| 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 | 42.1 | Very low | 45.2 | Very low | 217 Ų | 217 | 143.3 Ų | 143.3 | 100% | 1.069 | 75% | 0.748 | S | S | * | * | 0 | 115.1 | 0 | -67.3 | 94.5 | 174.8 | 0 | 0 | 107.1 | |||||
| 2 | E | 40.2 | Very low | 45.1 | Very low | 171 Ų | 171 | 146 Ų | 146 | 80% | 0.799 | 76% | 0.758 | S | S | * | * | 91 | 133 | 96.7 | -71.4 | -173.6 | 117.1 | 0 | 0 | 112 | |||||
| 3 | T | 46.5 | Very low | 45 | Very low | 93 Ų | 93 | 140.8 Ų | 140.8 | 57% | 0.571 | 76% | 0.762 | S | S | * | * | cis | -166.1 | 140.2 | -13.5 | 12.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 4 | K | 46.3 | Very low | 44.8 | Very low | 196 Ų | 196 | 140.8 Ų | 140.8 | 85% | 0.852 | 76% | 0.761 | S | S | * | * | trans | 64.2 | 168 | 150.3 | -60.3 | 162.2 | -173.1 | 171 | 0 | 114.5 | ||||
| 5 | A | 49.7 | Very low | 44.8 | Very low | 84 Ų | 84 | 143.7 Ų | 143.7 | 69% | 0.694 | 77% | 0.767 | S | S | * | * | cis | -159.4 | 163.3 | -9.3 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 6 | N | 48 | Very low | 44.4 | Very low | 134 Ų | 134 | 140.8 Ų | 140.8 | 72% | 0.717 | 76% | 0.762 | S | S | * | * | cis | -151.6 | 168 | -3.7 | -117.9 | 40.5 | 0 | 0 | 0 | 107.6 | ||||
| 7 | D | 45.3 | Very low | 44.4 | Very low | 115 Ų | 115 | 141.5 Ų | 141.5 | 62% | 0.615 | 76% | 0.763 | S | S | * | * | 54.2 | 131.7 | 80.5 | -133.9 | 10.5 | 0 | 0 | 0 | 113.5 | |||||
| 8 | V | 47.4 | Very low | 44 | Very low | 115 Ų | 115 | 140.2 Ų | 140.2 | 70% | 0.697 | 77% | 0.767 | S | S | * | * | cis | -148.5 | 125.7 | 40.2 | 174.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 9 | Q | 42 | Very low | 43.9 | Very low | 158 Ų | 158 | 136.9 Ų | 136.9 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | 55.7 | 137.9 | 93.6 | -92.7 | -171.5 | -0.4 | 0 | 0 | 117.1 | |||||
| 10 | T | 45.2 | Very low | 43.7 | Very low | 115 Ų | 115 | 139.6 Ų | 139.6 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | cis | -136.8 | -113.7 | -13.6 | -32.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 11 | K | 44.4 | Very low | 43.8 | Very low | 178 Ų | 178 | 137.5 Ų | 137.5 | 77% | 0.774 | 77% | 0.767 | S | S | * | * | cis | -163.2 | 119.8 | -5.7 | -159.2 | 170.3 | -173.8 | 179 | 0 | 113.7 | ||||
| 12 | M | 44.4 | Very low | 43.6 | Very low | 176 Ų | 176 | 134.2 Ų | 134.2 | 87% | 0.867 | 75% | 0.754 | S | S | * | * | trans | 49.5 | 137.3 | 147.4 | -52.6 | -78.6 | -89.6 | 0 | 0 | 122.2 | ||||
| 13 | G | 43.9 | Very low | 43.4 | Very low | 78 Ų | 78 | 131 Ų | 131 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | 162.7 | 73.1 | 160.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 14 | D | 41.9 | Very low | 43 | Very low | 141 Ų | 141 | 132 Ų | 132 | 75% | 0.754 | 76% | 0.756 | S | S | * | * | trans | -85.2 | 174.6 | 179.8 | -72.3 | -69.7 | 0 | 0 | 0 | 115.2 | ||||
| 15 | H | 44.7 | Very low | 42.6 | Very low | 184 Ų | 184 | 129.3 Ų | 129.3 | 85% | 0.852 | 75% | 0.751 | S | S | * | * | trans | 109.7 | 147.9 | 159.6 | -53.4 | -34.8 | 0 | 0 | 0 | 116.8 | ||||
| 16 | S | 39 | Very low | 41.9 | Very low | 97 Ų | 97 | 135.2 Ų | 135.2 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | cis | 173.5 | 159.1 | -38.2 | -108.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 17 | I | 43.9 | Very low | 41.4 | Very low | 154 Ų | 154 | 134.9 Ų | 134.9 | 79% | 0.79 | 75% | 0.753 | S | S | * | * | trans | 77.1 | 98.5 | 152.6 | -66.1 | 157.3 | 0 | 0 | 0 | 119.6 | ||||
| 18 | S | 37.7 | Very low | 41 | Very low | 118 Ų | 118 | 135.8 Ų | 135.8 | 83% | 0.825 | 76% | 0.757 | S | S | * | * | trans | 46.2 | 141.7 | 132.9 | 76 | 0 | 0 | 0 | 0 | 125 | ||||
| 19 | G | 40.6 | Very low | 40.4 | Very low | 77 Ų | 77 | 140.4 Ų | 140.4 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | trans | -158.7 | 137.6 | 154.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 20 | H | 39.8 | Very low | 40.8 | Very low | 190 Ų | 190 | 137.4 Ų | 137.4 | 88% | 0.88 | 76% | 0.758 | S | S | * | * | trans | -91.5 | 151.9 | -169 | -124.5 | -96.1 | 0 | 0 | 0 | 114 | ||||
| 21 | P | 47.2 | Very low | 40.5 | Very low | 96 Ų | 96 | 139.7 Ų | 139.7 | 62% | 0.623 | 76% | 0.763 | S | S | * | * | trans | -92.5 | 153.2 | 170.7 | 35.7 | -34.8 | 0 | 0 | 0 | 113.4 | ||||
| 22 | N | 36.6 | Very low | 40.3 | Very low | 149 Ų | 149 | 137.7 Ų | 137.7 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | 174.7 | 131.3 | 128.1 | -99.1 | -31 | 0 | 0 | 0 | 117.5 | |||||
| 23 | S | 36.9 | Very low | 40 | Very low | 102 Ų | 102 | 132.4 Ų | 132.4 | 71% | 0.713 | 76% | 0.756 | S | S | * | * | 90.2 | 147.5 | 126.2 | 79.2 | 0 | 0 | 0 | 0 | 125.4 | |||||
| 24 | V | 38.2 | Very low | 39.8 | Very low | 116 Ų | 116 | 135.8 Ų | 135.8 | 70% | 0.703 | 76% | 0.756 | S | S | * | * | trans | 74 | 134.7 | 155.4 | -117.7 | 0 | 0 | 0 | 0 | 125 | ||||
| 25 | N | 37.7 | Very low | 39.5 | Very low | 139 Ų | 139 | 135.8 Ų | 135.8 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | trans | 77.2 | 150 | 152 | -65.5 | -43.6 | 0 | 0 | 0 | 120.8 | ||||
| 26 | R | 36 | Very low | 39.1 | Very low | 207 Ų | 207 | 135.8 Ų | 135.8 | 78% | 0.781 | 75% | 0.754 | S | S | * | * | cis | -174.4 | 157.5 | -30.7 | -159.6 | -176 | 164.3 | 157.9 | -5 | 109.1 | ||||
| 27 | L | 37 | Very low | 39 | Very low | 128 Ų | 128 | 136.3 Ų | 136.3 | 67% | 0.67 | 75% | 0.752 | S | S | * | * | trans | 74.5 | 144.6 | 167.2 | -51.6 | 178.1 | 0 | 0 | 0 | 115.8 | ||||
| 28 | D | 35.8 | Very low | 38.7 | Very low | 133 Ų | 133 | 137.1 Ų | 137.1 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | cis | -151 | 177 | -0.5 | -114.3 | -32.9 | 0 | 0 | 0 | 114.8 | ||||
| 29 | Y | 36 | Very low | 38.4 | Very low | 212 Ų | 212 | 136.8 Ų | 136.8 | 83% | 0.831 | 75% | 0.746 | S | S | * | * | trans | -74.6 | -176.1 | -163.4 | -89 | -67.5 | 0 | 0 | 0 | 121.6 | ||||
| 30 | P | 48.9 | Very low | 38.1 | Very low | 95 Ų | 95 | 141.1 Ų | 141.1 | 62% | 0.617 | 75% | 0.75 | S | S | * | * | cis | -145.7 | 176.4 | -19.3 | 35.1 | -13.1 | 0 | 0 | 0 | 120.8 | ||||
