å; Y261-G265 VanDerWaalsContact O-CA 3.29Å; Y261-G265 WeakPolarHBondContact O-CA 3.47Å; Y261-G265 PolarHBondContact O-N 2.74Å; Y261-L268 HydrophobicContact CE2-CD1 4.33Å; Y261-L285 HydrophobicContact CE1-CD2 4.19Å; Y261-L285 HydrophobicContact CE2-CD2 3.75Å; Y261-L285 WeakPolarHBondContact OH-CD2 3.38Å; Y261-Y287 PolarHBondContact OH-OH 3.01Å |
| 262 | E | 95.9 | Very high | 94.8 | Very high | 87 Ų | 87 | 79 Ų | 79 | 41% | 0.407 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -70.3 | -37 | 176.8 | -82.1 | -56.1 | 117.9 | 0 | 0 | 112.5 | N260 R266 R269 | N260-E262 VanDerWaalsContact C-N 3.31Å; N260-E262 PolarHBondContact O-N 2.64Å; N260-E262 WeakPolarHBondContact OD1-CA 3.41Å; N260-E262 WeakPolarHBondContact OD1-CB 3.47Å; N260-E262 PolarHBondContact OD1-N 3.32Å; E262-R266 WeakPolarHBondContact O-CG 3.33Å; E262-R266 PolarHBondContact O-NE 3.49Å; E262-R266 IonicContact OE2-CZ 3.94Å; E262-R266 IonicContact OE2-NE 3.97Å; E262-R266 IonicContact OE2-NH2 3.03Å; E262-R266 PolarHBondContact OE2-NH2 2.97Å; E262-R269 IonicContact OE1-NH2 3.62Å; E262-R269 IonicContact OE2-NH2 2.64Å |
| 263 | T | 95.6 | Very high | 94.8 | Very high | 76 Ų | 76 | 79.3 Ų | 79.3 | 47% | 0.466 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -71.2 | -50.3 | 173.1 | -54.8 | 0 | 0 | 0 | 0 | 111.3 | M259 N260 G265 R266 | M259-T263 HydrophobicContact SD-CG2 4.09Å; N260-T263 PolarHBondContact ND2-OG1 3.15Å; N260-T263 VanDerWaalsContact ND2-OG1 3.16Å; N260-T263 PolarHBondContact O-N 3.44Å; N260-T263 PolarHBondContact OD1-N 2.94Å; N260-T263 PolarHBondContact OD1-OG1 2.91Å; T263-G265 VanDerWaalsContact C-N 3.27Å; T263-G265 PolarHBondContact O-N 3.37Å; T263-R266 WeakPolarHBondContact O-CB 3.15Å; T263-R266 PolarHBondContact O-N 2.94Å; T263-R266 VanDerWaalsContact O-N 3.14Å |
| 264 | M | 96.1 | Very high | 94.9 | Very high | 2 Ų | 2 | 83.1 Ų | 83.1 | 1% | 0.01 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61 | -37.6 | 177.2 | -172 | -178.6 | 74.7 | 0 | 0 | 111.7 | L210 L240 V246 S247 W250 M259 N260 Y261 R266 A267 L268 | L210-M264 HydrophobicContact CD1-CG 3.75Å; L210-M264 HydrophobicContact CD1-SD 3.72Å; L210-M264 HydrophobicContact CD2-CG 3.47Å; L210-M264 VanDerWaalsContact CD2-CG 3.47Å; L210-M264 HydrophobicContact CD2-SD 4.4Å; L210-M264 HydrophobicContact CG-CG 4.28Å; L240-M264 HydrophobicContact CD2-CE 3.82Å; V246-M264 HydrophobicContact CG1-CE 3.95Å; V246-M264 HydrophobicContact CG1-SD 4.17Å; S247-M264 WeakPolarHBondContact OG-CE 3.47Å; W250-M264 HydrophobicContact CB-SD 4.13Å; W250-M264 HydrophobicContact CG-SD 4.26Å; M259-M264 HydrophobicContact SD-CB 4.21Å; N260-M264 WeakPolarHBondContact O-CB 3.2Å; N260-M264 PolarHBondContact O-N 2.95Å; Y261-M264 HydrophobicContact CD2-CE 3.96Å; M264-R266 PolarHBondContact O-N 2.86Å; M264-A267 WeakPolarHBondContact O-CB 3.42Å; M264-A267 PolarHBondContact O-N 2.86Å; M264-L268 PolarHBondContact O-N 3.42Å |
| 265 | G | 96.4 | Very high | 95 | Very high | 1 Ų | 1 | 80.9 Ų | 80.9 | 1% | 0.01 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.7 | -20.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y261 T263 R269 | Y261-G265 VanDerWaalsContact O-CA 3.29Å; Y261-G265 WeakPolarHBondContact O-CA 3.47Å; Y261-G265 PolarHBondContact O-N 2.74Å; T263-G265 VanDerWaalsContact C-N 3.27Å; T263-G265 PolarHBondContact O-N 3.37Å; G265-R269 VanDerWaalsContact O-CG 3.25Å; G265-R269 WeakPolarHBondContact O-CG 3.47Å; G265-R269 PolarHBondContact O-N 3.02Å |
| 266 | R | 96.4 | Very high | 95.1 | Very high | 126 Ų | 126 | 75.9 Ų | 75.9 | 48% | 0.475 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.5 | -42.5 | 169.7 | -50.1 | -52.7 | 158.8 | 113.6 | -11.6 | 110.9 | E262 T263 M264 R269 Y270 | E262-R266 WeakPolarHBondContact O-CG 3.33Å; E262-R266 PolarHBondContact O-NE 3.49Å; E262-R266 IonicContact OE2-CZ 3.94Å; E262-R266 IonicContact OE2-NE 3.97Å; E262-R266 IonicContact OE2-NH2 3.03Å; E262-R266 PolarHBondContact OE2-NH2 2.97Å; T263-R266 WeakPolarHBondContact O-CB 3.15Å; T263-R266 PolarHBondContact O-N 2.94Å; T263-R266 VanDerWaalsContact O-N 3.14Å; M264-R266 PolarHBondContact O-N 2.86Å; R266-R269 PolarHBondContact O-N 3.32Å; R266-Y270 HydrophobicContact CB-CE2 4.29Å; R266-Y270 WeakPolarHBondContact O-CD2 3.49Å; R266-Y270 PolarHBondContact O-N 2.81Å |
| 267 | A | 95.6 | Very high | 95.2 | Very high | 29 Ų | 29 | 69.9 Ų | 69.9 | 24% | 0.24 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.3 | -41.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L210 M264 R269 Y270 Y271 | L210-A267 HydrophobicContact CD2-CB 3.69Å; M264-A267 WeakPolarHBondContact O-CB 3.42Å; M264-A267 PolarHBondContact O-N 2.86Å; A267-R269 PolarHBondContact O-N 3.03Å; A267-Y270 PolarHBondContact O-N 2.93Å; A267-Y271 HydrophobicContact CB-CE2 4.44Å; A267-Y271 VanDerWaalsContact O-CD2 3.25Å; A267-Y271 WeakPolarHBondContact O-CD2 3.29Å; A267-Y271 VanDerWaalsContact O-CG 3.31Å; A267-Y271 PolarHBondContact O-N 3.25Å |
| 268 | L | 96.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.8 | -46.9 | 171.7 | -65.1 | 177.5 | 0 | 0 | 0 | 112 | L210 L214 Y261 M264 Y270 Y271 Y272 L277 Y287 | L210-L268 HydrophobicContact CD2-CD2 3.93Å; L210-L268 HydrophobicContact CD2-CG 4.02Å; L214-L268 HydrophobicContact CD1-CD2 3.75Å; Y261-L268 HydrophobicContact CE2-CD1 4.33Å; M264-L268 PolarHBondContact O-N 3.42Å; L268-Y270 PolarHBondContact O-N 3.42Å; L268-Y271 HydrophobicContact CD2-CD2 4.45Å; L268-Y271 WeakPolarHBondContact O-CB 3.25Å; L268-Y271 PolarHBondContact O-N 3.35Å; L268-Y272 VanDerWaalsContact O-CD1 3.29Å; L268-Y272 WeakPolarHBondContact O-CD1 3.43Å; L268-Y272 VanDerWaalsContact O-CE1 3.23Å; L268-Y272 WeakPolarHBondContact O-CE1 3.03Å; L268-Y272 PolarHBondContact O-N 3.23Å; L268-L277 HydrophobicContact CD2-CD1 3.67Å; L268-Y287 HydrophobicContact CD1-CE2 3.92Å |
| 269 | R | 95.8 | Very high | 95.6 | Very high | 123 Ų | 123 | 64.1 Ų | 64.1 | 46% | 0.464 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.7 | -40.4 | 176.7 | -68.8 | 170.7 | -155.4 | -176.5 | 10.9 | 112.4 | E262 G265 R266 A267 Y271 Y272 | E262-R269 IonicContact OE1-NH2 3.62Å; E262-R269 IonicContact OE2-NH2 2.64Å; G265-R269 VanDerWaalsContact O-CG 3.25Å; G265-R269 WeakPolarHBondContact O-CG 3.47Å; G265-R269 PolarHBondContact O-N 3.02Å; R266-R269 PolarHBondContact O-N 3.32Å; A267-R269 PolarHBondContact O-N 3.03Å; R269-Y271 VanDerWaalsContact C-N 3.29Å; R269-Y271 PolarHBondContact O-N 3.05Å; R269-Y272 HydrophobicContact CB-CD2 4.49Å; R269-Y272 HydrophobicContact CB-CE2 4.27Å; R269-Y272 HydrophobicContact CG-CE2 3.95Å; R269-Y272 PolarHBondContact O-N 3.27Å |
| 270 | Y | 96.5 | Very high | 95.6 | Very high | 152 Ų | 152 | 64.1 Ų | 64.1 | 60% | 0.596 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -64.2 | -30.9 | 173.5 | -68.9 | -56.5 | 0 | 0 | 0 | 113 | R266 A267 L268 Y272 Q273 R274 | R266-Y270 HydrophobicContact CB-CE2 4.29Å; R266-Y270 WeakPolarHBondContact O-CD2 3.49Å; R266-Y270 PolarHBondContact O-N 2.81Å; A267-Y270 PolarHBondContact O-N 2.93Å; L268-Y270 PolarHBondContact O-N 3.42Å; Y270-Y272 VanDerWaalsContact C-N 3.3Å; Y270-Y272 PolarHBondContact O-N 3.06Å; Y270-Q273 PolarHBondContact O-N 3.45Å; Y270-R274 WeakPolarHBondContact O-CB 3.41Å; Y270-R274 WeakPolarHBondContact O-CG 3.25Å; Y270-R274 PolarHBondContact O-N 3.41Å |
| 271 | Y | 95.9 | Very high | 95.4 | Very high | 15 Ų | 15 | 67.7 Ų | 67.7 | 6% | 0.059 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -70.6 | -21.9 | 176.3 | -62.6 | -36.7 | 0 | 0 | 0 | 114 | L210 W211 A267 L268 R269 G275 I276 L277 | L210-Y271 HydrophobicContact CB-CE2 3.89Å; L210-Y271 HydrophobicContact CD2-CE2 4.23Å; L210-Y271 HydrophobicContact CG-CE2 4.24Å; L210-Y271 PolarHBondContact N-OH 3.48Å; L210-Y271 VanDerWaalsContact N-OH 3.13Å; W211-Y271 HydrophobicContact CB-CD2 4.23Å; W211-Y271 HydrophobicContact CB-CE2 3.87Å; W211-Y271 AromaticContact CD1-CE1 3.85Å; W211-Y271 AromaticContact CD1-CZ 3.72Å; A267-Y271 HydrophobicContact CB-CE2 4.44Å; A267-Y271 VanDerWaalsContact O-CD2 3.25Å; A267-Y271 WeakPolarHBondContact O-CD2 3.29Å; A267-Y271 VanDerWaalsContact O-CG 3.31Å; A267-Y271 PolarHBondContact O-N 3.25Å; L268-Y271 HydrophobicContact CD2-CD2 4.45Å; L268-Y271 WeakPolarHBondContact O-CB 3.25Å; L268-Y271 PolarHBondContact O-N 3.35Å; R269-Y271 VanDerWaalsContact C-N 3.29Å; R269-Y271 PolarHBondContact O-N 3.05Å; Y271-G275 PolarHBondContact O-N 3.24Å; Y271-I276 HydrophobicContact CD1-CB 4.45Å; Y271-I276 HydrophobicContact CD1-CD1 4.01Å; Y271-I276 HydrophobicContact CE1-CD1 4.41Å; Y271-I276 PolarHBondContact O-N 3.42Å; Y271-L277 HydrophobicContact CD2-CD1 3.89Å; Y271-L277 HydrophobicContact CD2-CG 4.43Å; Y271-L277 HydrophobicContact CG-CD1 4.39Å; Y271-L277 PolarHBondContact O-N 3.06Å; Y271-L277 VanDerWaalsContact O-N 3.1Å |
| 272 | Y | 94.9 | Very high | 95.2 | Very high | 61 Ų | 61 | 69.1 Ų | 69.1 | 24% | 0.239 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.4 | -51.3 | 171.7 | -47.1 | -25.7 | 0 | 0 | 0 | 111.1 | L268 R269 Y270 R274 G275 L277 K279 Y287 | L268-Y272 VanDerWaalsContact O-CD1 3.29Å; L268-Y272 WeakPolarHBondContact O-CD1 3.43Å; L268-Y272 VanDerWaalsContact O-CE1 3.23Å; L268-Y272 WeakPolarHBondContact O-CE1 3.03Å; L268-Y272 PolarHBondContact O-N 3.23Å; R269-Y272 HydrophobicContact CB-CD2 4.49Å; R269-Y272 HydrophobicContact CB-CE2 4.27Å; R269-Y272 HydrophobicContact CG-CE2 3.95Å; R269-Y272 PolarHBondContact O-N 3.27Å; Y270-Y272 VanDerWaalsContact C-N 3.3Å; Y270-Y272 PolarHBondContact O-N 3.06Å; Y272-R274 VanDerWaalsContact C-N 3.32Å; Y272-R274 PolarHBondContact O-N 3.25Å; Y272-G275 PolarHBondContact O-N 3.38Å; Y272-L277 WeakPolarHBondContact CA-O 3.29Å; Y272-L277 HydrophobicContact CD1-CB 4.13Å; Y272-L277 HydrophobicContact CE1-CB 4.41Å; Y272-K279 HydrophobicContact CD1-CB 4.42Å; Y272-K279 HydrophobicContact CD2-CB 4.33Å; Y272-K279 HydrophobicContact CE1-CB 4.09Å; Y272-K279 HydrophobicContact CE2-CB 3.99Å; Y272-Y287 HydrophobicContact CE1-CD1 4.04Å; Y272-Y287 HydrophobicContact CE1-CE1 4.36Å; Y272-Y287 WeakPolarHBondContact OH-CE1 3.47Å |
| 273 | Q | 93.8 | Very high | 95.1 | Very high | 177 Ų | 177 | 69.6 Ų | 69.6 | 83% | 0.827 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -66.8 | -34.2 | 179.7 | -170 | -179.9 | 16.3 | 0 | 0 | 112 | Y270 G275 | Y270-Q273 PolarHBondContact O-N 3.45Å; Q273-G275 PolarHBondContact O-N 3.05Å |
| 274 | R | 93.5 | Very high | 95.1 | Very high | 154 Ų | 154 | 76.8 Ų | 76.8 | 58% | 0.581 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -5.3 | 172.9 | -71.8 | -173.9 | 64.4 | -166.9 | -3.4 | 114.3 | Y270 Y272 I276 | Y270-R274 WeakPolarHBondContact O-CB 3.41Å; Y270-R274 WeakPolarHBondContact O-CG 3.25Å; Y270-R274 PolarHBondContact O-N 3.41Å; Y272-R274 VanDerWaalsContact C-N 3.32Å; Y272-R274 PolarHBondContact O-N 3.25Å; R274-I276 HydrophobicContact CB-CD1 4.25Å; R274-I276 HydrophobicContact CB-CG1 4.27Å; R274-I276 PolarHBondContact O-N 3.47Å |
| 275 | G | 94.4 | Very high | 95.1 | Very high | 32 Ų | 32 | 78.7 Ų | 78.7 | 33% | 0.33 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | 21.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115 | Y271 Y272 Q273 K290 | Y271-G275 PolarHBondContact O-N 3.24Å; Y272-G275 PolarHBondContact O-N 3.38Å; Q273-G275 PolarHBondContact O-N 3.05Å; G275-K290 VanDerWaalsContact O-CB 3.31Å; G275-K290 WeakPolarHBondContact O-CB 3.42Å; G275-K290 WeakPolarHBondContact O-CD 3.39Å |
| 276 | I | 93.7 | Very high | 95.1 | Very high | 40 Ų | 40 | 78.7 Ų | 78.7 | 21% | 0.205 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -86.9 | -41.1 | 175.4 | -63 | 172.9 | 0 | 0 | 0 | 109.6 | W211 Y271 R274 K290 | W211-I276 HydrophobicContact CB-CG2 4.17Å; W211-I276 HydrophobicContact CD2-CG2 4.25Å; W211-I276 HydrophobicContact CG-CG2 3.97Å; Y271-I276 HydrophobicContact CD1-CB 4.45Å; Y271-I276 HydrophobicContact CD1-CD1 4.01Å; Y271-I276 HydrophobicContact CE1-CD1 4.41Å; Y271-I276 PolarHBondContact O-N 3.42Å; R274-I276 HydrophobicContact CB-CD1 4.25Å; R274-I276 HydrophobicContact CB-CG1 4.27Å; R274-I276 PolarHBondContact O-N 3.47Å; I276-K290 PolarHBondContact O-N 3.38Å |
| 277 | L | 95.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 161 | 172.6 | -65.3 | 179.9 | 0 | 0 | 0 | 110.6 | F238 L268 Y271 Y272 Q288 F289 K290 | F238-L277 HydrophobicContact CE1-CD2 3.84Å; F238-L277 HydrophobicContact CZ-CD1 4.44Å; F238-L277 HydrophobicContact CZ-CD2 4.02Å; L268-L277 HydrophobicContact CD2-CD1 3.67Å; Y271-L277 HydrophobicContact CD2-CD1 3.89Å; Y271-L277 HydrophobicContact CD2-CG 4.43Å; Y271-L277 HydrophobicContact CG-CD1 4.39Å; Y271-L277 PolarHBondContact O-N 3.06Å; Y271-L277 VanDerWaalsContact O-N 3.1Å; Y272-L277 WeakPolarHBondContact CA-O 3.29Å; Y272-L277 HydrophobicContact CD1-CB 4.13Å; Y272-L277 HydrophobicContact CE1-CB 4.41Å; L277-Q288 CarbonylContact C-O 3.58Å; L277-Q288 WeakPolarHBondContact CA-O 3.4Å; L277-F289 HydrophobicContact CD2-CD1 3.56Å; L277-F289 HydrophobicContact CD2-CE1 3.78Å; L277-F289 HydrophobicContact CD2-CG 3.98Å; L277-F289 HydrophobicContact CD2-CZ 4.38Å; L277-K290 WeakPolarHBondContact O-CE 3.47Å |
| 278 | A | 96 | Very high | 95.1 | Very high | 24 Ų | 24 | 74.9 Ų | 74.9 | 20% | 0.198 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 147.6 | 156.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y287 Q288 K290 | A278-Y287 WeakPolarHBondContact O-CA 3.32Å; A278-Q288 HydrophobicContact CB-CB 4.35Å; A278-Q288 PolarHBondContact N-O 3Å; A278-Q288 PolarHBondContact O-N 3.37Å; A278-K290 HydrophobicContact CB-CG 4.25Å |
| 279 | K | 95.2 | Very high | 95 | Very high | 95 Ų | 95 | 75.2 Ų | 75.2 | 41% | 0.413 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 128.3 | 165.5 | 169 | -177.7 | 166.4 | -67.5 | 0 | 107.4 | Y272 E281 | Y272-K279 HydrophobicContact CD1-CB 4.42Å; Y272-K279 HydrophobicContact CD2-CB 4.33Å; Y272-K279 HydrophobicContact CE1-CB 4.09Å; Y272-K279 HydrophobicContact CE2-CB 3.99Å; K279-E281 IonicContact NZ-OE1 3.53Å; K279-E281 PolarHBondContact NZ-OE1 3.4Å; K279-E281 IonicContact NZ-OE2 2.6Å; K279-E281 PolarHBondContact NZ-OE2 3.46Å; K279-E281 PolarHBondContact O-N 3.46Å |
| 280 | V | 95.3 | Very high | 94.7 | Very high | 28 Ų | 28 | 75.5 Ų | 75.5 | 17% | 0.17 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 124.7 | 167.9 | 179 | 0 | 0 | 0 | 0 | 107.8 | I237 Q283 V286 Q288 | I237-V280 HydrophobicContact CG2-CG2 4.1Å; V280-Q283 HydrophobicContact CG1-CB 4.16Å; V280-Q283 HydrophobicContact CG1-CG 4.26Å; V280-V286 HydrophobicContact CB-CB 4.18Å; V280-V286 HydrophobicContact CB-CG1 3.91Å; V280-V286 HydrophobicContact CG1-CG1 4.3Å; V280-V286 HydrophobicContact CG2-CG1 3.8Å; V280-V286 PolarHBondContact N-O 3.05Å; V280-Q288 HydrophobicContact CG2-CB 4.32Å |
| 281 | E | 93.2 | Very high | 94.2 | Very high | 144 Ų | 144 | 74.3 Ų | 74.3 | 67% | 0.673 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -69.8 | 153.9 | 176.8 | -64 | -71.9 | 121.1 | 0 | 0 | 110.3 | K279 Q283 | K279-E281 IonicContact NZ-OE1 3.53Å; K279-E281 PolarHBondContact NZ-OE1 3.4Å; K279-E281 IonicContact NZ-OE2 2.6Å; K279-E281 PolarHBondContact NZ-OE2 3.46Å; K279-E281 PolarHBondContact O-N 3.46Å; E281-Q283 PolarHBondContact O-N 3.47Å |
| 282 | G | 93.3 | Very high | 93.5 | Very high | 86 Ų | 86 | 75.9 Ų | 75.9 | 89% | 0.887 | 38% | 0.377 | S | S | * | . | S | Bend | trans | 69.4 | -34.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 283 | Q | 94 | Very high | 92.5 | Very high | 97 Ų | 97 | 73.9 Ų | 73.9 | 45% | 0.453 | 37% | 0.371 | S | S | . | . | trans | -98.9 | 121 | -172.4 | -60 | -162.3 | 38.7 | 0 | 0 | 113.8 | V280 E281 V286 | V280-Q283 HydrophobicContact CG1-CB 4.16Å; V280-Q283 HydrophobicContact CG1-CG 4.26Å; E281-Q283 PolarHBondContact O-N 3.47Å; Q283-V286 HydrophobicContact CB-CB 3.8Å; Q283-V286 HydrophobicContact CB-CG1 4.49Å; Q283-V286 HydrophobicContact CB-CG2 3.72Å | ||
| 284 | R | 95.1 | Very high | 90.9 | Very high | 226 Ų | 226 | 75.2 Ų | 75.2 | 85% | 0.853 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | 138.3 | 174.5 | -63.9 | -174.3 | -178.8 | -165.2 | 1.1 | 111.2 | V286 | R284-V286 PolarHBondContact O-N 3.13Š|
| 285 | L | 95.8 | Very high | 89.3 | Confident | 43 Ų | 43 | 72.1 Ų | 72.1 | 23% | 0.225 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | 17.6 | 179.6 | -55 | 178.2 | 0 | 0 | 0 | 115.2 | K239 L240 Y261 | K239-L285 WeakPolarHBondContact CA-O 3.46Å; L240-L285 HydrophobicContact CB-CB 4.19Å; L240-L285 PolarHBondContact N-O 2.94Å; L240-L285 WeakPolarHBondContact O-CB 3.31Å; Y261-L285 HydrophobicContact CE1-CD2 4.19Å; Y261-L285 HydrophobicContact CE2-CD2 3.75Å; Y261-L285 WeakPolarHBondContact OH-CD2 3.38Å |
| 286 | V | 96.2 | Very high | 88 | Confident | 1 Ų | 1 | 72.3 Ų | 72.3 | 1% | 0.006 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 131.9 | 178.2 | -174.7 | 0 | 0 | 0 | 0 | 110.4 | I237 F238 K239 V280 Q283 R284 | I237-V286 HydrophobicContact CG2-CG1 3.57Å; F238-V286 WeakPolarHBondContact O-CA 3.45Å; K239-V286 HydrophobicContact CB-CG2 3.96Å; K239-V286 HydrophobicContact CD-CG2 3.77Å; K239-V286 HydrophobicContact CG-CG2 3.74Å; V280-V286 HydrophobicContact CB-CB 4.18Å; V280-V286 HydrophobicContact CB-CG1 3.91Å; V280-V286 HydrophobicContact CG1-CG1 4.3Å; V280-V286 HydrophobicContact CG2-CG1 3.8Å; V280-V286 PolarHBondContact N-O 3.05Å; Q283-V286 HydrophobicContact CB-CB 3.8Å; Q283-V286 HydrophobicContact CB-CG1 4.49Å; Q283-V286 HydrophobicContact CB-CG2 3.72Å; R284-V286 PolarHBondContact O-N 3.13Å |
| 287 | Y | 96.4 | Very high | 86.6 | Confident | 9 Ų | 9 | 74.8 Ų | 74.8 | 4% | 0.035 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 158.4 | -176 | -50.6 | -67.4 | 0 | 0 | 0 | 110.1 | I237 F238 L240 Y261 L268 Y272 A278 | I237-Y287 CarbonylContact C-O 3.58Å; I237-Y287 WeakPolarHBondContact CA-O 3.19Å; F238-Y287 WeakPolarHBondContact CD1-O 3.36Å; F238-Y287 AromaticContact CE2-CD2 3.85Å; F238-Y287 HydrophobicContact CE2-CD2 3.85Å; F238-Y287 HydrophobicContact CE2-CG 4.4Å; F238-Y287 HydrophobicContact CZ-CD2 4.22Å; F238-Y287 HydrophobicContact CZ-CG 4.34Å; F238-Y287 PolarHBondContact N-O 2.95Å; F238-Y287 PolarHBondContact O-N 3.19Å; L240-Y287 HydrophobicContact CD1-CD2 3.96Å; L240-Y287 HydrophobicContact CD1-CE2 3.96Å; Y261-Y287 PolarHBondContact OH-OH 3.01Å; L268-Y287 HydrophobicContact CD1-CE2 3.92Å; Y272-Y287 HydrophobicContact CE1-CD1 4.04Å; Y272-Y287 HydrophobicContact CE1-CE1 4.36Å; Y272-Y287 WeakPolarHBondContact OH-CE1 3.47Å; A278-Y287 WeakPolarHBondContact O-CA 3.32Å |
| 288 | Q | 95.6 | Very high | 84.8 | Confident | 65 Ų | 65 | 80 Ų | 80 | 30% | 0.304 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 134.2 | 178.2 | -175.1 | 175.1 | 19.1 | 0 | 0 | 109.5 | K235 G236 I237 L277 A278 V280 | K235-Q288 VanDerWaalsContact O-CG 3.29Å; K235-Q288 WeakPolarHBondContact O-CG 3.37Å; K235-Q288 PolarHBondContact O-NE2 2.84Å; G236-Q288 WeakPolarHBondContact O-CA 3.45Å; I237-Q288 HydrophobicContact CG1-CB 4.03Å; I237-Q288 HydrophobicContact CG1-CG 3.73Å; L277-Q288 CarbonylContact C-O 3.58Å; L277-Q288 WeakPolarHBondContact CA-O 3.4Å; A278-Q288 HydrophobicContact CB-CB 4.35Å; A278-Q288 PolarHBondContact N-O 3Å; A278-Q288 PolarHBondContact O-N 3.37Å; V280-Q288 HydrophobicContact CG2-CB 4.32Å |
| 289 | F | 94.9 | Very high | 83 | Confident | 7 Ų | 7 | 79.6 Ų | 79.6 | 3% | 0.031 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 126.5 | 164.2 | -72.1 | -80.3 | 0 | 0 | 0 | 109.3 | W211 L215 L218 W230 G236 F238 L277 | W211-F289 HydrophobicContact CB-CE1 4.39Å; W211-F289 HydrophobicContact CE3-CE1 4.36Å; L215-F289 HydrophobicContact CB-CZ 4.23Å; L215-F289 HydrophobicContact CD1-CE2 4.22Å; L215-F289 HydrophobicContact CD1-CZ 4.22Å; L218-F289 HydrophobicContact CD1-CE2 4.2Å; W230-F289 AromaticContact CH2-CD2 3.92Å; W230-F289 HydrophobicContact CH2-CD2 3.92Å; W230-F289 AromaticContact CH2-CE2 3.8Å; W230-F289 HydrophobicContact CH2-CE2 3.8Å; W230-F289 HydrophobicContact CZ3-CD2 4.06Å; W230-F289 HydrophobicContact CZ3-CE2 4.23Å; G236-F289 PolarHBondContact O-N 2.92Å; F238-F289 AromaticContact CD1-CD2 3.66Å; F238-F289 HydrophobicContact CD1-CD2 3.66Å; F238-F289 AromaticContact CD1-CE2 3.48Å; F238-F289 HydrophobicContact CD1-CE2 3.48Å; F238-F289 VanDerWaalsContact CD1-CE2 3.48Å; F238-F289 HydrophobicContact CD1-CZ 4.42Å; F238-F289 AromaticContact CE1-CD2 3.49Å; F238-F289 HydrophobicContact CE1-CD2 3.49Å; F238-F289 VanDerWaalsContact CE1-CD2 3.49Å; F238-F289 HydrophobicContact CE1-CE1 4.48Å; F238-F289 AromaticContact CE1-CE2 3.23Å; F238-F289 HydrophobicContact CE1-CE2 3.23Å; F238-F289 HydrophobicContact CE1-CG 4.23Å; F238-F289 AromaticContact CE1-CZ 3.79Å; F238-F289 HydrophobicContact CE1-CZ 3.79Å; F238-F289 HydrophobicContact CG-CE2 4.46Å; F238-F289 HydrophobicContact CZ-CE2 4.06Å; F238-F289 HydrophobicContact CZ-CZ 4.23Å; L277-F289 HydrophobicContact CD2-CD1 3.56Å; L277-F289 HydrophobicContact CD2-CE1 3.78Å; L277-F289 HydrophobicContact CD2-CG 3.98Å; L277-F289 HydrophobicContact CD2-CZ 4.38Å |
| 290 | K | 89.5 | Confident | 81 | Confident | 130 Ų | 130 | 80.6 Ų | 80.6 | 57% | 0.565 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -74.6 | -33.6 | -179.6 | -69.9 | -152.1 | -173.7 | -177.1 | 0 | 113.1 | G275 I276 L277 A278 | G275-K290 VanDerWaalsContact O-CB 3.31Å; G275-K290 WeakPolarHBondContact O-CB 3.42Å; G275-K290 WeakPolarHBondContact O-CD 3.39Å; I276-K290 PolarHBondContact O-N 3.38Å; L277-K290 WeakPolarHBondContact O-CE 3.47Å; A278-K290 HydrophobicContact CB-CG 4.25Å |
| 291 | D | 86.2 | Confident | 79.3 | Confident | 126 Ų | 126 | 85.5 Ų | 85.5 | 67% | 0.674 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -117.7 | 129.6 | 166.7 | -179.7 | 22.1 | 0 | 0 | 0 | 106.5 | P293 | D291-P293 WeakPolarHBondContact O-CD 3.44Š|
| 292 | M | 81.3 | Confident | 77.3 | Confident | 49 Ų | 49 | 85.8 Ų | 85.8 | 24% | 0.241 | 45% | 0.446 | C | S | . | . | trans | -88.2 | 114 | -172.5 | -174.4 | 60.5 | 176.5 | 0 | 0 | 109.4 | W230 R233 G236 K294 I296 | W230-M292 HydrophobicContact CH2-CE 3.7Å; W230-M292 HydrophobicContact CH2-SD 4.28Å; W230-M292 HydrophobicContact CZ2-CE 4.22Å; W230-M292 HydrophobicContact CZ3-CE 3.98Å; W230-M292 HydrophobicContact CZ3-SD 4.43Å; R233-M292 WeakPolarHBondContact O-CE 3.23Å; G236-M292 VanDerWaalsContact CA-SD 3.52Å; M292-K294 PolarHBondContact O-N 3.39Å; M292-K294 VanDerWaalsContact O-N 3.14Å; M292-I296 HydrophobicContact CE-CB 4.47Å; M292-I296 HydrophobicContact CE-CD1 3.55Å; M292-I296 HydrophobicContact CE-CG2 4.15Å | ||
| 293 | P | 72.9 | Confident | 75.2 | Confident | 18 Ų | 18 | 88.9 Ų | 88.9 | 12% | 0.117 | 44% | 0.435 | C | S | . | . | trans | -62 | 120.8 | -173.5 | -25.6 | 37.4 | 0 | 0 | 0 | 111.9 | W211 L215 D291 N295 I296 | W211-P293 HydrophobicContact CZ3-CG 4.32Å; L215-P293 HydrophobicContact CD1-CB 4.34Å; L215-P293 HydrophobicContact CD1-CG 4.08Å; L215-P293 HydrophobicContact CD2-CB 3.6Å; L215-P293 HydrophobicContact CD2-CG 3.84Å; D291-P293 WeakPolarHBondContact O-CD 3.44Å; P293-N295 WeakPolarHBondContact CB-OD1 3.48Å; P293-N295 PolarHBondContact O-N 3.05Å; P293-I296 PolarHBondContact O-N 3.15Å | ||
| 294 | K | 61.8 | Low | 72.8 | Confident | 205 Ų | 205 | 89.7 Ų | 89.7 | 89% | 0.891 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -4.2 | -172 | -58 | -177.2 | -177.2 | -178.5 | 0 | 114.7 | M292 | M292-K294 PolarHBondContact O-N 3.39Å; M292-K294 VanDerWaalsContact O-N 3.14Å |
| 295 | N | 59.8 | Low | 70.2 | Confident | 89 Ų | 89 | 85.5 Ų | 85.5 | 48% | 0.476 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 7.7 | 178.9 | 68.2 | -89.8 | 0 | 0 | 0 | 114 | Q219 P293 V297 | Q219-N295 PolarHBondContact OE1-O 3.29Å; P293-N295 WeakPolarHBondContact CB-OD1 3.48Å; P293-N295 PolarHBondContact O-N 3.05Å; N295-V297 PolarHBondContact O-N 3.23Å; N295-V297 VanDerWaalsContact O-N 3.1Å |