| 31 | M | 39.3 | Very low | 37.9 | Very low | 164 Ų | 164 | 138 Ų | 138 | 81% | 0.808 | 75% | 0.75 | S | S | * | * | trans | 81.4 | 162.9 | 157.6 | -54.1 | -41.8 | 179.1 | 0 | 0 | 120.9 | ||||
| 32 | T | 39.9 | Very low | 37.1 | Very low | 135 Ų | 135 | 141.3 Ų | 141.3 | 83% | 0.828 | 76% | 0.762 | S | S | * | * | cis | -173.6 | 168.9 | -25.9 | 36.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 33 | G | 38.4 | Very low | 36.8 | Very low | 66 Ų | 66 | 146 Ų | 146 | 68% | 0.68 | 77% | 0.768 | S | S | * | * | cis | 161.4 | 106.1 | -8 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 34 | D | 39.8 | Very low | 36.6 | Very low | 148 Ų | 148 | 146.8 Ų | 146.8 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | trans | 68.3 | 108.6 | 136.4 | -54.2 | -33.6 | 0 | 0 | 0 | 130 | ||||
| 35 | N | 37.2 | Very low | 36.4 | Very low | 142 Ų | 142 | 150.2 Ų | 150.2 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | 63.4 | 140.4 | 101.8 | -65.4 | -44.5 | 0 | 0 | 0 | 129.6 | |||||
| 36 | F | 36.3 | Very low | 36.1 | Very low | 184 Ų | 184 | 152.8 Ų | 152.8 | 81% | 0.807 | 79% | 0.79 | S | S | * | * | trans | 99.7 | 178.4 | 142.3 | -95.8 | -121.3 | 0 | 0 | 0 | 126.6 | ||||
| 37 | V | 36.3 | Very low | 36.2 | Very low | 107 Ų | 107 | 149.8 Ų | 149.8 | 65% | 0.648 | 80% | 0.795 | S | S | * | * | -165.9 | 169.4 | -118.7 | 135.4 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 38 | H | 36.3 | Very low | 36.2 | Very low | 172 Ų | 172 | 151.8 Ų | 151.8 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | trans | 103.9 | 128.5 | 151.4 | -95.8 | -51.4 | 0 | 0 | 0 | 127.8 | ||||
| 39 | T | 32.3 | Very low | 36.2 | Very low | 111 Ų | 111 | 152.5 Ų | 152.5 | 68% | 0.681 | 80% | 0.802 | S | S | * | * | 90.7 | 115.5 | 129.7 | -56.2 | 0 | 0 | 0 | 0 | 129.1 | |||||
| 40 | L | 33.8 | Very low | 36 | Very low | 168 Ų | 168 | 148 Ų | 148 | 88% | 0.88 | 79% | 0.79 | S | S | * | * | trans | 13.3 | 147.3 | 143.4 | -55.8 | 172.6 | 0 | 0 | 0 | 128 | ||||
| 41 | S | 36.9 | Very low | 35.1 | Very low | 125 Ų | 125 | 147.1 Ų | 147.1 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | trans | -164.6 | 170.6 | 136.3 | -163.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 42 | N | 29.8 | Very low | 35.3 | Very low | 164 Ų | 164 | 146.7 Ų | 146.7 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | trans | -112.1 | 151.7 | -166.2 | -86.3 | -48.5 | 0 | 0 | 0 | 116.6 | ||||
| 43 | R | 29.9 | Very low | 35.3 | Very low | 247 Ų | 247 | 143.5 Ų | 143.5 | 93% | 0.932 | 76% | 0.763 | S | S | * | * | trans | -156.8 | 144.9 | 155.2 | -155.9 | 166.9 | -176.2 | 162.4 | 1.1 | 113.5 | ||||
| 44 | S | 32.8 | Very low | 35.2 | Very low | 119 Ų | 119 | 147 Ų | 147 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | trans | -75.9 | 160.1 | -171.2 | -46 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 45 | Q | 33.6 | Very low | 35.2 | Very low | 189 Ų | 189 | 147.9 Ų | 147.9 | 88% | 0.883 | 76% | 0.762 | S | S | * | * | trans | -121.4 | 150.8 | 168 | -71.4 | -174.5 | -9.1 | 0 | 0 | 111.9 | ||||
| 46 | E | 32.6 | Very low | 35 | Very low | 193 Ų | 193 | 150.6 Ų | 150.6 | 90% | 0.902 | 76% | 0.762 | S | S | * | * | trans | -98.5 | 139.1 | 176.3 | -63.9 | 171.3 | 127.8 | 0 | 0 | 110.6 | ||||
| 47 | T | 36.9 | Very low | 34.8 | Very low | 143 Ų | 143 | 146.2 Ų | 146.2 | 88% | 0.877 | 75% | 0.747 | S | S | * | * | trans | -99.8 | 96.3 | -178.5 | 52.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 48 | E | 36.5 | Very low | 34.7 | Very low | 171 Ų | 171 | 149.8 Ų | 149.8 | 80% | 0.799 | 75% | 0.754 | S | S | * | * | trans | -80.3 | 130.4 | 164 | -68.6 | -161.9 | 142.3 | 0 | 0 | 111.2 | ||||
| 49 | M | 35.8 | Very low | 34.4 | Very low | 148 Ų | 148 | 146.5 Ų | 146.5 | 73% | 0.729 | 76% | 0.757 | S | S | * | * | trans | -106.8 | 102.9 | 179 | -170.3 | -177.8 | -58.6 | 0 | 0 | 109.7 | ||||
| 50 | M | 32.7 | Very low | 34.6 | Very low | 118 Ų | 118 | 143.8 Ų | 143.8 | 58% | 0.581 | 75% | 0.745 | S | S | * | * | trans | -75.5 | 129.1 | -173.3 | -70 | -176.2 | 172.3 | 0 | 0 | 113.5 | S462 | M50-S462 WeakPolarHBondContact SD-CB 3.49Å; M50-S462 PolarHBondContact SD-OG 3.44Å; M50-S462 VanDerWaalsContact SD-OG 3.37Å | ||
| 51 | D | 30.7 | Very low | 34.6 | Very low | 75 Ų | 75 | 141.5 Ų | 141.5 | 40% | 0.401 | 73% | 0.734 | S | S | . | * | trans | -71.9 | 139.2 | 172 | 178.5 | 15.2 | 0 | 0 | 0 | 111.7 | S53 A234 | D51-S53 VanDerWaalsContact CG-OG 3.26Å; D51-S53 PolarHBondContact O-N 2.62Å; D51-S53 PolarHBondContact OD1-N 3.38Å; D51-S53 VanDerWaalsContact OD1-N 3.07Å; D51-S53 WeakPolarHBondContact OD2-CB 3.25Å; D51-S53 PolarHBondContact OD2-OG 3.33Å; D51-A234 WeakPolarHBondContact OD2-CB 3.43Å | ||
| 52 | L | 43.2 | Very low | 34.7 | Very low | 155 Ų | 155 | 138.2 Ų | 138.2 | 81% | 0.812 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -76.6 | -2.5 | 178.6 | -66.1 | 172.6 | 0 | 0 | 0 | 113.5 | ||
| 53 | S | 39.3 | Very low | 34.8 | Very low | 69 Ų | 69 | 134 Ų | 134 | 48% | 0.483 | 70% | 0.695 | S | S | . | * | G | 310 helix | trans | -69.8 | -27.7 | 178.8 | 72.4 | 0 | 0 | 0 | 0 | 114.7 | D51 F55 | D51-S53 VanDerWaalsContact CG-OG 3.26Å; D51-S53 PolarHBondContact O-N 2.62Å; D51-S53 PolarHBondContact OD1-N 3.38Å; D51-S53 VanDerWaalsContact OD1-N 3.07Å; D51-S53 WeakPolarHBondContact OD2-CB 3.25Å; D51-S53 PolarHBondContact OD2-OG 3.33Å; S53-F55 VanDerWaalsContact C-N 3.25Å; S53-F55 PolarHBondContact O-N 2.94Å; S53-F55 VanDerWaalsContact O-N 3.09Å |
| 54 | L | 35.4 | Very low | 35.2 | Very low | 138 Ų | 138 | 128.4 Ų | 128.4 | 72% | 0.723 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -64 | -17.5 | -167.6 | -94.2 | 163.7 | 0 | 0 | 0 | 115.9 | R56 | L54-R56 PolarHBondContact O-N 3.31Š|
| 55 | F | 40.6 | Very low | 35.3 | Very low | 167 Ų | 167 | 126 Ų | 126 | 73% | 0.732 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -74.4 | 31 | -177.8 | -77 | -86.3 | 0 | 0 | 0 | 114.7 | S53 | S53-F55 VanDerWaalsContact C-N 3.25Å; S53-F55 PolarHBondContact O-N 2.94Å; S53-F55 VanDerWaalsContact O-N 3.09Å |