| 296 | I | 67.6 | Low | 67.5 | Low | 37 Ų | 37 | 89.3 Ų | 89.3 | 19% | 0.19 | 47% | 0.467 | C | S | . | . | trans | -63 | 113.2 | 175.9 | -172 | 169.9 | 0 | 0 | 0 | 110.2 | W230 R233 M292 P293 V298 | W230-I296 HydrophobicContact CH2-CD1 4.25Å; W230-I296 HydrophobicContact CZ2-CD1 3.5Å; R233-I296 HydrophobicContact CG-CD1 4.06Å; M292-I296 HydrophobicContact CE-CB 4.47Å; M292-I296 HydrophobicContact CE-CD1 3.55Å; M292-I296 HydrophobicContact CE-CG2 4.15Å; P293-I296 PolarHBondContact O-N 3.15Å; I296-V298 PolarHBondContact O-N 3.29Å | ||
| 297 | V | 63 | Low | 64.5 | Low | 92 Ų | 92 | 95.3 Ų | 95.3 | 56% | 0.558 | 51% | 0.507 | S | S | * | . | trans | -63.8 | 120.3 | 169.9 | -179.6 | 0 | 0 | 0 | 0 | 107.9 | N295 I299 | N295-V297 PolarHBondContact O-N 3.23Å; N295-V297 VanDerWaalsContact O-N 3.1Å; V297-I299 HydrophobicContact CG1-CG1 4.29Å; V297-I299 PolarHBondContact O-N 3.17Å; V297-I299 VanDerWaalsContact O-N 3.1Å | ||
| 298 | V | 57.2 | Low | 61.6 | Low | 108 Ų | 108 | 101.5 Ų | 101.5 | 66% | 0.655 | 54% | 0.541 | S | S | * | . | trans | -66.4 | 114.9 | 174.8 | 179.4 | 0 | 0 | 0 | 0 | 108.1 | I296 | I296-V298 PolarHBondContact O-N 3.29Š| ||
| 299 | I | 59.2 | Low | 59.3 | Low | 16 Ų | 16 | 108 Ų | 108 | 8% | 0.082 | 57% | 0.571 | C | S | . | * | trans | -110 | 98 | 178.7 | -74 | 164.3 | 0 | 0 | 0 | 105.6 | Q219 K221 R233 V297 D301 | Q219-I299 WeakPolarHBondContact O-CD1 3.34Å; K221-I299 HydrophobicContact CD-CG2 3.85Å; K221-I299 HydrophobicContact CG-CD1 3.85Å; K221-I299 HydrophobicContact CG-CG1 4.18Å; K221-I299 HydrophobicContact CG-CG2 3.79Å; R233-I299 PolarHBondContact NH1-O 3.46Å; R233-I299 PolarHBondContact NH2-O 3.45Å; V297-I299 HydrophobicContact CG1-CG1 4.29Å; V297-I299 PolarHBondContact O-N 3.17Å; V297-I299 VanDerWaalsContact O-N 3.1Å; I299-D301 PolarHBondContact O-N 3.08Å | ||
| 300 | D | 53.9 | Low | 56.5 | Low | 116 Ų | 116 | 114.8 Ų | 114.8 | 62% | 0.62 | 61% | 0.608 | S | S | * | * | trans | -60.4 | 132.8 | 163.7 | -92.1 | -130.4 | 0 | 0 | 0 | 109 | K221 | K221-D300 PolarHBondContact NZ-O 3.47Š| ||
| 301 | D | 58.3 | Low | 54.2 | Low | 131 Ų | 131 | 116.7 Ų | 116.7 | 70% | 0.701 | 62% | 0.623 | S | S | * | * | trans | -102.5 | -0.6 | 178.4 | -108.1 | -136.6 | 0 | 0 | 0 | 110.9 | I299 K303 | I299-D301 PolarHBondContact O-N 3.08Å; D301-K303 PolarHBondContact O-N 3.28Å | ||
| 302 | D | 51.1 | Low | 51.9 | Low | 150 Ų | 150 | 115.3 Ų | 115.3 | 80% | 0.802 | 63% | 0.629 | S | S | * | * | trans | -82.7 | 32.5 | -165.8 | -122.6 | -77.2 | 0 | 0 | 0 | 114.7 | ||||
| 303 | K | 49.6 | Very low | 49.5 | Very low | 152 Ų | 152 | 116.7 Ų | 116.7 | 66% | 0.661 | 66% | 0.656 | S | S | * | * | trans | -157.7 | 65.8 | 173.3 | -136.3 | 178.7 | -163.6 | -67.8 | 0 | 114 | D301 E305 | D301-K303 PolarHBondContact O-N 3.28Å; K303-E305 HydrophobicContact CG-CG 3.99Å; K303-E305 IonicContact NZ-OE1 2.79Å; K303-E305 PolarHBondContact NZ-OE1 3.5Å; K303-E305 IonicContact NZ-OE2 3.34Å; K303-E305 PolarHBondContact NZ-OE2 3.35Å | ||
| 304 | S | 42.9 | Very low | 47.7 | Very low | 113 Ų | 113 | 119.9 Ų | 119.9 | 79% | 0.79 | 68% | 0.684 | S | S | * | * | trans | -107 | 105.9 | 154.1 | 60.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 305 | E | 40.8 | Very low | 46.4 | Very low | 139 Ų | 139 | 116.5 Ų | 116.5 | 65% | 0.65 | 68% | 0.681 | S | S | * | * | trans | -84.2 | 161.3 | -165.9 | -53.5 | -165 | 96.5 | 0 | 0 | 112.7 | K303 C307 | K303-E305 HydrophobicContact CG-CG 3.99Å; K303-E305 IonicContact NZ-OE1 2.79Å; K303-E305 PolarHBondContact NZ-OE1 3.5Å; K303-E305 IonicContact NZ-OE2 3.34Å; K303-E305 PolarHBondContact NZ-OE2 3.35Å; E305-C307 PolarHBondContact O-N 2.98Å; E305-C307 VanDerWaalsContact O-N 3.09Å | ||
| 306 | T | 38.4 | Very low | 45.3 | Very low | 123 Ų | 123 | 119.3 Ų | 119.3 | 76% | 0.755 | 70% | 0.696 | S | S | * | * | trans | -71.3 | 99.9 | -173.6 | -35.3 | 0 | 0 | 0 | 0 | 111.8 | N308 | T306-N308 PolarHBondContact O-N 2.95Å; T306-N308 VanDerWaalsContact O-N 3.12Å | ||
| 307 | C | 33.4 | Very low | 43.9 | Very low | 127 Ų | 127 | 123.7 Ų | 123.7 | 86% | 0.858 | 72% | 0.715 | S | S | * | * | trans | -82.1 | 79.7 | 171.4 | -58.2 | 0 | 0 | 0 | 0 | 111.2 | E305 | E305-C307 PolarHBondContact O-N 2.98Å; E305-C307 VanDerWaalsContact O-N 3.09Å | ||
| 308 | N | 35.9 | Very low | 42.6 | Very low | 138 Ų | 138 | 127 Ų | 127 | 74% | 0.738 | 72% | 0.722 | S | S | * | * | trans | -114.3 | 117.2 | 161.8 | -72.7 | -30.6 | 0 | 0 | 0 | 107.7 | T306 | T306-N308 PolarHBondContact O-N 2.95Å; T306-N308 VanDerWaalsContact O-N 3.12Å | ||
| 309 | E | 46.7 | Very low | 41.5 | Very low | 202 Ų | 202 | 127 Ų | 127 | 94% | 0.944 | 73% | 0.728 | S | S | * | * | trans | -93 | 139.9 | 168.9 | -100.1 | 175 | 81.8 | 0 | 0 | 110 | ||||
| 310 | D | 37.3 | Very low | 40.3 | Very low | 150 Ų | 150 | 134.5 Ų | 134.5 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | trans | -64.9 | 153.5 | -175.2 | -60.2 | -112.4 | 0 | 0 | 0 | 114.5 | ||||
| 311 | L | 41.3 | Very low | 39.1 | Very low | 169 Ų | 169 | 135.8 Ų | 135.8 | 89% | 0.885 | 77% | 0.769 | S | S | * | * | -166.3 | 143.9 | 110.3 | -104.8 | 166 | 0 | 0 | 0 | 113.5 | |||||
| 312 | A | 37.2 | Very low | 37.9 | Very low | 97 Ų | 97 | 138.7 Ų | 138.7 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | trans | 6.4 | 134.9 | 165.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 313 | G | 31.4 | Very low | 36.9 | Very low | 78 Ų | 78 | 137.5 Ų | 137.5 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | cis | 135 | 167.9 | 31.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 314 | A | 34.5 | Very low | 35.9 | Very low | 85 Ų | 85 | 135 Ų | 135 | 70% | 0.702 | 77% | 0.77 | S | S | * | * | cis | -157.2 | 168.1 | -2.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 315 | T | 35.6 | Very low | 35.1 | Very low | 135 Ų | 135 | 137.9 Ų | 137.9 | 83% | 0.828 | 78% | 0.775 | S | S | * | * | trans | 60.4 | 145.4 | 169.7 | 54.8 | 0 | 0 | 0 | 0 | 117 | ||||
| 316 | D | 35.2 | Very low | 34.5 | Very low | 147 Ų | 147 | 137.4 Ų | 137.4 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | cis | -145.1 | -171.1 | 8.1 | -157.1 | -118.4 | 0 | 0 | 0 | 112.7 | ||||
| 317 | E | 39.3 | Very low | 34.1 | Very low | 129 Ų | 129 | 135.4 Ų | 135.4 | 60% | 0.603 | 78% | 0.784 | S | S | * | * | trans | -74.7 | 125.7 | -172.3 | -143.8 | -102.2 | 116.7 | 0 | 0 | 112.9 | ||||
| 318 | K | 35.3 | Very low | 34 | Very low | 161 Ų | 161 | 138 Ų | 138 | 70% | 0.7 | 78% | 0.783 | S | S | * | * | 175.4 | 156.2 | 115.2 | -98.1 | 176.1 | -178.2 | 61.5 | 0 | 117.5 | |||||
| 319 | S | 35.1 | Very low | 33.7 | Very low | 110 Ų | 110 | 135.1 Ų | 135.1 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | 67.6 | 109.6 | 152.7 | -63 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 320 | L | 32.9 | Very low | 33 | Very low | 173 Ų | 173 | 132.8 Ų | 132.8 | 91% | 0.906 | 77% | 0.767 | S | S | * | * | trans | -66.2 | 147.5 | 157 | -58 | 149.5 | 0 | 0 | 0 | 110.9 | ||||
| 321 | E | 29.9 | Very low | 32.9 | Very low | 143 Ų | 143 | 132.7 Ų | 132.7 | 67% | 0.668 | 77% | 0.766 | S | S | * | * | -173.9 | 114.5 | 127 | -173.6 | 74 | -157.4 | 0 | 0 | 112 | |||||
| 322 | R | 32.9 | Very low | 32.4 | Very low | 191 Ų | 191 | 133.2 Ų | 133.2 | 72% | 0.721 | 76% | 0.761 | S | S | * | * | trans | 20.7 | 126.8 | 146.7 | -56.1 | -175.2 | -175.3 | 88.4 | 9.6 | 122.7 | ||||
| 323 | V | 29.2 | Very low | 32.1 | Very low | 125 Ų | 125 | 131.9 Ų | 131.9 | 76% | 0.758 | 75% | 0.75 | S | S | * | * | 76.7 | 102.8 | 123.8 | 177.3 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 324 | S | 27.7 | Very low | 32 | Very low | 100 Ų | 100 | 132 Ų | 132 | 70% | 0.699 | 74% | 0.743 | S | S | * | * | 66.5 | 128.2 | 129.2 | -60.8 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 325 | L | 27.4 | Very low | 31.8 | Very low | 173 Ų | 173 | 133.8 Ų | 133.8 | 91% | 0.906 | 75% | 0.751 | S | S | * | * | trans | 66.2 | 101 | 142.3 | -61.8 | 169.7 | 0 | 0 | 0 | 119.6 | ||||
| 326 | S | 27.8 | Very low | 31.5 | Very low | 130 Ų | 130 | 132.6 Ų | 132.6 | 91% | 0.909 | 75% | 0.748 | S | S | * | * | -163.2 | 179.9 | 108.1 | -158.9 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 327 | A | 29.6 | Very low | 31.3 | Very low | 81 Ų | 81 | 131.2 Ų | 131.2 | 67% | 0.669 | 74% | 0.744 | S | S | * | * | trans | -117.2 | -176.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 328 | E | 31 | Very low | 31 | Very low | 181 Ų | 181 | 136.1 Ų | 136.1 | 85% | 0.846 | 76% | 0.757 | S | S | * | * | trans | 82 | 143.7 | 171.5 | -58.5 | -144.1 | 62.9 | 0 | 0 | 116.6 | ||||
| 329 | S | 30.7 | Very low | 30.8 | Very low | 78 Ų | 78 | 133 Ų | 133 | 55% | 0.545 | 76% | 0.756 | S | S | . | * | cis | -160 | 162.9 | -0.4 | -132.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 330 | L | 32 | Very low | 30.5 | Very low | 153 Ų | 153 | 131.4 Ų | 131.4 | 80% | 0.801 | 76% | 0.757 | S | S | * | * | trans | 65.3 | 147.5 | 154.7 | -59.9 | 164.9 | 0 | 0 | 0 | 117.8 | ||||
| 331 | L | 35.5 | Very low | 30.5 | Very low | 147 Ų | 147 | 131.6 Ų | 131.6 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | cis | -133.2 | -177 | -1.7 | -58.5 | 167.3 | 0 | 0 | 0 | 108.4 | ||||
| 332 | K | 30.3 | Very low | 30.4 | Very low | 180 Ų | 180 | 130.8 Ų | 130.8 | 78% | 0.783 | 75% | 0.75 | S | S | * | * | cis | -152.9 | 172.5 | 5 | -166.5 | 132.7 | 174.4 | 172.3 | 0 | 110.6 | ||||
| 333 | A | 29.9 | Very low | 30.4 | Very low | 69 Ų | 69 | 125 Ų | 125 | 57% | 0.57 | 74% | 0.739 | S | S | * | * | trans | -31.4 | 163 | 166.2 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 334 | A | 30 | Very low | 31 | Very low | 80 Ų | 80 | 123.2 Ų | 123.2 | 66% | 0.661 | 73% | 0.733 | S | S | * | * | cis | -160.3 | 172.3 | -11.2 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 335 | S | 30.8 | Very low | 31.5 | Very low | 124 Ų | 124 | 121.5 Ų | 121.5 | 87% | 0.867 | 72% | 0.719 | S | S | * | * | cis | -160.1 | -139.7 | 35.8 | 66.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 336 | S | 28.5 | Very low | 31.8 | Very low | 110 Ų | 110 | 117.9 Ų | 117.9 | 77% | 0.769 | 70% | 0.7 | S | S | * | * | trans | -91.1 | -177.7 | -154.9 | -168.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 337 | V | 31.3 | Very low | 31.8 | Very low | 117 Ų | 117 | 115.2 Ų | 115.2 | 71% | 0.709 | 68% | 0.675 | S | S | * | * | trans | 96.3 | 88.6 | 158.1 | -165.4 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 338 | R | 33.8 | Very low | 31.6 | Very low | 232 Ų | 232 | 115 Ų | 115 | 88% | 0.875 | 67% | 0.668 | S | S | * | * | 56.8 | 115.2 | 129.5 | -58 | 179.9 | -178 | -147 | -0.5 | 123.1 | |||||
| 339 | S | 29.6 | Very low | 31.6 | Very low | 97 Ų | 97 | 111.1 Ų | 111.1 | 68% | 0.678 | 66% | 0.661 | S | S | * | * | 67.3 | 81.1 | 121.2 | -178.3 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 340 | G | 29.5 | Very low | 31.6 | Very low | 76 Ų | 76 | 115.2 Ų | 115.2 | 78% | 0.784 | 66% | 0.664 | S | S | * | * | 75.6 | 169.4 | 97.8 | 0 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 341 | K | 33.5 | Very low | 31.7 | Very low | 176 Ų | 176 | 112.3 Ų | 112.3 | 77% | 0.765 | 66% | 0.663 | S | S | * | * | trans | 86.1 | 96.6 | 163.4 | -61.2 | 175.9 | -171.1 | 114.3 | 0 | 120.8 | ||||
| 342 | N | 28 | Very low | 31.4 | Very low | 126 Ų | 126 | 112.5 Ų | 112.5 | 67% | 0.674 | 66% | 0.659 | S | S | * | * | 62 | 107.4 | 116.4 | -59.6 | 15.6 | 0 | 0 | 0 | 121.4 | |||||
| 343 | S | 33.1 | Very low | 31.5 | Very low | 69 Ų | 69 | 113 Ų | 113 | 48% | 0.483 | 66% | 0.661 | S | S | . | * | 83.6 | 126 | 118.6 | 72.2 | 0 | 0 | 0 | 0 | 121.8 | R226 | R226-S343 PolarHBondContact NE-OG 3.03Å; R226-S343 PolarHBondContact NH2-O 3.36Å; R226-S343 PolarHBondContact NH2-OG 3.08Å | |||
| 344 | S | 40.8 | Very low | 31.3 | Very low | 89 Ų | 89 | 113 Ų | 113 | 62% | 0.622 | 67% | 0.668 | S | S | * | * | trans | -52.4 | 172.8 | 150.6 | 55.9 | 0 | 0 | 0 | 0 | 113.2 | R226 | R226-S344 WeakPolarHBondContact CD-O 3.31Å; R226-S344 PolarHBondContact NE-O 3.29Å; R226-S344 PolarHBondContact NH2-O 3.18Å; R226-S344 VanDerWaalsContact NH2-O 3.17Å | ||