| 56 | R | 33.7 | Very low | 35.5 | Very low | 200 Ų | 200 | 125.3 Ų | 125.3 | 76% | 0.755 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -150.1 | 70.7 | -171 | -158.4 | 179.7 | -166.9 | 179.6 | 3.1 | 114.6 | L54 | L54-R56 PolarHBondContact O-N 3.31Š|
| 57 | N | 31.8 | Very low | 35.8 | Very low | 91 Ų | 91 | 120.4 Ų | 120.4 | 49% | 0.487 | 63% | 0.63 | S | S | . | * | trans | 163.9 | 103.1 | 136.5 | -83.3 | -6.4 | 0 | 0 | 0 | 111.2 | P238 | N57-P238 HydrophobicContact CB-CG 4.14Å; N57-P238 PolarHBondContact ND2-O 3.04Å; N57-P238 VanDerWaalsContact ND2-O 3.11Å | ||
| 58 | F | 34.1 | Very low | 35.7 | Very low | 183 Ų | 183 | 115.8 Ų | 115.8 | 80% | 0.803 | 61% | 0.611 | S | S | * | * | trans | -147.6 | 106.5 | 153.2 | -90.7 | -72.1 | 0 | 0 | 0 | 109.2 | ||||
| 59 | A | 30.9 | Very low | 35.6 | Very low | 103 Ų | 103 | 112.4 Ų | 112.4 | 85% | 0.851 | 61% | 0.606 | S | S | * | * | trans | -165.4 | 77.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 60 | A | 36.8 | Very low | 35.7 | Very low | 53 Ų | 53 | 110.2 Ų | 110.2 | 44% | 0.438 | 60% | 0.601 | S | S | . | * | trans | -153.7 | 143.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | G240 S241 | A60-G240 WeakPolarHBondContact CB-O 3.45Å; A60-S241 VanDerWaalsContact O-CA 3.29Å; A60-S241 WeakPolarHBondContact O-CA 3.47Å | ||
| 61 | D | 33.7 | Very low | 35.8 | Very low | 120 Ų | 120 | 113.4 Ų | 113.4 | 64% | 0.642 | 61% | 0.608 | S | S | * | * | trans | -105.8 | 152.1 | -176.2 | -79.8 | -32.4 | 0 | 0 | 0 | 110.6 | L243 | D61-L243 HydrophobicContact CB-CD1 3.52Å; D61-L243 HydrophobicContact CB-CG 3.91Å; D61-L243 VanDerWaalsContact CG-CD1 3.47Å; D61-L243 WeakPolarHBondContact OD1-CD1 3.48Å; D61-L243 WeakPolarHBondContact OD1-CG 3.27Å | ||
| 62 | S | 38.8 | Very low | 36.2 | Very low | 57 Ų | 57 | 117.1 Ų | 117.1 | 40% | 0.399 | 62% | 0.622 | S | S | . | * | trans | -162.4 | 120.6 | 156.6 | 50.5 | 0 | 0 | 0 | 0 | 113.2 | A242 L243 | S62-A242 CarbonylContact O-C 3.59Å; S62-A242 WeakPolarHBondContact OG-CA 3.42Å; S62-L243 WeakPolarHBondContact O-CA 3.37Å; S62-L243 VanDerWaalsContact O-CB 3.27Å; S62-L243 WeakPolarHBondContact O-CB 3.16Å; S62-L243 PolarHBondContact O-N 3.49Å | ||
| 63 | S | 32 | Very low | 36.3 | Very low | 76 Ų | 76 | 114.7 Ų | 114.7 | 53% | 0.531 | 62% | 0.616 | S | S | . | * | trans | -45.4 | 157.8 | -166.6 | -146.3 | 0 | 0 | 0 | 0 | 117.1 | L243 L244 | S63-L243 CarbonylContact C-O 3.32Å; S63-L243 VanDerWaalsContact C-O 3.32Å; S63-L244 VanDerWaalsContact OG-CD1 3.25Å; S63-L244 WeakPolarHBondContact OG-CD1 3.46Å | ||
| 64 | I | 37.9 | Very low | 36.2 | Very low | 129 Ų | 129 | 118.6 Ų | 118.6 | 66% | 0.662 | 63% | 0.628 | S | S | * | * | -155.4 | 138.3 | 86.7 | -83.1 | 143.9 | 0 | 0 | 0 | 112.8 | L243 L244 S245 | I64-L243 PolarHBondContact N-O 2.87Å; I64-L244 VanDerWaalsContact C-CB 3.4Å; I64-L244 CarbonylContact O-C 3.54Å; I64-L244 VanDerWaalsContact O-CB 3.23Å; I64-L244 WeakPolarHBondContact O-CB 3.41Å; I64-S245 PolarHBondContact O-N 3.31Å | |||
| 65 | K | 34 | Very low | 36.2 | Very low | 69 Ų | 69 | 119.8 Ų | 119.8 | 30% | 0.3 | 63% | 0.63 | S | S | . | * | trans | -106.4 | 141.9 | 159.4 | -63.8 | -150.6 | 136.4 | -132.5 | 0 | 109.1 | L244 S245 P246 | K65-L244 HydrophobicContact CD-CD2 4.12Å; K65-L244 HydrophobicContact CG-CB 3.87Å; K65-L244 HydrophobicContact CG-CD1 4.21Å; K65-L244 HydrophobicContact CG-CD2 3.72Å; K65-L244 HydrophobicContact CG-CG 4.11Å; K65-S245 WeakPolarHBondContact CA-O 3.48Å; K65-S245 WeakPolarHBondContact CB-O 3.18Å; K65-S245 WeakPolarHBondContact CD-O 3.25Å; K65-S245 WeakPolarHBondContact CE-O 3.31Å; K65-S245 WeakPolarHBondContact CG-O 3.18Å; K65-S245 PolarHBondContact NZ-O 2.97Å; K65-P246 PolarHBondContact NZ-O 2.84Å | ||
| 66 | H | 39.1 | Very low | 36.2 | Very low | 173 Ų | 173 | 116.7 Ų | 116.7 | 80% | 0.801 | 63% | 0.63 | S | S | * | * | trans | -165.1 | 114.4 | 133 | -97.7 | -74.5 | 0 | 0 | 0 | 107.2 | ||||
| 67 | E | 37.8 | Very low | 36.6 | Very low | 90 Ų | 90 | 112.7 Ų | 112.7 | 42% | 0.421 | 63% | 0.632 | S | S | . | * | 86.5 | 116.9 | 63.7 | -60.5 | -110.2 | 174.8 | 0 | 0 | 110.7 | T247 | E67-T247 WeakPolarHBondContact CA-OG1 3.23Å; E67-T247 HydrophobicContact CG-CG2 4.26Å; E67-T247 WeakPolarHBondContact CG-OG1 3.38Å; E67-T247 WeakPolarHBondContact OE1-CG2 3.27Å; E67-T247 WeakPolarHBondContact OE2-CB 3.26Å; E67-T247 WeakPolarHBondContact OE2-CG2 3.17Å; E67-T247 PolarHBondContact OE2-OG1 3.46Å | |||
| 68 | G | 36.1 | Very low | 36.9 | Very low | 46 Ų | 46 | 112.5 Ų | 112.5 | 47% | 0.474 | 65% | 0.652 | S | S | . | * | trans | -97.8 | -173 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 69 | S | 32.7 | Very low | 37 | Very low | 100 Ų | 100 | 107.3 Ų | 107.3 | 70% | 0.699 | 65% | 0.65 | S | S | * | * | trans | -145 | 143.5 | -179.6 | -175.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 70 | T | 38.7 | Very low | 37.5 | Very low | 102 Ų | 102 | 110.9 Ų | 110.9 | 63% | 0.626 | 65% | 0.654 | S | S | * | * | trans | -137.7 | 106.1 | 167.5 | -56.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 71 | Y | 34 | Very low | 37.7 | Very low | 185 Ų | 185 | 113.5 Ų | 113.5 | 73% | 0.725 | 67% | 0.666 | S | S | * | * | 27.9 | 149.1 | 126.7 | -65.7 | -65.9 | 0 | 0 | 0 | 120.1 | |||||
| 72 | H | 40.3 | Very low | 38.1 | Very low | 153 Ų | 153 | 117.8 Ų | 117.8 | 71% | 0.708 | 68% | 0.679 | S | S | * | * | cis | -162.5 | -169.3 | 20.6 | -127.6 | -30.8 | 0 | 0 | 0 | 109.4 | ||||
| 73 | P | 44.8 | Very low | 37.9 | Very low | 104 Ų | 104 | 121.9 Ų | 121.9 | 68% | 0.675 | 70% | 0.697 | S | S | * | * | -119.6 | -175.8 | -91.4 | 32.3 | -10.4 | 0 | 0 | 0 | 114.6 | |||||
| 74 | M | 36.6 | Very low | 38.7 | Very low | 151 Ų | 151 | 123.2 Ų | 123.2 | 74% | 0.744 | 70% | 0.704 | S | S | * | * | -162.9 | 147.9 | 128.3 | -81.4 | -135.4 | 96.6 | 0 | 0 | 110.6 | |||||
| 75 | E | 36.3 | Very low | 38.8 | Very low | 163 Ų | 163 | 121.7 Ų | 121.7 | 76% | 0.762 | 71% | 0.711 | S | S | * | * | trans | 39.3 | 131.4 | 146.4 | -65.4 | 174.3 | -175.3 | 0 | 0 | 120.5 | ||||
| 76 | S | 40 | Very low | 39.1 | Very low | 103 Ų | 103 | 121.7 Ų | 121.7 | 72% | 0.72 | 72% | 0.724 | S | S | * | * | cis | -171.7 | 168.9 | 15.5 | 51.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 77 | S | 42.6 | Very low | 39.3 | Very low | 116 Ų | 116 | 122 Ų | 122 | 81% | 0.811 | 73% | 0.725 | S | S | * | * | trans | 70.5 | 127.1 | 157.1 | 73.3 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 78 | G | 38.3 | Very low | 39.5 | Very low | 87 Ų | 87 | 125.6 Ų | 125.6 | 90% | 0.897 | 75% | 0.746 | S | S | * | * | trans | 78.6 | 134.2 | 156.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 79 | G | 36.4 | Very low | 39.5 | Very low | 74 Ų | 74 | 127.5 Ų | 127.5 | 76% | 0.763 | 76% | 0.757 | S | S | * | * | cis | 174.3 | 93 | -7.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 80 | L | 41.3 | Very low | 39.8 | Very low | 178 Ų | 178 | 129 Ų | 129 | 93% | 0.932 | 76% | 0.762 | S | S | * | * | trans | 65.1 | 150.6 | 163.9 | -61.5 | 175.6 | 0 | 0 | 0 | 120.2 | ||||
| 81 | P | 41.2 | Very low | 39.7 | Very low | 108 Ų | 108 | 129 Ų | 129 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | trans | -112.4 | 176.2 | 179.4 | 43 | -35 | 0 | 0 | 0 | 113.8 | ||||
| 82 | F | 40.3 | Very low | 39.7 | Very low | 209 Ų | 209 | 129 Ų | 129 | 92% | 0.917 | 78% | 0.775 | S | S | * | * | -167.6 | 154.5 | 128 | -116.1 | -81 | 0 | 0 | 0 | 112.3 | |||||
| 83 | D | 36.4 | Very low | 39.5 | Very low | 144 Ų | 144 | 125 Ų | 125 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | trans | -108.3 | -170.3 | 178.2 | -150.4 | 29.4 | 0 | 0 | 0 | 108.1 | ||||
| 84 | P | 48.8 | Very low | 39.1 | Very low | 104 Ų | 104 | 126 Ų | 126 | 68% | 0.675 | 78% | 0.782 | S | S | * | * | cis | -144.2 | -160.4 | 1.7 | 44.2 | -22.8 | 0 | 0 | 0 | 116.4 | ||||
| 85 | A | 38.7 | Very low | 39 | Very low | 97 Ų | 97 | 128.4 Ų | 128.4 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | trans | 87.7 | 157.3 | 158.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 86 | A | 41.3 | Very low | 39.3 | Very low | 69 Ų | 69 | 126.5 Ų | 126.5 | 57% | 0.57 | 79% | 0.791 | S | S | * | * | cis | -155.5 | 168.5 | 11.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 87 | H | 43.3 | Very low | 39 | Very low | 179 Ų | 179 | 127.3 Ų | 127.3 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | trans | 67.9 | 151.4 | 160.2 | -56.6 | -52.9 | 0 | 0 | 0 | 118.3 | ||||
| 88 | L | 40.7 | Very low | 38.7 | Very low | 165 Ų | 165 | 129 Ų | 129 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | cis | -148.2 | 167.8 | 3.3 | -128.2 | 163.5 | 0 | 0 | 0 | 109.8 | ||||
| 89 | A | 35.8 | Very low | 38.5 | Very low | 86 Ų | 86 | 128.4 Ų | 128.4 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | trans | -137 | 161.2 | -168.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 90 | T | 40 | Very low | 38.5 | Very low | 132 Ų | 132 | 135.9 Ų | 135.9 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | trans | -175.3 | 106.5 | 160 | -75.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 91 | S | 36.8 | Very low | 38.2 | Very low | 102 Ų | 102 | 131.5 Ų | 131.5 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | 65.9 | 109.6 | 93 | -157.6 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 92 | M | 34.3 | Very low | 37.7 | Very low | 184 Ų | 184 | 135.4 Ų | 135.4 | 91% | 0.906 | 78% | 0.78 | S | S | * | * | 83.9 | 131.6 | 57.1 | -74.1 | -73.4 | -73.1 | 0 | 0 | 115.4 | |||||
| 93 | G | 34.5 | Very low | 37.5 | Very low | 71 Ų | 71 | 131.9 Ų | 131.9 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | trans | 167.3 | 119.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 94 | P | 37.9 | Very low | 37.2 | Very low | 123 Ų | 123 | 130.8 Ų | 130.8 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | trans | -110.6 | -173 | 176.9 | 40.4 | -32.8 | 0 | 0 | 0 | 115 | ||||
| 95 | F | 34.8 | Very low | 36.7 | Very low | 203 Ų | 203 | 132.3 Ų | 132.3 | 89% | 0.89 | 78% | 0.782 | S | S | * | * | trans | -51.8 | 156.1 | 178.9 | -73.8 | -89.3 | 0 | 0 | 0 | 116.1 | ||||
| 96 | P | 40.8 | Very low | 36.3 | Very low | 122 Ų | 122 | 133.1 Ų | 133.1 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | -141.5 | -168.1 | 113.8 | 41 | -28.4 | 0 | 0 | 0 | 115.1 | |||||
| 97 | T | 34.3 | Very low | 36.2 | Very low | 120 Ų | 120 | 137.4 Ų | 137.4 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | trans | -103.7 | -166.9 | -174.3 | 52 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 98 | D | 37.5 | Very low | 35.7 | Very low | 152 Ų | 152 | 137.3 Ų | 137.3 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | trans | 95.9 | 155.7 | 164 | -54.6 | 4.6 | 0 | 0 | 0 | 114.6 | ||||
| 99 | A | 33.5 | Very low | 35.6 | Very low | 74 Ų | 74 | 136.1 Ų | 136.1 | 61% | 0.612 | 79% | 0.786 | S | S | * | * | cis | 167 | 176.2 | -27.7 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 100 | Y | 35.7 | Very low | 35.6 | Very low | 232 Ų | 232 | 138.5 Ų | 138.5 | 91% | 0.91 | 79% | 0.787 | S | S | * | * | trans | 70 | 155.9 | -177.6 | -68.5 | -104.7 | 0 | 0 | 0 | 116.6 | ||||
| 101 | A | 34.5 | Very low | 35.3 | Very low | 85 Ų | 85 | 140.8 Ų | 140.8 | 70% | 0.702 | 79% | 0.786 | S | S | * | * | cis | -164.6 | 164.5 | -30.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 102 | K | 31.5 | Very low | 35.2 | Very low | 191 Ų | 191 | 143.7 Ų | 143.7 | 83% | 0.83 | 79% | 0.788 | S | S | * | * | trans | -45.7 | 139.8 | -179.2 | -53.7 | 166 | 179.5 | 179.4 | 0 | 118.6 | ||||