| 345 | P | 38.2 | Very low | 31.3 | Very low | 63 Ų | 63 | 115.9 Ų | 115.9 | 41% | 0.409 | 68% | 0.678 | S | S | . | * | -143.6 | 146.5 | 107.5 | 43.9 | -32.3 | 0 | 0 | 0 | 113.5 | |||||
| 346 | I | 33.8 | Very low | 31.2 | Very low | 98 Ų | 98 | 113.5 Ų | 113.5 | 50% | 0.503 | 67% | 0.665 | S | S | . | * | 36.5 | 120.4 | 83.6 | -1.4 | -174.5 | 0 | 0 | 0 | 116.3 | |||||
| 347 | N | 27.3 | Very low | 31.1 | Very low | 73 Ų | 73 | 119.5 Ų | 119.5 | 39% | 0.39 | 67% | 0.671 | S | S | . | * | 171.2 | 105.5 | 107.4 | -83.8 | -28.2 | 0 | 0 | 0 | 118.4 | N222 | N222-N347 VanDerWaalsContact CA-OD1 3.23Å; N222-N347 WeakPolarHBondContact CA-OD1 3.35Å; N222-N347 HydrophobicContact CB-CB 4.38Å; N222-N347 WeakPolarHBondContact CB-OD1 3.04Å; N222-N347 PolarHBondContact O-ND2 3.15Å; N222-N347 PolarHBondContact O-OD1 3.09Å | |||
| 348 | C | 25.8 | Very low | 30.8 | Very low | 77 Ų | 77 | 120.1 Ų | 120.1 | 52% | 0.52 | 68% | 0.675 | S | S | . | * | 27.4 | 138.9 | 115.9 | -49.1 | 0 | 0 | 0 | 0 | 121.8 | N222 | N222-C348 HydrophobicContact CB-CB 3.95Å; N222-C348 VanDerWaalsContact OD1-CB 3.27Å; N222-C348 WeakPolarHBondContact OD1-CB 3.46Å; N222-C348 PolarHBondContact OD1-SG 3.34Å; N222-C348 VanDerWaalsContact OD1-SG 3.33Å | |||
| 349 | S | 31.1 | Very low | 30.6 | Very low | 100 Ų | 100 | 114.3 Ų | 114.3 | 70% | 0.699 | 67% | 0.665 | S | S | * | * | trans | -165.6 | 128.4 | 137.3 | 68.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 350 | R | 31.7 | Very low | 30.3 | Very low | 163 Ų | 163 | 117.2 Ų | 117.2 | 62% | 0.615 | 67% | 0.673 | S | S | * | * | 78.6 | 111.8 | 91.8 | -171.9 | -163.6 | -77.1 | -174.1 | -3.4 | 117.1 | |||||
| 351 | A | 33.5 | Very low | 30.2 | Very low | 93 Ų | 93 | 119.9 Ų | 119.9 | 77% | 0.769 | 67% | 0.668 | S | S | * | * | -158.4 | 142.8 | 129 | 0 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 352 | E | 28.2 | Very low | 30.1 | Very low | 150 Ų | 150 | 117 Ų | 117 | 70% | 0.701 | 67% | 0.665 | S | S | * | * | cis | 85.9 | 130.6 | 29.7 | -86.4 | -131.4 | 94.3 | 0 | 0 | 117.5 | ||||
| 353 | K | 32.3 | Very low | 30.2 | Very low | 190 Ų | 190 | 116.7 Ų | 116.7 | 83% | 0.826 | 67% | 0.673 | S | S | * | * | trans | 69.8 | 145.1 | 174.4 | -61.9 | 177.7 | 179.4 | 178.3 | 0 | 116.5 | ||||
| 354 | G | 27.1 | Very low | 30.6 | Very low | 69 Ų | 69 | 119 Ų | 119 | 71% | 0.711 | 69% | 0.686 | S | S | * | * | cis | 150.4 | -159.2 | -5.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 355 | V | 30.3 | Very low | 29.9 | Very low | 142 Ų | 142 | 117.7 Ų | 117.7 | 86% | 0.861 | 69% | 0.687 | S | S | * | * | trans | 92.1 | 103.8 | 162.2 | -172.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 356 | A | 27.2 | Very low | 29.6 | Very low | 73 Ų | 73 | 123.3 Ų | 123.3 | 60% | 0.603 | 71% | 0.707 | S | S | * | * | trans | 81.2 | 117.7 | 132.6 | 0 | 0 | 0 | 0 | 0 | 125 | ||||
| 357 | R | 26.9 | Very low | 29.4 | Very low | 236 Ų | 236 | 125.3 Ų | 125.3 | 89% | 0.891 | 72% | 0.719 | S | S | * | * | 82.9 | 163.8 | 121.3 | -73.9 | 176.5 | 177 | 166.6 | -3.5 | 121.6 | |||||
| 358 | V | 25.4 | Very low | 29.7 | Very low | 131 Ų | 131 | 126.1 Ų | 126.1 | 79% | 0.794 | 74% | 0.735 | S | S | * | * | trans | 90.8 | 141.2 | 156.7 | -145.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 359 | V | 28.8 | Very low | 29.9 | Very low | 110 Ų | 110 | 127.3 Ų | 127.3 | 67% | 0.667 | 75% | 0.745 | S | S | * | * | trans | 67.8 | 120.5 | 171.5 | -159.9 | 0 | 0 | 0 | 0 | 117.4 | I361 | V359-I361 HydrophobicContact CG1-CB 4.36Å; V359-I361 HydrophobicContact CG1-CD1 3.6Å; V359-I361 HydrophobicContact CG1-CG1 3.63Å | ||
| 360 | N | 24.3 | Very low | 29.8 | Very low | 157 Ų | 157 | 127.8 Ų | 127.8 | 84% | 0.84 | 75% | 0.748 | S | S | * | * | trans | -132 | 113.6 | 150.9 | -165.9 | 93.9 | 0 | 0 | 0 | 107.6 | ||||
| 361 | I | 27.1 | Very low | 29.7 | Very low | 133 Ų | 133 | 130.9 Ų | 130.9 | 68% | 0.682 | 76% | 0.76 | S | S | * | * | trans | -131.3 | 151.4 | 177.1 | -60.4 | 169.4 | 0 | 0 | 0 | 107.2 | V359 | V359-I361 HydrophobicContact CG1-CB 4.36Å; V359-I361 HydrophobicContact CG1-CD1 3.6Å; V359-I361 HydrophobicContact CG1-CG1 3.63Å | ||
| 362 | T | 30.6 | Very low | 29.7 | Very low | 115 Ų | 115 | 131 Ų | 131 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | trans | 81 | 112.5 | 172.1 | -36.4 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 363 | S | 31.3 | Very low | 30.4 | Very low | 119 Ų | 119 | 128.9 Ų | 128.9 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | trans | -119.5 | 139.6 | 145.1 | -59.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 364 | P | 40.1 | Very low | 30.1 | Very low | 118 Ų | 118 | 125.2 Ų | 125.2 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | trans | -122.9 | 159.4 | 158.8 | 36.6 | -24 | 0 | 0 | 0 | 112.3 | ||||
| 365 | G | 28 | Very low | 30.4 | Very low | 62 Ų | 62 | 127.5 Ų | 127.5 | 64% | 0.639 | 75% | 0.748 | S | S | * | * | trans | 86.6 | 113.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 366 | H | 32 | Very low | 30.4 | Very low | 181 Ų | 181 | 127.8 Ų | 127.8 | 84% | 0.838 | 75% | 0.745 | S | S | * | * | 57 | 117.3 | 62.2 | -64.1 | -108.3 | 0 | 0 | 0 | 111.2 | |||||
| 367 | D | 29.1 | Very low | 30.5 | Very low | 140 Ų | 140 | 129 Ų | 129 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | cis | -137.4 | 147 | 42.5 | -88 | -48.1 | 0 | 0 | 0 | 112.6 | ||||
| 368 | A | 32.2 | Very low | 30.6 | Very low | 89 Ų | 89 | 122.9 Ų | 122.9 | 74% | 0.736 | 75% | 0.748 | S | S | * | * | 58.3 | 128.8 | 73.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 369 | S | 30.5 | Very low | 30.8 | Very low | 103 Ų | 103 | 123.9 Ų | 123.9 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | cis | 167.2 | 148.1 | -22.4 | 167.8 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 370 | S | 29.3 | Very low | 30.7 | Very low | 110 Ų | 110 | 124.3 Ų | 124.3 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | trans | 67.1 | 167.6 | 170.9 | 83.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 371 | R | 30.7 | Very low | 30.8 | Very low | 228 Ų | 228 | 121 Ų | 121 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | cis | -151.2 | 141.9 | 10.1 | -167 | 160.7 | 173.6 | -160.7 | -1.8 | 112.5 | ||||
| 372 | S | 32.6 | Very low | 31 | Very low | 94 Ų | 94 | 121.5 Ų | 121.5 | 66% | 0.657 | 77% | 0.766 | S | S | * | * | trans | -93.1 | 153.5 | 161.7 | 54 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 373 | P | 42.3 | Very low | 31 | Very low | 107 Ų | 107 | 120.9 Ų | 120.9 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | -130.8 | 156.3 | 102.2 | 14.8 | 7.1 | 0 | 0 | 0 | 112.4 | |||||
| 374 | T | 27.5 | Very low | 31.1 | Very low | 112 Ų | 112 | 119.2 Ų | 119.2 | 69% | 0.687 | 77% | 0.766 | S | S | * | * | 61.1 | 124.8 | 65 | -21.3 | 0 | 0 | 0 | 0 | 110 | |||||
| 375 | T | 31.8 | Very low | 30.9 | Very low | 117 Ų | 117 | 119.6 Ų | 119.6 | 72% | 0.718 | 77% | 0.769 | S | S | * | * | -152.9 | 146.2 | 55.9 | 48 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 376 | N | 31.4 | Very low | 31.2 | Very low | 148 Ų | 148 | 128.1 Ų | 128.1 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | 63.7 | 127.5 | 137.6 | -57.2 | 3.8 | 0 | 0 | 0 | 121.7 | ||||
| 377 | A | 29.2 | Very low | 31.4 | Very low | 99 Ų | 99 | 125.7 Ų | 125.7 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -82.2 | -176.5 | 155 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 378 | S | 28.4 | Very low | 31.4 | Very low | 107 Ų | 107 | 125.1 Ų | 125.1 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | cis | -158.9 | 160.8 | 11.3 | 55.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 379 | V | 30 | Very low | 31.5 | Very low | 152 Ų | 152 | 132.1 Ų | 132.1 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | -162.1 | 163.3 | 138.1 | -100.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 380 | S | 26.4 | Very low | 31.4 | Very low | 119 Ų | 119 | 133.3 Ų | 133.3 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | -103.3 | 168.7 | -160 | -58.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 381 | A | 27.6 | Very low | 31.5 | Very low | 88 Ų | 88 | 132.4 Ų | 132.4 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | 105.3 | 131.3 | 145.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 382 | T | 30.6 | Very low | 31.4 | Very low | 144 Ų | 144 | 129.9 Ų | 129.9 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | trans | 45.1 | 99.6 | 153.7 | 43 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 383 | A | 29.3 | Very low | 31.4 | Very low | 102 Ų | 102 | 134.1 Ų | 134.1 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | trans | -142.2 | 127.7 | 153 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 384 | A | 35 | Very low | 31.1 | Very low | 84 Ų | 84 | 135 Ų | 135 | 69% | 0.694 | 80% | 0.802 | S | S | * | * | trans | -76.4 | 150.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110 | R386 | A384-R386 PolarHBondContact O-N 3.16Š| ||
| 385 | P | 34.4 | Very low | 31.5 | Very low | 126 Ų | 126 | 134.9 Ų | 134.9 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -67.7 | 104 | -178.4 | 27.1 | -34.3 | 0 | 0 | 0 | 111.5 | T387 | P385-T387 PolarHBondContact O-N 2.93Š| ||
| 386 | R | 35.7 | Very low | 31.8 | Very low | 241 Ų | 241 | 135.5 Ų | 135.5 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | trans | -72 | 112.4 | 169 | -73.5 | -179.3 | 173.3 | 144.9 | -1.9 | 109.4 | A384 V388 | A384-R386 PolarHBondContact O-N 3.16Å; R386-V388 PolarHBondContact O-N 3.31Å | ||
| 387 | T | 35.8 | Very low | 32 | Very low | 129 Ų | 129 | 133.9 Ų | 133.9 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | trans | -75.8 | 101.4 | 174.4 | 42.3 | 0 | 0 | 0 | 0 | 110.8 | P385 R389 | P385-T387 PolarHBondContact O-N 2.93Å; T387-R389 PolarHBondContact O-N 3.14Å | ||
| 388 | V | 28.8 | Very low | 32.4 | Very low | 128 Ų | 128 | 137.6 Ų | 137.6 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | trans | -69 | 120.8 | 171.1 | 179.9 | 0 | 0 | 0 | 0 | 108.9 | R386 V390 | R386-V388 PolarHBondContact O-N 3.31Å; V388-V390 HydrophobicContact CG1-CG2 4.21Å | ||
| 389 | R | 33.6 | Very low | 33.2 | Very low | 237 Ų | 237 | 138.4 Ų | 138.4 | 89% | 0.894 | 81% | 0.806 | S | S | * | * | trans | -89.2 | 120.7 | 168.6 | -65 | -177.6 | -177.9 | 179.2 | 0.8 | 109 | T387 | T387-R389 PolarHBondContact O-N 3.14Š| ||
| 390 | V | 29.4 | Very low | 33.8 | Very low | 127 Ų | 127 | 136.7 Ų | 136.7 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | trans | -115.9 | 124.8 | 158.9 | -179.8 | 0 | 0 | 0 | 0 | 107.1 | V388 M392 | V388-V390 HydrophobicContact CG1-CG2 4.21Å; V390-M392 PolarHBondContact O-N 2.96Å | ||
| 391 | A | 31.7 | Very low | 34.4 | Very low | 92 Ų | 92 | 139.5 Ų | 139.5 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | trans | -81.4 | 114.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q393 | A391-Q393 PolarHBondContact O-N 3.25Š| ||
| 392 | M | 27.7 | Very low | 35 | Very low | 175 Ų | 175 | 138.6 Ų | 138.6 | 86% | 0.862 | 81% | 0.805 | S | S | * | * | trans | -75 | 115.9 | 166.6 | -77.7 | -179.5 | 64.1 | 0 | 0 | 109.4 | V390 | V390-M392 PolarHBondContact O-N 2.96Š| ||
| 393 | Q | 33.8 | Very low | 35.3 | Very low | 183 Ų | 183 | 139.7 Ų | 139.7 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | trans | -68.3 | 134.3 | 167.5 | -63.7 | 169 | -2 | 0 | 0 | 108.5 | A391 P395 | A391-Q393 PolarHBondContact O-N 3.25Å; Q393-P395 WeakPolarHBondContact O-CD 3.48Å | ||
| 394 | V | 35 | Very low | 35.6 | Very low | 124 Ų | 124 | 142.8 Ų | 142.8 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | trans | -92.5 | 119.7 | 178.3 | 178.9 | 0 | 0 | 0 | 0 | 108.9 | V396 | V394-V396 PolarHBondContact O-N 3.31Š| ||
| 395 | P | 36.6 | Very low | 35.4 | Very low | 111 Ų | 111 | 147.2 Ų | 147.2 | 72% | 0.721 | 80% | 0.804 | S | S | * | * | trans | -67.5 | 114.2 | 172.9 | -18.7 | 32.6 | 0 | 0 | 0 | 110.4 | Q393 V397 | Q393-P395 WeakPolarHBondContact O-CD 3.48Å; P395-V397 PolarHBondContact O-N 2.97Å | ||