| 103 | T | 35.6 | Very low | 34.8 | Very low | 134 Ų | 134 | 143.4 Ų | 143.4 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | -164.4 | 128.7 | 133.3 | 33.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 104 | T | 30.7 | Very low | 34.6 | Very low | 121 Ų | 121 | 147.4 Ų | 147.4 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | cis | 91.5 | 71.5 | 24.3 | 74.3 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 105 | T | 38.1 | Very low | 34.2 | Very low | 137 Ų | 137 | 146.1 Ų | 146.1 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | trans | -146.6 | 116.8 | 152.6 | 48.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 106 | S | 31.7 | Very low | 34.1 | Very low | 114 Ų | 114 | 145.3 Ų | 145.3 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | cis | 83.5 | 85.3 | 44.3 | -164 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 107 | L | 37.3 | Very low | 33.7 | Very low | 158 Ų | 158 | 145.4 Ų | 145.4 | 83% | 0.827 | 77% | 0.766 | S | S | * | * | trans | 172.1 | 98.3 | 158.8 | -94 | 161.4 | 0 | 0 | 0 | 104 | ||||
| 108 | K | 34.5 | Very low | 33.6 | Very low | 178 Ų | 178 | 150 Ų | 150 | 77% | 0.774 | 77% | 0.77 | S | S | * | * | 86 | 148.6 | 73.6 | -83.4 | -162.1 | 175.1 | -169.3 | 0 | 113.1 | |||||
| 109 | D | 38.9 | Very low | 33.4 | Very low | 139 Ų | 139 | 147.6 Ų | 147.6 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | trans | 71.7 | 141.7 | 174.3 | -40.9 | -18.4 | 0 | 0 | 0 | 115.9 | ||||
| 110 | D | 35.3 | Very low | 33.7 | Very low | 136 Ų | 136 | 150 Ų | 150 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | cis | -167.7 | 158.1 | -48.5 | -112.1 | -3.5 | 0 | 0 | 0 | 109.1 | ||||
| 111 | F | 34.2 | Very low | 33.9 | Very low | 180 Ų | 180 | 147.1 Ų | 147.1 | 79% | 0.789 | 77% | 0.767 | S | S | * | * | trans | 40.1 | 119 | 164.6 | -76.1 | -100.2 | 0 | 0 | 0 | 119.1 | ||||
| 112 | E | 33.7 | Very low | 33.9 | Very low | 163 Ų | 163 | 147 Ų | 147 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | cis | 61.8 | 119.2 | 49.2 | -142.4 | -168.9 | -132 | 0 | 0 | 116.8 | ||||
| 113 | F | 26.7 | Very low | 34.1 | Very low | 179 Ų | 179 | 141.4 Ų | 141.4 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | 57 | 127.5 | 156 | -107.2 | -108.6 | 0 | 0 | 0 | 123.3 | ||||
| 114 | E | 28.7 | Very low | 34.2 | Very low | 154 Ų | 154 | 142.5 Ų | 142.5 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | trans | 67.1 | 148.4 | 144.8 | -88.9 | -69.6 | 177.4 | 0 | 0 | 123.2 | ||||
| 115 | T | 31.1 | Very low | 34.5 | Very low | 96 Ų | 96 | 143.4 Ų | 143.4 | 59% | 0.589 | 77% | 0.771 | S | S | * | * | trans | 56.7 | 96.1 | 151.7 | -60.5 | 0 | 0 | 0 | 0 | 120.1 | L117 | T115-L117 HydrophobicContact CG2-CB 4.1Å; T115-L117 HydrophobicContact CG2-CD1 3.82Å; T115-L117 HydrophobicContact CG2-CG 4.23Å | ||
| 116 | M | 31.5 | Very low | 34.7 | Very low | 187 Ų | 187 | 146.1 Ų | 146.1 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | trans | -160.8 | 95.5 | 150.4 | -166.2 | 180 | -62.1 | 0 | 0 | 107.7 | ||||
| 117 | L | 33.8 | Very low | 34.8 | Very low | 124 Ų | 124 | 144.1 Ų | 144.1 | 65% | 0.649 | 77% | 0.771 | S | S | * | * | cis | 72.2 | 123.6 | 30.6 | -113.7 | -157.2 | 0 | 0 | 0 | 115.6 | T115 | T115-L117 HydrophobicContact CG2-CB 4.1Å; T115-L117 HydrophobicContact CG2-CD1 3.82Å; T115-L117 HydrophobicContact CG2-CG 4.23Å | ||
| 118 | R | 31.7 | Very low | 34.7 | Very low | 217 Ų | 217 | 143.9 Ų | 143.9 | 82% | 0.819 | 77% | 0.771 | S | S | * | * | trans | 71.8 | 155 | 167.2 | -57.2 | -174 | 179.1 | -105.2 | -0.8 | 117.6 | ||||
| 119 | S | 33.9 | Very low | 34.5 | Very low | 100 Ų | 100 | 141.3 Ų | 141.3 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | cis | -174.3 | 137.8 | -28.2 | -92.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 120 | V | 39.4 | Very low | 34.2 | Very low | 125 Ų | 125 | 144.1 Ų | 144.1 | 76% | 0.758 | 78% | 0.776 | S | S | * | * | trans | -143.9 | 152.6 | 156.6 | 177.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 121 | E | 39.3 | Very low | 34 | Very low | 172 Ų | 172 | 144 Ų | 144 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -44.2 | 159.8 | -179.1 | -56 | 85.4 | -119.1 | 0 | 0 | 116.4 | ||||
| 122 | G | 34.2 | Very low | 34.1 | Very low | 81 Ų | 81 | 138.8 Ų | 138.8 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | cis | 109.8 | 130.5 | 7.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 123 | G | 36.9 | Very low | 34 | Very low | 74 Ų | 74 | 137.8 Ų | 137.8 | 76% | 0.763 | 78% | 0.777 | S | S | * | * | trans | 142.6 | 109.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 124 | D | 36.5 | Very low | 34.5 | Very low | 158 Ų | 158 | 137.7 Ų | 137.7 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | trans | -87.4 | 169.9 | -167.7 | -49.3 | -69.8 | 0 | 0 | 0 | 115 | ||||
| 125 | D | 38.1 | Very low | 34.5 | Very low | 139 Ų | 139 | 134 Ų | 134 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | trans | 13.2 | 136.2 | 155.7 | -66.6 | -28.9 | 0 | 0 | 0 | 121.5 | ||||
| 126 | H | 41.8 | Very low | 34.3 | Very low | 194 Ų | 194 | 134.2 Ų | 134.2 | 90% | 0.898 | 78% | 0.778 | S | S | * | * | 177.4 | 135.4 | 110.7 | -86.3 | -32.1 | 0 | 0 | 0 | 114.6 | |||||
| 127 | G | 33.5 | Very low | 34.4 | Very low | 72 Ų | 72 | 135.5 Ų | 135.5 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | trans | 93.6 | 139 | 134.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 128 | N | 34.1 | Very low | 34.1 | Very low | 153 Ų | 153 | 136 Ų | 136 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | 51.3 | 121.3 | 164.6 | -69.8 | -3.3 | 0 | 0 | 0 | 119.2 | ||||
| 129 | V | 31.1 | Very low | 34.2 | Very low | 124 Ų | 124 | 134.3 Ų | 134.3 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | 62.1 | 92.2 | 59.3 | -175.1 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 130 | F | 32.5 | Very low | 34 | Very low | 198 Ų | 198 | 136 Ų | 136 | 87% | 0.868 | 78% | 0.782 | S | S | * | * | trans | -149 | 118 | 133.2 | -141.1 | -91.9 | 0 | 0 | 0 | 111.3 | ||||
| 131 | T | 30.9 | Very low | 33.9 | Very low | 133 Ų | 133 | 136.2 Ų | 136.2 | 82% | 0.816 | 78% | 0.778 | S | S | * | * | trans | -83.5 | 117.3 | 168.1 | 45.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 132 | G | 37.1 | Very low | 33.7 | Very low | 71 Ų | 71 | 135.2 Ų | 135.2 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | trans | -125.4 | 80.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 133 | D | 31.7 | Very low | 33.7 | Very low | 142 Ų | 142 | 134.7 Ų | 134.7 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | trans | -80.1 | 121.5 | 175.2 | -171.5 | 11.2 | 0 | 0 | 0 | 110.2 | ||||
| 134 | M | 37.1 | Very low | 33.7 | Very low | 177 Ų | 177 | 139.6 Ų | 139.6 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | trans | -133 | 82.4 | 173.7 | -83.3 | -98.7 | 66.3 | 0 | 0 | 108 | ||||
| 135 | S | 28.3 | Very low | 33.5 | Very low | 78 Ų | 78 | 137.1 Ų | 137.1 | 55% | 0.545 | 78% | 0.777 | S | S | . | * | trans | -77.4 | 171.2 | 176.5 | 53.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 136 | S | 27.7 | Very low | 33.5 | Very low | 100 Ų | 100 | 138.5 Ų | 138.5 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | trans | 58.8 | 107.8 | 171.1 | 61.2 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 137 | F | 32.2 | Very low | 33 | Very low | 213 Ų | 213 | 132.1 Ų | 132.1 | 93% | 0.934 | 77% | 0.771 | S | S | * | * | -146.7 | 103.9 | 125.6 | -97.1 | -70.6 | 0 | 0 | 0 | 108.9 | |||||
| 138 | N | 27.7 | Very low | 33.1 | Very low | 136 Ų | 136 | 137 Ų | 137 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | -70.7 | 154.5 | 160.1 | -82 | -5.5 | 0 | 0 | 0 | 108.6 | ||||
| 139 | F | 34.4 | Very low | 32.9 | Very low | 181 Ų | 181 | 135.6 Ų | 135.6 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | trans | -131 | 85.5 | 168.3 | -155.2 | -91.5 | 0 | 0 | 0 | 109 | L141 | F139-L141 HydrophobicContact CD1-CG 4.35Å; F139-L141 HydrophobicContact CE1-CD1 3.78Å; F139-L141 HydrophobicContact CE1-CG 3.86Å | ||
| 140 | D | 29.4 | Very low | 32.8 | Very low | 134 Ų | 134 | 136.2 Ų | 136.2 | 72% | 0.717 | 77% | 0.769 | S | S | * | * | trans | -73.6 | 137.7 | 168.4 | -64.5 | -76.3 | 0 | 0 | 0 | 109.8 | ||||
| 141 | L | 37.6 | Very low | 32.7 | Very low | 130 Ų | 130 | 134.8 Ų | 134.8 | 68% | 0.681 | 76% | 0.763 | S | S | * | * | trans | -147.3 | 113.8 | 156.1 | -77.3 | -175.6 | 0 | 0 | 0 | 108.7 | F139 | F139-L141 HydrophobicContact CD1-CG 4.35Å; F139-L141 HydrophobicContact CE1-CD1 3.78Å; F139-L141 HydrophobicContact CE1-CG 3.86Å | ||
| 142 | D | 35.7 | Very low | 32.8 | Very low | 152 Ų | 152 | 133.6 Ų | 133.6 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | trans | 42.1 | 129.4 | 138.5 | -42.9 | -31.8 | 0 | 0 | 0 | 118.7 | ||||
| 143 | G | 32.4 | Very low | 32.5 | Very low | 70 Ų | 70 | 140.8 Ų | 140.8 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | 111.6 | 136.6 | 59.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 144 | D | 37 | Very low | 32.7 | Very low | 176 Ų | 176 | 139.6 Ų | 139.6 | 94% | 0.941 | 75% | 0.754 | S | S | * | * | cis | -129.8 | 177.7 | 18.5 | -79.2 | -50 | 0 | 0 | 0 | 113.8 | ||||
| 145 | S | 33.4 | Very low | 32.5 | Very low | 106 Ų | 106 | 137 Ų | 137 | 74% | 0.741 | 74% | 0.739 | S | S | * | * | trans | -115.4 | 138.6 | 179.4 | 61.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 146 | D | 38.6 | Very low | 32.7 | Very low | 169 Ų | 169 | 142.3 Ų | 142.3 | 90% | 0.904 | 75% | 0.747 | S | S | * | * | trans | -164.8 | 144.2 | 145.4 | -96.7 | -32.3 | 0 | 0 | 0 | 107 | ||||
| 147 | G | 31.2 | Very low | 33 | Very low | 60 Ų | 60 | 145.8 Ų | 145.8 | 62% | 0.619 | 75% | 0.75 | S | S | * | * | cis | 97.1 | 90.2 | 30.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 148 | I | 34.3 | Very low | 33 | Very low | 174 Ų | 174 | 145.5 Ų | 145.5 | 89% | 0.892 | 74% | 0.742 | S | S | * | * | -179.4 | 172.3 | 75.7 | 49.8 | 168.2 | 0 | 0 | 0 | 110.5 | |||||
| 149 | N | 29.6 | Very low | 33.3 | Very low | 124 Ų | 124 | 147.1 Ų | 147.1 | 66% | 0.663 | 75% | 0.745 | S | S | * | * | cis | -171.1 | 106.3 | -35.4 | -175.5 | -65.3 | 0 | 0 | 0 | 110.2 | ||||
| 150 | L | 29.1 | Very low | 33.3 | Very low | 136 Ų | 136 | 143.4 Ų | 143.4 | 71% | 0.712 | 74% | 0.742 | S | S | * | * | trans | 64.8 | 166.9 | 161.6 | -78.2 | 54.8 | 0 | 0 | 0 | 117.5 | ||||
| 151 | K | 32.3 | Very low | 33.7 | Very low | 168 Ų | 168 | 143 Ų | 143 | 73% | 0.73 | 74% | 0.744 | S | S | * | * | cis | -158.4 | 144.6 | -7.7 | -126.2 | 173.3 | -171.7 | 168 | 0 | 114.5 | ||||
| 152 | C | 31 | Very low | 33.8 | Very low | 109 Ų | 109 | 141.3 Ų | 141.3 | 74% | 0.736 | 75% | 0.749 | S | S | * | * | trans | 36.6 | 133 | 133.7 | -71.5 | 0 | 0 | 0 | 0 | 126.7 | ||||
| 153 | R | 32.4 | Very low | 34.2 | Very low | 221 Ų | 221 | 139.6 Ų | 139.6 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | 78.2 | 156.5 | 121.9 | -163.4 | 178 | -164 | -170.1 | 2.6 | 119.6 | |||||
| 154 | E | 35.2 | Very low | 34.3 | Very low | 117 Ų | 117 | 141.8 Ų | 141.8 | 55% | 0.547 | 75% | 0.749 | S | S | . | * | cis | -175.1 | 154.1 | -37.3 | -175.2 | -158.5 | 172.1 | 0 | 0 | 110.3 | ||||
| 155 | H | 33.7 | Very low | 34.3 | Very low | 123 Ų | 123 | 138.3 Ų | 138.3 | 57% | 0.569 | 74% | 0.739 | S | S | * | * | trans | 76.9 | 127 | 148.6 | -104.7 | 4.8 | 0 | 0 | 0 | 124.4 | ||||
| 156 | R | 31 | Very low | 34.4 | Very low | 190 Ų | 190 | 140.2 Ų | 140.2 | 72% | 0.717 | 74% | 0.74 | S | S | * | * | trans | 84.8 | 115.9 | 137.1 | -67.5 | 171.6 | -169.5 | -180 | 9.8 | 123.6 | ||||
| 157 | K | 34 | Very low | 34.4 | Very low | 172 Ų | 172 | 141.7 Ų | 141.7 | 75% | 0.748 | 74% | 0.738 | S | S | * | * | 78.8 | 122.7 | 127.5 | -76.1 | -178.8 | 177.8 | 176.2 | 0 | 122 | |||||
| 158 | R | 32.5 | Very low | 35 | Very low | 208 Ų | 208 | 143.4 Ų | 143.4 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | trans | 86.5 | 115.1 | 140.9 | -70.3 | -178.6 | 175.7 | -168.3 | -1.4 | 120.6 | ||||
| 159 | H | 34.1 | Very low | 35.7 | Very low | 169 Ų | 169 | 140.7 Ų | 140.7 | 78% | 0.782 | 74% | 0.741 | S | S | * | * | trans | 45.2 | 108 | 140.4 | -53.7 | -74.3 | 0 | 0 | 0 | 121.4 | ||||