| 396 | V | 37.2 | Very low | 35.2 | Very low | 129 Ų | 129 | 146.5 Ų | 146.5 | 78% | 0.782 | 80% | 0.802 | S | S | * | * | trans | -81.5 | 101.5 | 170.2 | 178.1 | 0 | 0 | 0 | 0 | 108.2 | V394 | V394-V396 PolarHBondContact O-N 3.31Š| ||
| 397 | V | 36.8 | Very low | 35 | Very low | 115 Ų | 115 | 141.6 Ų | 141.6 | 70% | 0.697 | 80% | 0.799 | S | S | * | * | trans | -90 | 110.3 | 171.7 | -173.1 | 0 | 0 | 0 | 0 | 108.6 | P395 T399 | P395-V397 PolarHBondContact O-N 2.97Å; V397-T399 HydrophobicContact CG1-CG2 4.18Å; V397-T399 PolarHBondContact O-N 3.33Å | ||
| 398 | M | 35.6 | Very low | 34.7 | Very low | 176 Ų | 176 | 141.6 Ų | 141.6 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | trans | -77.9 | 115.8 | 167.5 | -73 | -178.5 | 62.9 | 0 | 0 | 109.6 | ||||
| 399 | T | 45.9 | Very low | 34.8 | Very low | 124 Ų | 124 | 140 Ų | 140 | 76% | 0.761 | 80% | 0.799 | S | S | * | * | trans | -125.2 | 125.9 | 162.6 | 48.1 | 0 | 0 | 0 | 0 | 110 | V397 | V397-T399 HydrophobicContact CG1-CG2 4.18Å; V397-T399 PolarHBondContact O-N 3.33Å | ||
| 400 | S | 42 | Very low | 34.5 | Very low | 117 Ų | 117 | 135.6 Ų | 135.6 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -69.6 | 154.2 | 164 | 39.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 401 | L | 39 | Very low | 34.4 | Very low | 178 Ų | 178 | 138.5 Ų | 138.5 | 93% | 0.932 | 80% | 0.803 | S | S | * | * | S | Bend | trans | 68.4 | 66.2 | 163 | -152.4 | 68.5 | 0 | 0 | 0 | 118.8 | ||
| 402 | G | 40 | Very low | 34.2 | Very low | 69 Ų | 69 | 139.8 Ų | 139.8 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | 94 | 79.2 | 119.3 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 403 | Q | 38.7 | Very low | 34.4 | Very low | 167 Ų | 167 | 137.8 Ų | 137.8 | 78% | 0.78 | 80% | 0.804 | S | S | * | * | trans | 67.7 | 148.5 | 148 | -61.2 | -173.9 | 9.1 | 0 | 0 | 118.3 | ||||
| 404 | K | 33.9 | Very low | 34.1 | Very low | 167 Ų | 167 | 137 Ų | 137 | 73% | 0.726 | 81% | 0.806 | S | S | * | * | cis | -167.9 | 140.1 | -0.5 | 39.7 | -168.5 | 156.5 | -71.8 | 0 | 108.5 | ||||
| 405 | I | 30.6 | Very low | 33.9 | Very low | 176 Ų | 176 | 135.8 Ų | 135.8 | 90% | 0.903 | 81% | 0.809 | S | S | * | * | trans | -126.7 | 145.7 | 176.3 | -56.7 | 177.8 | 0 | 0 | 0 | 109 | ||||
| 406 | S | 30.9 | Very low | 33.5 | Very low | 112 Ų | 112 | 134.2 Ų | 134.2 | 78% | 0.783 | 81% | 0.813 | S | S | * | * | trans | -109.1 | 130 | -177.5 | -169.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 407 | T | 32 | Very low | 33.2 | Very low | 137 Ų | 137 | 132.8 Ų | 132.8 | 84% | 0.84 | 82% | 0.815 | S | S | * | * | trans | -85.1 | 144.9 | 176.4 | -82.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 408 | V | 29.4 | Very low | 34 | Very low | 129 Ų | 129 | 132.6 Ų | 132.6 | 78% | 0.782 | 82% | 0.816 | S | S | * | * | trans | -108 | 142.3 | 172.8 | -178.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 409 | A | 31.3 | Very low | 33.6 | Very low | 95 Ų | 95 | 131.4 Ų | 131.4 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | trans | -111.7 | 148.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 410 | V | 27.2 | Very low | 32.8 | Very low | 144 Ų | 144 | 133 Ų | 133 | 87% | 0.873 | 82% | 0.815 | S | S | * | * | trans | -111.4 | 145.3 | -175.9 | -171.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 411 | Q | 26.7 | Very low | 32 | Very low | 188 Ų | 188 | 133.6 Ų | 133.6 | 88% | 0.879 | 81% | 0.813 | S | S | * | * | trans | -85.2 | 155.5 | -179.5 | -63.8 | -178.6 | 12.7 | 0 | 0 | 112.7 | ||||
| 412 | S | 27.3 | Very low | 31.3 | Very low | 120 Ų | 120 | 130.6 Ų | 130.6 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | trans | -143.9 | 168 | 164.1 | -168.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 413 | V | 31.5 | Very low | 30.7 | Very low | 132 Ų | 132 | 133.3 Ų | 133.3 | 80% | 0.8 | 81% | 0.81 | S | S | * | * | trans | -129.3 | 166.7 | -153.7 | -65.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 414 | N | 29.3 | Very low | 30.3 | Very low | 167 Ų | 167 | 130.6 Ų | 130.6 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | trans | 97.6 | 157.6 | 161.2 | -146.5 | 22.9 | 0 | 0 | 0 | 118.1 | ||||
| 415 | A | 29.7 | Very low | 30.5 | Very low | 98 Ų | 98 | 128 Ų | 128 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | trans | -139.4 | 162.1 | -155.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 416 | G | 29 | Very low | 30.6 | Very low | 79 Ų | 79 | 125.7 Ų | 125.7 | 81% | 0.814 | 80% | 0.804 | S | S | * | * | trans | -179.1 | 159.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 417 | A | 31.2 | Very low | 30.7 | Very low | 99 Ų | 99 | 127.5 Ų | 127.5 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -160.9 | -169.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 418 | P | 52.3 | Low | 30.9 | Very low | 111 Ų | 111 | 126 Ų | 126 | 72% | 0.721 | 81% | 0.812 | S | S | * | * | cis | -137.1 | -158.5 | -13.7 | 35.9 | -12.7 | 0 | 0 | 0 | 114.7 | ||||
| 419 | L | 27.6 | Very low | 31.2 | Very low | 151 Ų | 151 | 126.3 Ų | 126.3 | 79% | 0.791 | 82% | 0.815 | S | S | * | * | trans | 80.1 | 152.9 | 165.5 | -64.8 | 147.2 | 0 | 0 | 0 | 117.6 | ||||
| 420 | I | 28.3 | Very low | 31.4 | Very low | 158 Ų | 158 | 125.9 Ų | 125.9 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | cis | -136.3 | -161 | 14.1 | -3.9 | 171.4 | 0 | 0 | 0 | 114.1 | ||||
| 421 | T | 26.1 | Very low | 31.7 | Very low | 128 Ų | 128 | 124.5 Ų | 124.5 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -113.6 | 172.9 | -159.4 | 49 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 422 | S | 24.7 | Very low | 31.9 | Very low | 115 Ų | 115 | 123.7 Ų | 123.7 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | 80.9 | 152 | 161.1 | -117.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 423 | T | 28.2 | Very low | 32.5 | Very low | 127 Ų | 127 | 123.4 Ų | 123.4 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | cis | -135.6 | 167.5 | 5.2 | 47.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 424 | S | 28.9 | Very low | 32.7 | Very low | 110 Ų | 110 | 122.2 Ų | 122.2 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | trans | -88.1 | 171.2 | 160.7 | -55.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 425 | P | 39 | Very low | 33.3 | Very low | 113 Ų | 113 | 119.7 Ų | 119.7 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | cis | -147.1 | 173.3 | 25.4 | 45 | -24.7 | 0 | 0 | 0 | 119.4 | ||||
| 426 | T | 32.5 | Very low | 33.5 | Very low | 127 Ų | 127 | 123.6 Ų | 123.6 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | trans | 25 | 109.4 | 151.6 | 56.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 427 | T | 32.9 | Very low | 34.2 | Very low | 149 Ų | 149 | 124.4 Ų | 124.4 | 91% | 0.914 | 76% | 0.755 | S | S | * | * | -146.8 | 139.7 | 118.4 | 15.1 | 0 | 0 | 0 | 0 | 108.8 | T429 | T427-T429 PolarHBondContact O-N 2.87Š| |||
| 428 | A | 36.9 | Very low | 34.5 | Very low | 105 Ų | 105 | 127 Ų | 127 | 87% | 0.868 | 75% | 0.754 | S | S | * | * | trans | -94.7 | 102.9 | -168.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 429 | T | 34.7 | Very low | 33.7 | Very low | 137 Ų | 137 | 125.8 Ų | 125.8 | 84% | 0.84 | 75% | 0.745 | S | S | * | * | trans | -122.1 | 130.4 | 150.7 | 49.4 | 0 | 0 | 0 | 0 | 108.8 | T427 | T427-T429 PolarHBondContact O-N 2.87Š| ||
| 430 | S | 35.5 | Very low | 34.4 | Very low | 85 Ų | 85 | 124.8 Ų | 124.8 | 59% | 0.594 | 75% | 0.746 | S | S | * | * | trans | -71.5 | 142.1 | -172 | 52.4 | 0 | 0 | 0 | 0 | 111.8 | K432 | S430-K432 PolarHBondContact O-N 3.3Š| ||
| 431 | P | 34.5 | Very low | 34.9 | Very low | 116 Ų | 116 | 122.5 Ų | 122.5 | 75% | 0.753 | 74% | 0.739 | S | S | * | * | trans | -67.3 | 98.1 | 172.9 | 27.7 | -33.5 | 0 | 0 | 0 | 109.8 | V433 | P431-V433 PolarHBondContact O-N 3.47Å; P431-V433 VanDerWaalsContact O-N 3.09Å | ||
| 432 | K | 30 | Very low | 35.9 | Very low | 171 Ų | 171 | 124 Ų | 124 | 74% | 0.743 | 74% | 0.739 | S | S | * | * | trans | -70.5 | 100.3 | 170.5 | -80.8 | -175.2 | 175 | 178.9 | 0 | 109.4 | S430 V434 | S430-K432 PolarHBondContact O-N 3.3Å; K432-V434 PolarHBondContact O-N 3.19Å; K432-V434 VanDerWaalsContact O-N 3.11Å | ||
| 433 | V | 40.6 | Very low | 36.7 | Very low | 113 Ų | 113 | 123.8 Ų | 123.8 | 69% | 0.685 | 74% | 0.735 | S | S | * | * | trans | -72.3 | 100.1 | 169.2 | -177.8 | 0 | 0 | 0 | 0 | 108.6 | P431 I435 | P431-V433 PolarHBondContact O-N 3.47Å; P431-V433 VanDerWaalsContact O-N 3.09Å; V433-I435 HydrophobicContact CG1-CG1 4.21Å; V433-I435 PolarHBondContact O-N 3.36Å | ||
| 434 | V | 35 | Very low | 37.4 | Very low | 107 Ų | 107 | 122 Ų | 122 | 65% | 0.648 | 73% | 0.733 | S | S | * | * | trans | -86 | 107.6 | 173 | -178.9 | 0 | 0 | 0 | 0 | 108.4 | K432 Q436 | K432-V434 PolarHBondContact O-N 3.19Å; K432-V434 VanDerWaalsContact O-N 3.11Å; V434-Q436 PolarHBondContact O-N 3.46Å | ||
| 435 | I | 42 | Very low | 38 | Very low | 115 Ų | 115 | 122.7 Ų | 122.7 | 59% | 0.59 | 74% | 0.738 | S | S | * | * | trans | -81.9 | 99.8 | 174.5 | -57.3 | 177.4 | 0 | 0 | 0 | 108 | V433 T437 | V433-I435 HydrophobicContact CG1-CG1 4.21Å; V433-I435 PolarHBondContact O-N 3.36Å; I435-T437 PolarHBondContact O-N 3.14Å | ||
| 436 | Q | 33.5 | Very low | 38.4 | Very low | 180 Ų | 180 | 123.2 Ų | 123.2 | 84% | 0.841 | 74% | 0.739 | S | S | * | * | trans | -78.4 | 99.4 | 176.9 | -171.2 | 174 | 10.3 | 0 | 0 | 110 | V434 | V434-Q436 PolarHBondContact O-N 3.46Š| ||
| 437 | T | 44.5 | Very low | 39 | Very low | 95 Ų | 95 | 125.1 Ų | 125.1 | 58% | 0.583 | 74% | 0.739 | S | S | * | * | trans | -74.8 | 134.9 | 172.1 | 47.5 | 0 | 0 | 0 | 0 | 110.5 | I435 | I435-T437 PolarHBondContact O-N 3.14Š| ||
| 438 | I | 37.4 | Very low | 39.9 | Very low | 155 Ų | 155 | 124.9 Ų | 124.9 | 80% | 0.795 | 73% | 0.732 | S | S | * | * | trans | -76.8 | 129.8 | 174.3 | -59.1 | 174 | 0 | 0 | 0 | 107.8 | T440 | I438-T440 PolarHBondContact O-N 3.19Š| ||
| 439 | P | 35.1 | Very low | 40.4 | Very low | 84 Ų | 84 | 123.1 Ų | 123.1 | 55% | 0.545 | 73% | 0.725 | S | S | . | * | trans | -70.7 | 113.7 | 179.3 | 27.7 | -33.7 | 0 | 0 | 0 | 110.9 | V441 | P439-V441 PolarHBondContact O-N 3.34Š| ||
| 440 | T | 41.5 | Very low | 41.1 | Very low | 131 Ų | 131 | 124.3 Ų | 124.3 | 80% | 0.804 | 73% | 0.726 | S | S | * | * | trans | -73.4 | 107.1 | 165.7 | -62 | 0 | 0 | 0 | 0 | 108.8 | I438 | I438-T440 PolarHBondContact O-N 3.19Š| ||
| 441 | V | 40.2 | Very low | 41.7 | Very low | 110 Ų | 110 | 128.4 Ų | 128.4 | 67% | 0.667 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 120.6 | 166.1 | -70 | 0 | 0 | 0 | 0 | 109.3 | P439 | P439-V441 PolarHBondContact O-N 3.34Š|
| 442 | M | 46 | Very low | 42.5 | Very low | 158 Ų | 158 | 130 Ų | 130 | 78% | 0.778 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -98 | 125.1 | 166.3 | -100 | -148.7 | 69.4 | 0 | 0 | 109.2 | ||
| 443 | P | 41.2 | Very low | 43.3 | Very low | 112 Ų | 112 | 126.7 Ų | 126.7 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 123.4 | 160.2 | 30.5 | -29.8 | 0 | 0 | 0 | 108.4 | ||
| 444 | A | 43.2 | Very low | 43.2 | Very low | 89 Ų | 89 | 128.1 Ų | 128.1 | 74% | 0.736 | 73% | 0.729 | S | S | * | * | trans | -102.5 | 106.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | T446 | A444-T446 PolarHBondContact O-N 3.31Å; A444-T446 VanDerWaalsContact O-N 3.14Å | ||
| 445 | S | 42.3 | Very low | 43.6 | Very low | 125 Ų | 125 | 131.4 Ų | 131.4 | 87% | 0.874 | 74% | 0.737 | S | S | * | * | trans | -79 | 95 | 178.5 | 57.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 446 | T | 45.9 | Very low | 43.6 | Very low | 123 Ų | 123 | 132 Ų | 132 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | trans | -90.7 | 139.7 | 148.9 | 46.5 | 0 | 0 | 0 | 0 | 108.5 | A444 | A444-T446 PolarHBondContact O-N 3.31Å; A444-T446 VanDerWaalsContact O-N 3.14Å | ||