| 160 | S | 34.3 | Very low | 36.4 | Very low | 103 Ų | 103 | 139.9 Ų | 139.9 | 72% | 0.72 | 75% | 0.745 | S | S | * | * | 36.7 | 109 | 111.4 | -173.2 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 161 | T | 39.1 | Very low | 37.1 | Very low | 126 Ų | 126 | 144.3 Ų | 144.3 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | -170.3 | 139.4 | 67.5 | 42.4 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 162 | A | 38.2 | Very low | 37.8 | Very low | 95 Ų | 95 | 142.6 Ų | 142.6 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | trans | 63.2 | 177.1 | 147.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 163 | P | 44.4 | Very low | 38.4 | Very low | 116 Ų | 116 | 141.1 Ų | 141.1 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | -135.5 | 178.6 | -114.4 | 36.2 | -13.5 | 0 | 0 | 0 | 118.4 | |||||
| 164 | C | 35.7 | Very low | 38.9 | Very low | 115 Ų | 115 | 135.8 Ų | 135.8 | 78% | 0.777 | 76% | 0.755 | S | S | * | * | trans | 100.2 | 132.4 | 157 | -62 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 165 | S | 36.5 | Very low | 39.1 | Very low | 104 Ų | 104 | 138.1 Ų | 138.1 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | 70.5 | 103.9 | 148.2 | 48.3 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 166 | L | 35.9 | Very low | 39.4 | Very low | 145 Ų | 145 | 135.8 Ų | 135.8 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | 84.1 | 122.8 | 122.2 | -60.2 | 178.3 | 0 | 0 | 0 | 124.9 | |||||
| 167 | F | 38.4 | Very low | 39.8 | Very low | 200 Ų | 200 | 135.1 Ų | 135.1 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | trans | 70.2 | 148 | 156.5 | -59.7 | -64.6 | 0 | 0 | 0 | 122.6 | ||||
| 168 | A | 43 | Very low | 40.1 | Very low | 96 Ų | 96 | 132.6 Ų | 132.6 | 79% | 0.793 | 77% | 0.772 | S | S | * | * | trans | -161.9 | -164.4 | -167.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 169 | P | 49.7 | Very low | 40.5 | Very low | 118 Ų | 118 | 131.4 Ų | 131.4 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | cis | -143.1 | -152.8 | 0.9 | 46.3 | -24.4 | 0 | 0 | 0 | 116.2 | ||||
| 170 | S | 43 | Very low | 40.7 | Very low | 107 Ų | 107 | 131 Ų | 131 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | trans | 121.1 | 163.4 | 162.4 | -54.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 171 | R | 44 | Very low | 40.8 | Very low | 228 Ų | 228 | 131 Ų | 131 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | cis | -145.4 | -106.9 | -7.1 | -130.4 | 171.3 | -166.1 | -97.5 | 2.4 | 117.1 | ||||
| 172 | T | 47.2 | Very low | 41.1 | Very low | 132 Ų | 132 | 132.3 Ų | 132.3 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | trans | -155.3 | 173.5 | -160.4 | 47.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 173 | G | 44.8 | Very low | 40.9 | Very low | 78 Ų | 78 | 132.2 Ų | 132.2 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | cis | 169.3 | 179.7 | 2.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 174 | S | 41.8 | Very low | 41 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | cis | -171.3 | 179.1 | -11.1 | -163.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 175 | L | 40.1 | Very low | 41.1 | Very low | 167 Ų | 167 | 136.9 Ų | 136.9 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | trans | 72.4 | 167.5 | 165.9 | -56.8 | 179.8 | 0 | 0 | 0 | 120 | ||||
| 176 | A | 39.6 | Very low | 41.7 | Very low | 73 Ų | 73 | 139.5 Ų | 139.5 | 60% | 0.603 | 80% | 0.796 | S | S | * | * | cis | -171.7 | 175.9 | -34.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 177 | Q | 38.9 | Very low | 42.3 | Very low | 177 Ų | 177 | 138 Ų | 138 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | trans | 71.5 | 159.8 | 157.1 | -75.6 | 178.1 | -93.7 | 0 | 0 | 121.4 | ||||
| 178 | D | 41.7 | Very low | 42.7 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 63% | 0.631 | 79% | 0.79 | S | S | * | * | cis | -161.3 | 176.2 | -11 | -130.8 | -44.2 | 0 | 0 | 0 | 117.5 | ||||
| 179 | F | 39.7 | Very low | 42.7 | Very low | 183 Ų | 183 | 135 Ų | 135 | 80% | 0.803 | 79% | 0.788 | S | S | * | * | trans | 49.4 | 139.2 | 156.8 | -94.5 | -72.7 | 0 | 0 | 0 | 128.4 | ||||
| 180 | M | 39.2 | Very low | 42.4 | Very low | 162 Ų | 162 | 135.4 Ų | 135.4 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | trans | 73.7 | 108.3 | 156.7 | -62.6 | -156.7 | 94.9 | 0 | 0 | 125.1 | ||||
| 181 | S | 36.4 | Very low | 42.9 | Very low | 103 Ų | 103 | 136.5 Ų | 136.5 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | trans | 38.9 | 112.7 | 132.3 | -56.3 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 182 | T | 44.2 | Very low | 42.7 | Very low | 153 Ų | 153 | 132.1 Ų | 132.1 | 94% | 0.939 | 79% | 0.79 | S | S | * | * | -164.7 | 156.5 | 128.4 | 4.5 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 183 | A | 35.6 | Very low | 42.4 | Very low | 93 Ų | 93 | 137.1 Ų | 137.1 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | -99.1 | 129.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 184 | F | 44.8 | Very low | 42.1 | Very low | 213 Ų | 213 | 137.7 Ų | 137.7 | 93% | 0.934 | 79% | 0.791 | S | S | * | * | trans | -144.2 | 135.7 | 161.1 | -104.7 | -85 | 0 | 0 | 0 | 110.3 | ||||
| 185 | S | 38.8 | Very low | 41.8 | Very low | 116 Ų | 116 | 143.7 Ų | 143.7 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | trans | -91.9 | 133.3 | -175.2 | -175.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 186 | L | 49.7 | Very low | 41.8 | Very low | 159 Ų | 159 | 147.1 Ų | 147.1 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | -138.6 | 148 | 171.7 | -74.5 | 176 | 0 | 0 | 0 | 110.5 | ||||
| 187 | P | 48.3 | Very low | 41.6 | Very low | 114 Ų | 114 | 153 Ų | 153 | 74% | 0.74 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -81 | 156.3 | -166.7 | 32 | -36.9 | 0 | 0 | 0 | 114.7 | ||
| 188 | P | 46.6 | Very low | 41.8 | Very low | 119 Ų | 119 | 149.9 Ų | 149.9 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 156 | -178.2 | 30.6 | -36.2 | 0 | 0 | 0 | 114.1 | ||