| 447 | E | 46.7 | Very low | 44 | Very low | 168 Ų | 168 | 126.5 Ų | 126.5 | 79% | 0.785 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -51.9 | 139.5 | 173.6 | -158.9 | -174.4 | 103.5 | 0 | 0 | 111 | ||
| 448 | N | 51 | Low | 43.8 | Very low | 143 Ų | 143 | 131.4 Ų | 131.4 | 77% | 0.765 | 75% | 0.747 | S | S | * | * | S | Bend | trans | 71.8 | 78.3 | 175.6 | -48.7 | -53.4 | 0 | 0 | 0 | 117.5 | ||
| 449 | G | 47.4 | Very low | 44.2 | Very low | 69 Ų | 69 | 129.8 Ų | 129.8 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | trans | 109.5 | 109.6 | 149.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | K451 | G449-K451 PolarHBondContact O-N 2.99Š| ||
| 450 | D | 49.6 | Very low | 44.6 | Very low | 162 Ų | 162 | 132.7 Ų | 132.7 | 87% | 0.866 | 75% | 0.748 | S | S | * | * | trans | -70.9 | 90.1 | -178.1 | -78.6 | -54.5 | 0 | 0 | 0 | 114.3 | ||||
| 451 | K | 49 | Very low | 44.6 | Very low | 170 Ų | 170 | 131.2 Ų | 131.2 | 74% | 0.739 | 74% | 0.739 | S | S | * | * | trans | -95.7 | 86.7 | 165.4 | -174.6 | 173.8 | 171.7 | -69.8 | 0 | 111.2 | G449 T453 | G449-K451 PolarHBondContact O-N 2.99Å; K451-T453 PolarHBondContact O-N 2.97Å; K451-T453 VanDerWaalsContact O-N 3.13Å | ||
| 452 | I | 49.8 | Very low | 45.1 | Very low | 151 Ų | 151 | 130.6 Ų | 130.6 | 77% | 0.774 | 73% | 0.731 | S | S | * | * | trans | -59.7 | 113.9 | 179.5 | -55.5 | 174.3 | 0 | 0 | 0 | 111.1 | ||||
| 453 | T | 46.4 | Very low | 45.2 | Very low | 101 Ų | 101 | 126.8 Ų | 126.8 | 62% | 0.62 | 72% | 0.718 | S | S | * | * | trans | -110.2 | 105.2 | 172.4 | 52.6 | 0 | 0 | 0 | 0 | 111.2 | K451 | K451-T453 PolarHBondContact O-N 2.97Å; K451-T453 VanDerWaalsContact O-N 3.13Å | ||
| 454 | M | 39.6 | Very low | 45.5 | Very low | 142 Ų | 142 | 124.6 Ų | 124.6 | 70% | 0.7 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 128.1 | 170 | -68.7 | -168.1 | 71.8 | 0 | 0 | 110.8 | ||
| 455 | Q | 43.2 | Very low | 45.8 | Very low | 176 Ų | 176 | 125.5 Ų | 125.5 | 82% | 0.822 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 134.8 | 165.8 | -66.8 | -161.8 | 8.9 | 0 | 0 | 110.7 | ||
| 456 | P | 41.5 | Very low | 46 | Very low | 127 Ų | 127 | 125.1 Ų | 125.1 | 83% | 0.825 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 129.7 | 176.1 | 29.4 | -33.4 | 0 | 0 | 0 | 111.1 | K458 | P456-K458 PolarHBondContact O-N 3.25Š|
| 457 | A | 43.3 | Very low | 46.3 | Very low | 65 Ų | 65 | 123.9 Ų | 123.9 | 54% | 0.537 | 68% | 0.679 | S | S | . | * | P | Polyproline II helix | trans | -69.5 | 127.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112 | I459 | A457-I459 PolarHBondContact O-N 3.13Š|
| 458 | K | 39.3 | Very low | 46.5 | Very low | 198 Ų | 198 | 118.7 Ų | 118.7 | 86% | 0.861 | 66% | 0.664 | S | S | * | * | trans | -78.7 | 105.5 | 178.8 | -164.5 | 172 | -173.1 | 174.9 | 0 | 110.3 | P456 I460 | P456-K458 PolarHBondContact O-N 3.25Å; K458-I460 PolarHBondContact O-N 3.04Å; K458-I460 VanDerWaalsContact O-N 3.12Å | ||
| 459 | I | 45.1 | Very low | 46.3 | Very low | 122 Ų | 122 | 118.8 Ų | 118.8 | 63% | 0.626 | 66% | 0.66 | S | S | * | * | trans | -67 | 108.6 | -177.1 | -56.4 | 174.8 | 0 | 0 | 0 | 110.4 | A457 T461 | A457-I459 PolarHBondContact O-N 3.13Å; I459-T461 PolarHBondContact O-N 3.21Å | ||
| 460 | I | 44.4 | Very low | 46.2 | Very low | 144 Ų | 144 | 119.1 Ų | 119.1 | 74% | 0.738 | 65% | 0.65 | S | S | * | * | trans | -79.1 | 100.4 | 174.3 | -56.3 | 178.4 | 0 | 0 | 0 | 108.8 | K458 I462 | K458-I460 PolarHBondContact O-N 3.04Å; K458-I460 VanDerWaalsContact O-N 3.12Å; I460-I462 HydrophobicContact CG2-CG1 4.19Å; I460-I462 PolarHBondContact O-N 3.31Å | ||
| 461 | T | 41.9 | Very low | 46.1 | Very low | 100 Ų | 100 | 118 Ų | 118 | 61% | 0.613 | 64% | 0.64 | S | S | * | * | trans | -84.1 | 107.6 | 171.8 | -58.7 | 0 | 0 | 0 | 0 | 109.5 | I459 P463 | I459-T461 PolarHBondContact O-N 3.21Å; T461-P463 WeakPolarHBondContact O-CD 3.49Å | ||
| 462 | I | 50 | Low | 45.8 | Very low | 98 Ų | 98 | 117.2 Ų | 117.2 | 50% | 0.503 | 64% | 0.643 | S | S | . | * | trans | -83.1 | 123.9 | 175.7 | -57.4 | 177.8 | 0 | 0 | 0 | 109.3 | I460 | I460-I462 HydrophobicContact CG2-CG1 4.19Å; I460-I462 PolarHBondContact O-N 3.31Å | ||
| 463 | P | 48.5 | Very low | 45.4 | Very low | 77 Ų | 77 | 119 Ų | 119 | 50% | 0.5 | 65% | 0.648 | S | S | . | * | trans | -64.9 | 135.1 | 174.5 | -21.9 | 34.4 | 0 | 0 | 0 | 112 | T461 T465 Q466 | T461-P463 WeakPolarHBondContact O-CD 3.49Å; P463-T465 PolarHBondContact O-N 2.94Å; P463-Q466 PolarHBondContact O-N 3.47Å; P463-Q466 VanDerWaalsContact O-N 3.09Å | ||
| 464 | A | 48.2 | Very low | 45.3 | Very low | 66 Ų | 66 | 119.9 Ų | 119.9 | 55% | 0.545 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -57.9 | -23.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q466 L467 | A464-Q466 VanDerWaalsContact C-N 3.32Å; A464-Q466 PolarHBondContact O-N 3.27Å; A464-L467 PolarHBondContact O-N 3.02Å |
| 465 | T | 48.1 | Very low | 45 | Very low | 108 Ų | 108 | 123.1 Ų | 123.1 | 66% | 0.663 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -61.5 | -33.1 | 176.1 | 41.3 | 0 | 0 | 0 | 0 | 113.7 | P463 | P463-T465 PolarHBondContact O-N 2.94Å |
| 466 | Q | 47.3 | Very low | 44.6 | Very low | 118 Ų | 118 | 120.3 Ų | 120.3 | 55% | 0.551 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -76.2 | -27.3 | 176.9 | -68.3 | -150.1 | -34.3 | 0 | 0 | 113 | P463 A464 A468 Q469 | P463-Q466 PolarHBondContact O-N 3.47Å; P463-Q466 VanDerWaalsContact O-N 3.09Å; A464-Q466 VanDerWaalsContact C-N 3.32Å; A464-Q466 PolarHBondContact O-N 3.27Å; Q466-A468 PolarHBondContact O-N 3.31Å; Q466-Q469 PolarHBondContact O-N 3.13Å |
| 467 | L | 52.2 | Low | 44.5 | Very low | 97 Ų | 97 | 122.2 Ų | 122.2 | 51% | 0.508 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -68.6 | -24.2 | 177.4 | -126.3 | 168.4 | 0 | 0 | 0 | 112.4 | A464 | A464-L467 PolarHBondContact O-N 3.02Å |
| 468 | A | 49.6 | Very low | 44.1 | Very low | 58 Ų | 58 | 127.4 Ų | 127.4 | 48% | 0.479 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -70.9 | -36.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q466 C470 Q471 | Q466-A468 PolarHBondContact O-N 3.31Å; A468-C470 VanDerWaalsContact C-N 3.35Å; A468-C470 PolarHBondContact O-N 3.11Å; A468-Q471 PolarHBondContact O-N 3.46Å |
| 469 | Q | 46.9 | Very low | 44.3 | Very low | 146 Ų | 146 | 125.2 Ų | 125.2 | 68% | 0.682 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -67.7 | -33.7 | -178.2 | -72.7 | -177.5 | -41.3 | 0 | 0 | 112.5 | Q466 Q471 L472 | Q466-Q469 PolarHBondContact O-N 3.13Å; Q469-Q471 PolarHBondContact O-N 3.45Å; Q469-L472 PolarHBondContact O-N 2.93Å |
| 470 | C | 45.4 | Very low | 43.8 | Very low | 75 Ų | 75 | 122.9 Ų | 122.9 | 51% | 0.507 | 69% | 0.694 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.9 | -17.6 | 178.4 | -68.7 | 0 | 0 | 0 | 0 | 114.4 | A468 | A468-C470 VanDerWaalsContact C-N 3.35Å; A468-C470 PolarHBondContact O-N 3.11Å |
| 471 | Q | 48.2 | Very low | 43.6 | Very low | 139 Ų | 139 | 122 Ų | 122 | 65% | 0.65 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | -14.7 | -177.1 | -66.2 | -170.4 | 45.2 | 0 | 0 | 114.2 | A468 Q469 Q473 | A468-Q471 PolarHBondContact O-N 3.46Å; Q469-Q471 PolarHBondContact O-N 3.45Å; Q471-Q473 PolarHBondContact O-N 3.2Å |
| 472 | L | 42.4 | Very low | 43.2 | Very low | 153 Ų | 153 | 121 Ų | 121 | 80% | 0.801 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -5.6 | -171.4 | -79.4 | 167.6 | 0 | 0 | 0 | 115.1 | Q469 | Q469-L472 PolarHBondContact O-N 2.93Š|
| 473 | Q | 42 | Very low | 42.7 | Very low | 188 Ų | 188 | 120.7 Ų | 120.7 | 88% | 0.879 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105 | 31.3 | -172.7 | -147.1 | 170.8 | 48.7 | 0 | 0 | 114.7 | Q471 | Q471-Q473 PolarHBondContact O-N 3.2Š|
| 474 | T | 43.7 | Very low | 42.3 | Very low | 120 Ų | 120 | 122.5 Ų | 122.5 | 74% | 0.736 | 72% | 0.721 | S | S | * | * | trans | -125.2 | 54.1 | 179.3 | 52.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 475 | K | 34.4 | Very low | 41.9 | Very low | 211 Ų | 211 | 125.8 Ų | 125.8 | 92% | 0.917 | 73% | 0.729 | S | S | * | * | trans | -152.4 | 48.6 | 172.8 | -119 | 157 | -166.4 | 168.6 | 0 | 117.1 | ||||
| 476 | S | 34.2 | Very low | 41.5 | Very low | 116 Ų | 116 | 127 Ų | 127 | 81% | 0.811 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -137.4 | 150.8 | 151.2 | 59.7 | 0 | 0 | 0 | 0 | 109.6 | L478 | S476-L478 PolarHBondContact O-N 3.25Š|
| 477 | N | 39.3 | Very low | 41.3 | Very low | 168 Ų | 168 | 128.8 Ų | 128.8 | 90% | 0.898 | 75% | 0.749 | S | S | * | * | trans | -84.5 | 103.4 | -167.4 | -69.3 | -24.3 | 0 | 0 | 0 | 112.2 | ||||
| 478 | L | 34.7 | Very low | 41 | Very low | 173 Ų | 173 | 127 Ų | 127 | 91% | 0.906 | 75% | 0.754 | S | S | * | * | trans | -160.4 | 146 | 156.6 | -110.2 | 151.2 | 0 | 0 | 0 | 110.8 | S476 G480 | S476-L478 PolarHBondContact O-N 3.25Å; L478-G480 PolarHBondContact O-N 3.39Å | ||
| 479 | T | 43.6 | Very low | 40.4 | Very low | 153 Ų | 153 | 130.1 Ų | 130.1 | 94% | 0.939 | 77% | 0.767 | S | S | * | * | trans | -79.6 | 103.2 | -175.8 | -21.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 480 | G | 34 | Very low | 39.8 | Very low | 73 Ų | 73 | 128.6 Ų | 128.6 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | trans | -153.6 | 144.9 | -179 | 0 | 0 | 0 | 0 | 0 | 113.3 | L478 | L478-G480 PolarHBondContact O-N 3.39Š| ||
| 481 | S | 39.9 | Very low | 39.3 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | trans | -86.9 | 109.1 | 175 | -176.1 | 0 | 0 | 0 | 0 | 109.6 | S483 | S481-S483 PolarHBondContact O-N 3.13Š| ||
| 482 | G | 35.1 | Very low | 38.8 | Very low | 79 Ų | 79 | 130.4 Ų | 130.4 | 81% | 0.814 | 79% | 0.793 | S | S | * | * | trans | -73.8 | 110.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 483 | S | 39.5 | Very low | 38.5 | Very low | 92 Ų | 92 | 128.6 Ų | 128.6 | 64% | 0.643 | 79% | 0.788 | S | S | * | * | trans | -89.5 | 123.2 | 172.2 | 48.2 | 0 | 0 | 0 | 0 | 111.1 | S481 N485 | S481-S483 PolarHBondContact O-N 3.13Å; S483-N485 PolarHBondContact O-N 3.12Å | ||
| 484 | I | 39.9 | Very low | 38.2 | Very low | 115 Ų | 115 | 130.8 Ų | 130.8 | 59% | 0.59 | 79% | 0.788 | S | S | * | * | trans | -83.2 | 112.9 | 171.2 | -53.7 | 170.1 | 0 | 0 | 0 | 107.6 | ||||
| 485 | N | 38.8 | Very low | 37.8 | Very low | 135 Ų | 135 | 129.4 Ų | 129.4 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | -91.7 | 112.3 | 172.9 | -75.5 | -62.8 | 0 | 0 | 0 | 110.3 | S483 | S483-N485 PolarHBondContact O-N 3.12Š| ||
| 486 | I | 40 | Very low | 37.7 | Very low | 135 Ų | 135 | 127 Ų | 127 | 69% | 0.692 | 79% | 0.785 | S | S | * | * | trans | -110.1 | 145.9 | 157.3 | -66.8 | 175.1 | 0 | 0 | 0 | 106.1 | G488 | I486-G488 PolarHBondContact O-N 3.27Å; I486-G488 VanDerWaalsContact O-N 3.11Å | ||
| 487 | V | 43.8 | Very low | 37.6 | Very low | 154 Ų | 154 | 127 Ų | 127 | 93% | 0.933 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -59 | 115.2 | -169.1 | 179.7 | 0 | 0 | 0 | 0 | 111.4 | ||
| 488 | G | 46 | Very low | 37.2 | Very low | 59 Ų | 59 | 125.2 Ų | 125.2 | 61% | 0.608 | 78% | 0.778 | S | S | * | * | S | Bend | trans | 102.7 | 94.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | I486 | I486-G488 PolarHBondContact O-N 3.27Å; I486-G488 VanDerWaalsContact O-N 3.11Å |
| 489 | T | 37.4 | Very low | 37 | Very low | 125 Ų | 125 | 122.4 Ų | 122.4 | 77% | 0.767 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 68.1 | 135.8 | 173.4 | 69.7 | 0 | 0 | 0 | 0 | 117.3 | ||
| 490 | P | 34 | Very low | 36.7 | Very low | 114 Ų | 114 | 121 Ų | 121 | 74% | 0.74 | 77% | 0.765 | S | S | * | * | trans | -84.2 | 120 | -178.5 | 32.2 | -33.7 | 0 | 0 | 0 | 112.5 | ||||
| 491 | L | 34.8 | Very low | 36.8 | Very low | 149 Ų | 149 | 124 Ų | 124 | 78% | 0.78 | 76% | 0.762 | S | S | * | * | trans | -83.4 | 122 | 171.2 | -124.2 | 81.7 | 0 | 0 | 0 | 111.2 | V493 | L491-V493 VanDerWaalsContact C-N 3.32Å; L491-V493 HydrophobicContact CB-CG2 4.43Å; L491-V493 PolarHBondContact O-N 3.46Å | ||
| 492 | A | 36.9 | Very low | 36.4 | Very low | 103 Ų | 103 | 122.7 Ų | 122.7 | 85% | 0.851 | 76% | 0.758 | S | S | * | * | trans | -78.4 | 73.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R494 | A492-R494 PolarHBondContact O-N 3.42Š| ||
| 493 | V | 35.9 | Very low | 36.4 | Very low | 115 Ų | 115 | 128.1 Ų | 128.1 | 70% | 0.697 | 76% | 0.762 | S | S | * | * | trans | -71.1 | 98.9 | 176.8 | -175.4 | 0 | 0 | 0 | 0 | 110.2 | L491 A495 | L491-V493 VanDerWaalsContact C-N 3.32Å; L491-V493 HydrophobicContact CB-CG2 4.43Å; L491-V493 PolarHBondContact O-N 3.46Å; V493-A495 PolarHBondContact O-N 3.23Å | ||
| 494 | R | 36.5 | Very low | 36.2 | Very low | 233 Ų | 233 | 127 Ų | 127 | 88% | 0.879 | 77% | 0.765 | S | S | * | * | trans | -78.5 | 86.5 | 177.4 | -157.3 | 176.5 | -159.1 | 159.6 | 4.9 | 110.2 | A492 L496 | A492-R494 PolarHBondContact O-N 3.42Å; R494-L496 PolarHBondContact O-N 3.33Å; R494-L496 VanDerWaalsContact O-N 3.13Å | ||
| 495 | A | 34.2 | Very low | 35.6 | Very low | 91 Ų | 91 | 128.2 Ų | 128.2 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 116.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | V493 | V493-A495 PolarHBondContact O-N 3.23Š|
| 496 | L | 33 | Very low | 35.4 | Very low | 160 Ų | 160 | 127.7 Ų | 127.7 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 139.2 | 169.4 | -67.1 | 175.2 | 0 | 0 | 0 | 108.8 | R494 | R494-L496 PolarHBondContact O-N 3.33Å; R494-L496 VanDerWaalsContact O-N 3.13Å |
| 497 | T | 31.3 | Very low | 35 | Very low | 118 Ų | 118 | 128 Ų | 128 | 72% | 0.724 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 132 | 174 | 47.6 | 0 | 0 | 0 | 0 | 109.7 | V499 | T497-V499 PolarHBondContact O-N 3.45Š|
| 498 | P | 31.7 | Very low | 34.3 | Very low | 130 Ų | 130 | 128.9 Ų | 128.9 | 84% | 0.844 | 79% | 0.786 | S | S | * | * | trans | -66.6 | 102.2 | -179.5 | 26.7 | -33.8 | 0 | 0 | 0 | 110.3 | S500 | P498-S500 PolarHBondContact O-N 3.49Š| ||
| 499 | V | 31.2 | Very low | 33.8 | Very low | 113 Ų | 113 | 137 Ų | 137 | 69% | 0.685 | 80% | 0.798 | S | S | * | * | trans | -72.8 | 118.7 | 170.1 | 176.4 | 0 | 0 | 0 | 0 | 107.8 | T497 I501 | T497-V499 PolarHBondContact O-N 3.45Å; V499-I501 HydrophobicContact CG1-CG1 4.14Å; V499-I501 PolarHBondContact O-N 3.11Å; V499-I501 VanDerWaalsContact O-N 3.13Å | ||
| 500 | S | 37.3 | Very low | 33.2 | Very low | 125 Ų | 125 | 138.3 Ų | 138.3 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | -73.3 | 101.5 | 173.1 | -169.6 | 0 | 0 | 0 | 0 | 109.2 | P498 | P498-S500 PolarHBondContact O-N 3.49Š| ||
| 501 | I | 35.4 | Very low | 33.1 | Very low | 136 Ų | 136 | 137.8 Ų | 137.8 | 70% | 0.697 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 125 | 179.7 | -64.1 | 173.9 | 0 | 0 | 0 | 109 | V499 | V499-I501 HydrophobicContact CG1-CG1 4.14Å; V499-I501 PolarHBondContact O-N 3.11Å; V499-I501 VanDerWaalsContact O-N 3.13Å |
| 502 | A | 32.6 | Very low | 33.1 | Very low | 95 Ų | 95 | 138.9 Ų | 138.9 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 146.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 503 | H | 35 | Very low | 32.9 | Very low | 194 Ų | 194 | 139.4 Ų | 139.4 | 90% | 0.898 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 142.4 | -174.3 | -64.8 | 103.7 | 0 | 0 | 0 | 113.4 | ||
| 504 | G | 35.3 | Very low | 32.8 | Very low | 68 Ų | 68 | 140.6 Ų | 140.6 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | trans | 114.9 | 98.3 | 139.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 505 | T | 27.2 | Very low | 32.7 | Very low | 141 Ų | 141 | 138.5 Ų | 138.5 | 87% | 0.865 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -169.1 | 164 | 132.9 | 15.7 | 0 | 0 | 0 | 0 | 108.7 | ||
| 506 | P | 34.2 | Very low | 32.6 | Very low | 124 Ų | 124 | 143.4 Ų | 143.4 | 81% | 0.805 | 81% | 0.811 | S | S | * | * | trans | -80.8 | 139.2 | -135.5 | 29.9 | -37.5 | 0 | 0 | 0 | 115.8 | ||||
| 507 | V | 31.1 | Very low | 32.7 | Very low | 140 Ų | 140 | 140.8 Ų | 140.8 | 85% | 0.848 | 81% | 0.813 | S | S | * | * | trans | -84.3 | 118.1 | 161 | 176.4 | 0 | 0 | 0 | 0 | 108.6 | R509 | V507-R509 PolarHBondContact O-N 3.23Š| ||
| 508 | M | 29.5 | Very low | 32.6 | Very low | 174 Ų | 174 | 141 Ų | 141 | 86% | 0.857 | 82% | 0.819 | S | S | * | * | trans | -72.8 | 109.6 | 172.5 | -169.8 | 171.3 | -176.3 | 0 | 0 | 109.7 | L510 | M508-L510 PolarHBondContact O-N 3.14Å; M508-L510 VanDerWaalsContact O-N 3.09Å | ||
| 509 | R | 35.5 | Very low | 32.5 | Very low | 230 Ų | 230 | 138.7 Ų | 138.7 | 87% | 0.868 | 82% | 0.819 | S | S | * | * | trans | -77.4 | 92.7 | -175 | -170.4 | -173.1 | -166.2 | 116.5 | -1.3 | 111.4 | V507 S511 | V507-R509 PolarHBondContact O-N 3.23Å; R509-S511 PolarHBondContact O-N 3.09Å; R509-S511 VanDerWaalsContact O-N 3.14Å | ||
| 510 | L | 25.2 | Very low | 32.5 | Very low | 152 Ų | 152 | 142.7 Ų | 142.7 | 80% | 0.796 | 83% | 0.83 | S | S | * | * | trans | -70.9 | 103.3 | 166.5 | -76.9 | 170.9 | 0 | 0 | 0 | 110.1 | M508 | M508-L510 PolarHBondContact O-N 3.14Å; M508-L510 VanDerWaalsContact O-N 3.09Å | ||
| 511 | S | 30.7 | Very low | 32.5 | Very low | 103 Ų | 103 | 143.1 Ų | 143.1 | 72% | 0.72 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 119 | 169.5 | 49.7 | 0 | 0 | 0 | 0 | 110.6 | R509 | R509-S511 PolarHBondContact O-N 3.09Å; R509-S511 VanDerWaalsContact O-N 3.14Å |
| 512 | M | 34.8 | Very low | 32.5 | Very low | 172 Ų | 172 | 142 Ų | 142 | 85% | 0.847 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 126.1 | 164.5 | -74.7 | -69.6 | 157.8 | 0 | 0 | 109.5 | T514 | M512-T514 PolarHBondContact O-N 3.49Š|
| 513 | P | 32.5 | Very low | 32.5 | Very low | 113 Ų | 113 | 143.8 Ų | 143.8 | 73% | 0.734 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 117 | 169.3 | 29.7 | -31.5 | 0 | 0 | 0 | 109.3 | Q515 | P513-Q515 PolarHBondContact O-N 3.2Š|
| 514 | T | 34.8 | Very low | 32.5 | Very low | 141 Ų | 141 | 145.9 Ų | 145.9 | 87% | 0.865 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 127.3 | 157.6 | 43.3 | 0 | 0 | 0 | 0 | 108.8 | M512 | M512-T514 PolarHBondContact O-N 3.49Š|
| 515 | Q | 33 | Very low | 32.1 | Very low | 189 Ų | 189 | 149.5 Ų | 149.5 | 88% | 0.883 | 84% | 0.841 | S | S | * | * | trans | -130.5 | 142.7 | 162.5 | -138.5 | 174.2 | 73.6 | 0 | 0 | 109.6 | P513 | P513-Q515 PolarHBondContact O-N 3.2Š| ||
| 516 | Q | 33 | Very low | 32.3 | Very low | 193 Ų | 193 | 150.1 Ų | 150.1 | 90% | 0.902 | 84% | 0.837 | S | S | * | * | trans | -81.6 | 158.5 | -170.4 | -70.1 | 158.5 | -98.7 | 0 | 0 | 111.7 | ||||
| 517 | A | 34.2 | Very low | 32 | Very low | 105 Ų | 105 | 149.4 Ų | 149.4 | 87% | 0.868 | 84% | 0.836 | S | S | * | * | trans | -81 | 144.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 518 | S | 29.9 | Very low | 32 | Very low | 123 Ų | 123 | 146.8 Ų | 146.8 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | trans | -160.2 | 154 | 152.6 | 61.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 519 | G | 29.6 | Very low | 32 | Very low | 81 Ų | 81 | 145.2 Ų | 145.2 | 84% | 0.835 | 83% | 0.828 | S | S | * | * | trans | 89.1 | 113.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 520 | Q | 32.3 | Very low | 31.9 | Very low | 197 Ų | 197 | 142 Ų | 142 | 92% | 0.921 | 83% | 0.826 | S | S | * | * | trans | -90.5 | 136.4 | 162.9 | -67.2 | 175.5 | -65.6 | 0 | 0 | 110.6 | ||||
| 521 | T | 36.3 | Very low | 32 | Very low | 135 Ų | 135 | 144 Ų | 144 | 83% | 0.828 | 83% | 0.829 | S | S | * | * | trans | -147.7 | 149.2 | 148.6 | 43.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 522 | P | 35.7 | Very low | 32.2 | Very low | 113 Ų | 113 | 142.2 Ų | 142.2 | 73% | 0.734 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -81 | 151.5 | -179 | 32.4 | -35.1 | 0 | 0 | 0 | 112.4 | R524 | P522-R524 PolarHBondContact O-N 3.35Š|
| 523 | P | 32.9 | Very low | 32.5 | Very low | 131 Ų | 131 | 140.3 Ų | 140.3 | 85% | 0.851 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 127.4 | -177.9 | 29.2 | -34.4 | 0 | 0 | 0 | 112.3 | ||
| 524 | R | 33.8 | Very low | 32.3 | Very low | 238 Ų | 238 | 143.2 Ų | 143.2 | 90% | 0.898 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 130 | 163.8 | -86.1 | 179.5 | 154.9 | -173.6 | -7.3 | 109.9 | P522 | P522-R524 PolarHBondContact O-N 3.35Š|
| 525 | V | 28.4 | Very low | 32.1 | Very low | 144 Ų | 144 | 143.1 Ų | 143.1 | 87% | 0.873 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 131.7 | 170 | -178.8 | 0 | 0 | 0 | 0 | 109 | ||
| 526 | I | 31.2 | Very low | 32 | Very low | 154 Ų | 154 | 142.5 Ų | 142.5 | 79% | 0.79 | 82% | 0.824 | S | S | * | * | trans | -117.3 | 119.2 | 170.4 | -60.2 | 178.1 | 0 | 0 | 0 | 107.4 | ||||
| 527 | S | 27.8 | Very low | 31.9 | Very low | 110 Ų | 110 | 138.5 Ų | 138.5 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | trans | -87.3 | 137.6 | 169.5 | -174.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 528 | A | 29.9 | Very low | 31.5 | Very low | 85 Ų | 85 | 142.4 Ų | 142.4 | 70% | 0.702 | 82% | 0.818 | S | S | * | * | trans | -125.4 | 107.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 529 | V | 31 | Very low | 31.5 | Very low | 140 Ų | 140 | 141.4 Ų | 141.4 | 85% | 0.848 | 82% | 0.818 | S | S | * | * | trans | -77.6 | 127.6 | 172.8 | 174.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 530 | I | 32.3 | Very low | 31.4 | Very low | 162 Ų | 162 | 144.2 Ų | 144.2 | 83% | 0.831 | 82% | 0.818 | S | S | * | * | trans | -106.8 | 133.1 | 173.2 | -62.2 | -178.9 | 0 | 0 | 0 | 109.2 | ||||
| 531 | K | 28 | Very low | 31.3 | Very low | 195 Ų | 195 | 138.8 Ų | 138.8 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 129.5 | -167.5 | -171.2 | 177.4 | -177.7 | 179.9 | 0 | 110.4 | ||
| 532 | G | 35.6 | Very low | 30.8 | Very low | 66 Ų | 66 | 141.9 Ų | 141.9 | 68% | 0.68 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 146.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 533 | P | 40 | Very low | 30.5 | Very low | 132 Ų | 132 | 144.5 Ų | 144.5 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -91 | 152.9 | 175.5 | 35.7 | -33.8 | 0 | 0 | 0 | 113.1 | ||
| 534 | E | 27.9 | Very low | 30.3 | Very low | 173 Ų | 173 | 144.4 Ų | 144.4 | 81% | 0.808 | 80% | 0.797 | S | S | * | * | trans | -117.4 | 134.9 | 172.9 | -178.3 | -160.2 | 130.1 | 0 | 0 | 109.6 | ||||
| 535 | V | 31 | Very low | 30 | Very low | 140 Ų | 140 | 140.6 Ų | 140.6 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | trans | -151.3 | 141.6 | 159 | -138.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 536 | K | 31.1 | Very low | 30.1 | Very low | 175 Ų | 175 | 142 Ų | 142 | 76% | 0.761 | 79% | 0.786 | S | S | * | * | trans | -83.3 | 171.7 | 159.5 | -64.1 | 178.6 | 177 | 174.9 | 0 | 109 | ||||
| 537 | S | 30.4 | Very low | 29.9 | Very low | 110 Ų | 110 | 139.9 Ų | 139.9 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | cis | -159.7 | 153 | 30.8 | -54 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 538 | E | 27.2 | Very low | 30.1 | Very low | 187 Ų | 187 | 140.6 Ų | 140.6 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | 26.1 | 122.4 | 138.9 | -162.7 | 173.8 | 124.4 | 0 | 0 | 122.7 | ||||
| 539 | A | 28.9 | Very low | 30.3 | Very low | 102 Ų | 102 | 144.7 Ų | 144.7 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | trans | -162.4 | 160.8 | 141.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 540 | V | 28.1 | Very low | 30.3 | Very low | 140 Ų | 140 | 144.7 Ų | 144.7 | 85% | 0.848 | 78% | 0.778 | S | S | * | * | trans | -119.1 | 136.1 | -166.6 | 170 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 541 | A | 29.3 | Very low | 30.4 | Very low | 82 Ų | 82 | 145.3 Ų | 145.3 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | trans | 176.2 | 133 | 134.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 542 | K | 27.2 | Very low | 30.3 | Very low | 200 Ų | 200 | 144.2 Ų | 144.2 | 87% | 0.87 | 78% | 0.78 | S | S | * | * | trans | 35.3 | 142.1 | 130 | -58.3 | 168.9 | -175.8 | 172.4 | 0 | 119.3 | ||||
| 543 | K | 28.2 | Very low | 29.9 | Very low | 168 Ų | 168 | 149.3 Ų | 149.3 | 73% | 0.73 | 79% | 0.791 | S | S | * | * | cis | -165.5 | 169.4 | 21.6 | -139.2 | -167.4 | -175.2 | -135.7 | 0 | 111 | ||||
| 544 | Q | 29.1 | Very low | 29.5 | Very low | 130 Ų | 130 | 148.4 Ų | 148.4 | 61% | 0.607 | 78% | 0.782 | S | S | * | * | trans | 17.7 | 148.9 | 141.8 | -100.9 | 161.8 | -56.5 | 0 | 0 | 121.1 | ||||
| 545 | E | 27.9 | Very low | 29.5 | Very low | 158 Ų | 158 | 149.3 Ų | 149.3 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | cis | -159.7 | 164.8 | 18.2 | -169.8 | 153.4 | 80.9 | 0 | 0 | 112 | ||||
| 546 | H | 30.6 | Very low | 29.4 | Very low | 174 Ų | 174 | 151.5 Ų | 151.5 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | trans | -143.7 | 126 | 163.3 | -158.2 | -71.1 | 0 | 0 | 0 | 110 | ||||
| 547 | D | 27 | Very low | 29.3 | Very low | 108 Ų | 108 | 151.5 Ų | 151.5 | 58% | 0.578 | 79% | 0.788 | S | S | * | * | trans | -75.5 | 129 | -179.9 | 179.2 | -127.2 | 0 | 0 | 0 | 111.4 | K549 | D547-K549 WeakPolarHBondContact OD1-CE 3.1Š| ||
| 548 | V | 32.5 | Very low | 30 | Very low | 126 Ų | 126 | 151.3 Ų | 151.3 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | trans | -145.5 | 124.8 | 157.6 | -177.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 549 | K | 34 | Very low | 30.3 | Very low | 171 Ų | 171 | 147 Ų | 147 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | trans | -87.1 | 135.6 | -173.8 | -62.5 | 159.8 | -171.7 | 166.7 | 0 | 111.7 | D547 | D547-K549 WeakPolarHBondContact OD1-CE 3.1Š| ||
| 550 | T | 30.7 | Very low | 30.4 | Very low | 139 Ų | 139 | 150.1 Ų | 150.1 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | trans | -134.7 | 139.5 | 158.5 | -65.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 551 | L | 33.4 | Very low | 30.8 | Very low | 175 Ų | 175 | 145.9 Ų | 145.9 | 92% | 0.916 | 77% | 0.767 | S | S | * | * | trans | -79.4 | 154.5 | -177.6 | -75.1 | 168.9 | 0 | 0 | 0 | 112.5 | ||||
| 552 | Q | 26.9 | Very low | 31.3 | Very low | 172 Ų | 172 | 150.2 Ų | 150.2 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -93.9 | 132.4 | -172 | -177.6 | 177 | -0.4 | 0 | 0 | 111.2 | ||||
| 553 | L | 27.2 | Very low | 31.6 | Very low | 174 Ų | 174 | 149.8 Ų | 149.8 | 91% | 0.911 | 78% | 0.777 | S | S | * | * | trans | -118.9 | 149.1 | 158.1 | -153 | 76.4 | 0 | 0 | 0 | 108.3 | ||||
| 554 | V | 30.7 | Very low | 32.2 | Very low | 112 Ų | 112 | 148.4 Ų | 148.4 | 68% | 0.679 | 78% | 0.783 | S | S | * | * | trans | -110.6 | 131.1 | -169.9 | 173.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 555 | E | 28.9 | Very low | 32.4 | Very low | 192 Ų | 192 | 147.5 Ų | 147.5 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | trans | -152.9 | -170 | 148.4 | -153.4 | 144 | 79.1 | 0 | 0 | 110.7 | ||||
| 556 | E | 27.3 | Very low | 32.7 | Very low | 186 Ų | 186 | 145.6 Ų | 145.6 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | trans | -88 | 168.1 | -145.2 | -133.7 | -172.2 | 134.6 | 0 | 0 | 117.8 | ||||
| 557 | K | 30.7 | Very low | 32.8 | Very low | 176 Ų | 176 | 145.1 Ų | 145.1 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | trans | -102.6 | 172.7 | 165.6 | -154 | -142 | 175.7 | -169.5 | 0 | 106.6 | ||||
| 558 | P | 44.7 | Very low | 33.2 | Very low | 106 Ų | 106 | 145.4 Ų | 145.4 | 69% | 0.688 | 79% | 0.789 | S | S | * | * | cis | -121.9 | 170.7 | -20 | 37.6 | -23.2 | 0 | 0 | 0 | 113.7 | ||||
| 559 | A | 32.7 | Very low | 33.2 | Very low | 95 Ų | 95 | 145.1 Ų | 145.1 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | -178.8 | 160 | 127.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 560 | D | 32.1 | Very low | 33.1 | Very low | 168 Ų | 168 | 142.9 Ų | 142.9 | 90% | 0.898 | 79% | 0.787 | S | S | * | * | trans | -54.2 | 172.4 | -177.8 | -64.3 | -96.5 | 0 | 0 | 0 | 117.6 | ||||
| 561 | G | 36.5 | Very low | 33.3 | Very low | 51 Ų | 51 | 142.3 Ų | 142.3 | 53% | 0.526 | 78% | 0.783 | S | S | . | * | trans | 115.7 | 76.8 | 156.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | K563 | G561-K563 WeakPolarHBondContact O-CG 3.23Š| ||
| 562 | N | 39.7 | Very low | 33.1 | Very low | 174 Ų | 174 | 139.4 Ų | 139.4 | 93% | 0.93 | 78% | 0.777 | S | S | * | * | trans | 10.5 | 106.9 | 151.2 | -57.5 | -9.8 | 0 | 0 | 0 | 116.9 | ||||
| 563 | K | 33.3 | Very low | 33.6 | Very low | 190 Ų | 190 | 135.1 Ų | 135.1 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | trans | -122.8 | 120.7 | 171.6 | -57.9 | -177.3 | -174.2 | 175.3 | 0 | 110 | G561 | G561-K563 WeakPolarHBondContact O-CG 3.23Š| ||
| 564 | T | 41 | Very low | 34.4 | Very low | 139 Ų | 139 | 133 Ų | 133 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | trans | -69.3 | 130.7 | 173.2 | 33.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 565 | V | 32 | Very low | 34.5 | Very low | 112 Ų | 112 | 133.9 Ų | 133.9 | 68% | 0.679 | 78% | 0.78 | S | S | * | * | trans | -96.7 | 98.8 | 178.2 | -179.3 | 0 | 0 | 0 | 0 | 109.7 | H567 | V565-H567 PolarHBondContact O-N 3.35Š| ||
| 566 | T | 34.3 | Very low | 34.8 | Very low | 117 Ų | 117 | 129 Ų | 129 | 72% | 0.718 | 77% | 0.771 | S | S | * | * | trans | -77 | 102.8 | 173.4 | -52.4 | 0 | 0 | 0 | 0 | 109.9 | V568 | T566-V568 HydrophobicContact CG2-CG2 4.17Å; T566-V568 PolarHBondContact O-N 3.24Å | ||
| 567 | H | 33.4 | Very low | 35.2 | Very low | 164 Ų | 164 | 127.9 Ų | 127.9 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | trans | -75.7 | 91.9 | 173.3 | -77.6 | -81.2 | 0 | 0 | 0 | 111.2 | V565 V569 | V565-H567 PolarHBondContact O-N 3.35Å; H567-V569 PolarHBondContact O-N 3.41Å | ||
| 568 | V | 34.1 | Very low | 35.4 | Very low | 115 Ų | 115 | 124.2 Ų | 124.2 | 70% | 0.697 | 77% | 0.773 | S | S | * | * | trans | -76.5 | 110 | 170.5 | -177.4 | 0 | 0 | 0 | 0 | 109.3 | T566 V570 | T566-V568 HydrophobicContact CG2-CG2 4.17Å; T566-V568 PolarHBondContact O-N 3.24Å; V568-V570 HydrophobicContact CG1-CG2 4.02Å; V568-V570 PolarHBondContact O-N 3.01Å | ||
| 569 | V | 33.1 | Very low | 34.8 | Very low | 120 Ų | 120 | 126.5 Ų | 126.5 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | -92 | 98.7 | 174.2 | -176.5 | 0 | 0 | 0 | 0 | 109.3 | H567 V571 | H567-V569 PolarHBondContact O-N 3.41Å; V569-V571 HydrophobicContact CG1-CG2 4.1Å; V569-V571 PolarHBondContact O-N 3.09Å | ||
| 570 | V | 31.9 | Very low | 35.3 | Very low | 124 Ų | 124 | 127.7 Ų | 127.7 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | trans | -79.8 | 97 | 174 | -176.4 | 0 | 0 | 0 | 0 | 109.5 | V568 S572 | V568-V570 HydrophobicContact CG1-CG2 4.02Å; V568-V570 PolarHBondContact O-N 3.01Å; V570-S572 PolarHBondContact O-N 3.09Å | ||
| 571 | V | 34.9 | Very low | 35.4 | Very low | 126 Ų | 126 | 125.8 Ų | 125.8 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | trans | -79.2 | 103.4 | 169.4 | -177.8 | 0 | 0 | 0 | 0 | 108.5 | V569 A573 | V569-V571 HydrophobicContact CG1-CG2 4.1Å; V569-V571 PolarHBondContact O-N 3.09Å; V571-A573 PolarHBondContact O-N 2.9Å | ||
| 572 | S | 29.1 | Very low | 35.3 | Very low | 114 Ų | 114 | 129.7 Ų | 129.7 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | -78.1 | 120.6 | 177.5 | -170 | 0 | 0 | 0 | 0 | 111 | V570 | V570-S572 PolarHBondContact O-N 3.09Š| ||
| 573 | A | 37.3 | Very low | 35.1 | Very low | 83 Ų | 83 | 129.7 Ų | 129.7 | 69% | 0.686 | 78% | 0.782 | S | S | * | * | trans | -110.1 | 135.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | V571 | V571-A573 PolarHBondContact O-N 2.9Š| ||
| 574 | P | 44.4 | Very low | 35.1 | Very low | 129 Ų | 129 | 130 Ų | 130 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | trans | -80.9 | 128.7 | -177 | 31.7 | -33.6 | 0 | 0 | 0 | 111.9 | ||||
| 575 | S | 32.5 | Very low | 35.1 | Very low | 131 Ų | 131 | 130 Ų | 130 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | trans | -142.5 | 160 | 165 | -86.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 576 | A | 35.1 | Very low | 35.1 | Very low | 88 Ų | 88 | 133.6 Ų | 133.6 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | -111.3 | 158.9 | -152 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 577 | I | 36.8 | Very low | 35.3 | Very low | 164 Ų | 164 | 131.4 Ų | 131.4 | 84% | 0.841 | 79% | 0.794 | S | S | * | * | trans | 60.7 | 111.1 | 156.3 | -59.7 | 154.4 | 0 | 0 | 0 | 116.4 | ||||
| 578 | A | 33.4 | Very low | 35.4 | Very low | 99 Ų | 99 | 131.5 Ų | 131.5 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -135.3 | 145.3 | 157 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 579 | L | 32.8 | Very low | 35.8 | Very low | 153 Ų | 153 | 132.5 Ų | 132.5 | 80% | 0.801 | 81% | 0.805 | S | S | * | * | trans | -84.3 | 148.7 | -177 | -67 | 165.2 | 0 | 0 | 0 | 111.5 | V581 | L579-V581 PolarHBondContact O-N 3.34Š| ||
| 580 | P | 43.6 | Very low | 36.1 | Very low | 120 Ų | 120 | 132.1 Ų | 132.1 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | trans | -75.5 | 106.4 | 177 | 30.2 | -33.4 | 0 | 0 | 0 | 111.5 | ||||
| 581 | V | 33.5 | Very low | 36.3 | Very low | 129 Ų | 129 | 132 Ų | 132 | 78% | 0.782 | 81% | 0.806 | S | S | * | * | trans | -83 | 118.4 | 167.3 | 175.5 | 0 | 0 | 0 | 0 | 109.2 | L579 M583 | L579-V581 PolarHBondContact O-N 3.34Å; V581-M583 PolarHBondContact O-N 3.46Å | ||
| 582 | T | 35.4 | Very low | 36.5 | Very low | 132 Ų | 132 | 133.8 Ų | 133.8 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | trans | -79.8 | 101.2 | 177.6 | 52.4 | 0 | 0 | 0 | 0 | 111.1 | K584 | T582-K584 PolarHBondContact O-N 3.5Š| ||
| 583 | M | 34.5 | Very low | 37 | Very low | 175 Ų | 175 | 140.1 Ų | 140.1 | 86% | 0.862 | 82% | 0.82 | S | S | * | * | trans | -77 | 121.1 | 167.1 | -63.1 | -165.4 | 77.6 | 0 | 0 | 109.8 | V581 | V581-M583 PolarHBondContact O-N 3.46Š| ||
| 584 | K | 33.5 | Very low | 37 | Very low | 197 Ų | 197 | 143 Ų | 143 | 86% | 0.857 | 83% | 0.826 | S | S | * | * | trans | -92.7 | 106.6 | -179.3 | -174.8 | -177.3 | -178.6 | -174.6 | 0 | 109.2 | T582 | T582-K584 PolarHBondContact O-N 3.5Š| ||
| 585 | T | 40.5 | Very low | 36.6 | Very low | 138 Ų | 138 | 143.7 Ų | 143.7 | 85% | 0.847 | 83% | 0.826 | S | S | * | * | trans | -69.1 | 134.8 | 178.9 | -34.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 586 | E | 33.5 | Very low | 36.8 | Very low | 187 Ų | 187 | 144.4 Ų | 144.4 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | trans | -86.8 | 121.6 | -174.9 | -57.7 | -171.4 | 151.2 | 0 | 0 | 111.2 | ||||
| 587 | G | 38.1 | Very low | 36.9 | Very low | 71 Ų | 71 | 147.7 Ų | 147.7 | 73% | 0.732 | 83% | 0.826 | S | S | * | * | trans | -98.6 | 107.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 588 | L | 34.4 | Very low | 36.9 | Very low | 166 Ų | 166 | 146.7 Ų | 146.7 | 87% | 0.869 | 83% | 0.825 | S | S | * | * | trans | -67.6 | 126.3 | 173.3 | -175.4 | 74.4 | 0 | 0 | 0 | 110.7 | ||||
| 589 | V | 42.4 | Very low | 37.2 | Very low | 137 Ų | 137 | 149.9 Ų | 149.9 | 83% | 0.83 | 83% | 0.826 | S | S | * | * | trans | -131.1 | 137.6 | 170.9 | -178.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 590 | T | 39.3 | Very low | 37.5 | Very low | 111 Ų | 111 | 149.6 Ų | 149.6 | 68% | 0.681 | 83% | 0.827 | S | S | * | * | trans | -107.2 | 128.3 | -169.2 | 49.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 591 | C | 36.8 | Very low | 37 | Very low | 122 Ų | 122 | 151.9 Ų | 151.9 | 82% | 0.824 | 83% | 0.831 | S | S | * | * | trans | 56.9 | 153.9 | 141.1 | -61.4 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 592 | E | 38.5 | Very low | 37.3 | Very low | 164 Ų | 164 | 153.8 Ų | 153.8 | 77% | 0.766 | 84% | 0.835 | S | S | * | * | trans | 64.4 | 138 | 179.1 | -81.6 | -167 | 87 | 0 | 0 | 116.5 | ||||
| 593 | K | 40.5 | Very low | 37.5 | Very low | 246 Ų | 246 | 155.8 Ų | 155.8 | 100% | 1.07 | 84% | 0.837 | S | S | * | * | cis | -144 | 0 | 7.6 | -163.8 | -179.4 | -161.8 | 93.8 | 0 | 112.1 |
Retrieved 593 of 593 residues in 224.4 ms
(Link to these results)