| 189 | P | 43.3 | Very low | 41.5 | Very low | 113 Ų | 113 | 156.1 Ų | 156.1 | 73% | 0.734 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 160.7 | -175.8 | 32.4 | -36.6 | 0 | 0 | 0 | 114.4 | ||
| 190 | P | 43.8 | Very low | 41.4 | Very low | 126 Ų | 126 | 150.3 Ų | 150.3 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 131.4 | -173.6 | 30 | -35.6 | 0 | 0 | 0 | 114.3 | ||
| 191 | V | 51.9 | Low | 41.6 | Very low | 131 Ų | 131 | 150.3 Ų | 150.3 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 122.5 | 178.6 | 179 | 0 | 0 | 0 | 0 | 112 | R193 | V191-R193 PolarHBondContact O-N 2.99Š|
| 192 | V | 40.3 | Very low | 42.3 | Very low | 135 Ų | 135 | 150.8 Ų | 150.8 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -86 | 103.5 | 176.2 | -179 | 0 | 0 | 0 | 0 | 110.9 | A194 | V192-A194 PolarHBondContact O-N 2.74Š| ||
| 193 | R | 41.2 | Very low | 42.6 | Very low | 237 Ų | 237 | 147.3 Ų | 147.3 | 89% | 0.894 | 79% | 0.787 | S | S | * | * | trans | -82.3 | 105 | 172.9 | -85.4 | -177 | 166 | 160.9 | -3.1 | 112 | V191 R195 | V191-R193 PolarHBondContact O-N 2.99Å; R193-R195 PolarHBondContact O-N 3.09Å | ||
| 194 | A | 37.7 | Very low | 44.1 | Very low | 90 Ų | 90 | 146.4 Ų | 146.4 | 74% | 0.744 | 78% | 0.775 | S | S | * | * | trans | -67.5 | 116.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V192 R196 | V192-A194 PolarHBondContact O-N 2.74Å; A194-R196 PolarHBondContact O-N 3.14Å | ||
| 195 | R | 37 | Very low | 45.2 | Very low | 235 Ų | 235 | 139.1 Ų | 139.1 | 89% | 0.887 | 75% | 0.745 | S | S | * | * | trans | -82.6 | 77.5 | -174.1 | -167.5 | 174 | -178.6 | 172.6 | 1.7 | 112.4 | R193 K197 | R193-R195 PolarHBondContact O-N 3.09Å; R195-K197 PolarHBondContact O-N 3.43Å | ||
| 196 | R | 39.9 | Very low | 46.6 | Very low | 240 Ų | 240 | 135.9 Ų | 135.9 | 91% | 0.906 | 72% | 0.716 | S | S | * | * | trans | -55 | 124.1 | 173.7 | -75 | -174.2 | 171.4 | -170.4 | -2.3 | 110.8 | A194 | A194-R196 PolarHBondContact O-N 3.14Š| ||
| 197 | K | 35.5 | Very low | 47.7 | Very low | 195 Ų | 195 | 133.5 Ų | 133.5 | 85% | 0.848 | 70% | 0.704 | S | S | * | * | trans | -97.3 | 86.5 | 174.1 | -70.1 | 178.6 | -179.1 | 171.9 | 0 | 110.3 | R195 R199 | R195-K197 PolarHBondContact O-N 3.43Å; K197-R199 PolarHBondContact O-N 2.73Å | ||
| 198 | S | 43 | Very low | 48.8 | Very low | 112 Ų | 112 | 130.6 Ų | 130.6 | 78% | 0.783 | 68% | 0.682 | S | S | * | * | trans | -72.7 | 114.4 | 168.8 | 37.7 | 0 | 0 | 0 | 0 | 110.2 | G200 | S198-G200 PolarHBondContact O-N 3.11Š| ||
| 199 | R | 34.3 | Very low | 50.1 | Low | 250 Ų | 250 | 125.5 Ų | 125.5 | 94% | 0.943 | 65% | 0.648 | S | S | * | * | trans | -76.3 | 75.9 | 161.6 | -83.1 | 177.1 | 158.2 | 164.7 | -8.6 | 108.6 | K197 | K197-R199 PolarHBondContact O-N 2.73Š| ||
| 200 | G | 37.2 | Very low | 51.7 | Low | 61 Ų | 61 | 125.8 Ų | 125.8 | 63% | 0.629 | 64% | 0.638 | S | S | * | * | trans | -62.8 | 137.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | S198 | S198-G200 PolarHBondContact O-N 3.11Š| ||
| 201 | K | 44.5 | Very low | 53.4 | Low | 161 Ų | 161 | 128.3 Ų | 128.3 | 70% | 0.7 | 64% | 0.636 | S | S | * | * | trans | -72.1 | 154.4 | 171.7 | -65.7 | 170.3 | -177.6 | 175.3 | 0 | 109.4 | D203 S204 | K201-D203 VanDerWaalsContact CB-OD2 3.32Å; K201-D203 WeakPolarHBondContact CB-OD2 2.92Å; K201-D203 PolarHBondContact O-N 3.44Å; K201-S204 WeakPolarHBondContact O-CB 3.01Å; K201-S204 PolarHBondContact O-N 3.33Å; K201-S204 VanDerWaalsContact O-N 3.08Å | ||
| 202 | P | 51.4 | Low | 54.5 | Low | 114 Ų | 114 | 124.7 Ų | 124.7 | 74% | 0.74 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -17.6 | -173.7 | 22.8 | -34.5 | 0 | 0 | 0 | 114.6 | S204 I205 | P202-S204 PolarHBondContact O-N 2.94Å; P202-I205 PolarHBondContact O-N 3.36Å |
| 203 | D | 50.4 | Low | 56.1 | Low | 80 Ų | 80 | 121.4 Ų | 121.4 | 43% | 0.428 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -51.7 | -27.1 | 172.1 | -47.5 | -69.3 | 0 | 0 | 0 | 113.3 | K201 I205 F206 L207 | K201-D203 VanDerWaalsContact CB-OD2 3.32Å; K201-D203 WeakPolarHBondContact CB-OD2 2.92Å; K201-D203 PolarHBondContact O-N 3.44Å; D203-I205 VanDerWaalsContact C-N 3.32Å; D203-I205 PolarHBondContact O-N 3.28Å; D203-F206 PolarHBondContact O-N 3.02Å; D203-L207 HydrophobicContact CB-CD1 4.34Å; D203-L207 WeakPolarHBondContact O-CB 3.13Å; D203-L207 WeakPolarHBondContact O-CG 3.33Å; D203-L207 PolarHBondContact O-N 3.42Å |
| 204 | S | 67.1 | Low | 57.3 | Low | 73 Ų | 73 | 111.7 Ų | 111.7 | 51% | 0.51 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -56.2 | -39.3 | 179.7 | -168.5 | 0 | 0 | 0 | 0 | 113.8 | K201 P202 L208 | K201-S204 WeakPolarHBondContact O-CB 3.01Å; K201-S204 PolarHBondContact O-N 3.33Å; K201-S204 VanDerWaalsContact O-N 3.08Å; P202-S204 PolarHBondContact O-N 2.94Å; S204-L208 WeakPolarHBondContact O-CB 3.04Å; S204-L208 PolarHBondContact O-N 2.85Å |
| 205 | I | 67.3 | Low | 58.7 | Low | 61 Ų | 61 | 108.4 Ų | 108.4 | 31% | 0.313 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -74.3 | -47 | -175.2 | -62.9 | 175.5 | 0 | 0 | 0 | 110 | P202 D203 L207 L208 L209 | P202-I205 PolarHBondContact O-N 3.36Å; D203-I205 VanDerWaalsContact C-N 3.32Å; D203-I205 PolarHBondContact O-N 3.28Å; I205-L207 VanDerWaalsContact C-N 3.33Å; I205-L207 PolarHBondContact O-N 3.27Å; I205-L208 PolarHBondContact O-N 3.09Å; I205-L209 HydrophobicContact CG2-CD1 3.99Å; I205-L209 HydrophobicContact CG2-CG 4.27Å; I205-L209 WeakPolarHBondContact O-CB 3.4Å; I205-L209 VanDerWaalsContact O-CG 3.3Å; I205-L209 WeakPolarHBondContact O-CG 3.47Å; I205-L209 PolarHBondContact O-N 3.1Å |
| 206 | F | 67.9 | Low | 60.3 | Low | 48 Ų | 48 | 101.1 Ų | 101.1 | 21% | 0.211 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -62 | -41 | 176.9 | 179.7 | -99.7 | 0 | 0 | 0 | 112 | D203 K210 T215 | D203-F206 PolarHBondContact O-N 3.02Å; F206-K210 HydrophobicContact CE1-CD 4.45Å; F206-K210 VanDerWaalsContact O-CB 3.29Å; F206-K210 WeakPolarHBondContact O-CB 3.29Å; F206-K210 PolarHBondContact O-N 3.28Å; F206-T215 HydrophobicContact CE2-CG2 4.14Å |
| 207 | L | 72.6 | Confident | 61.3 | Low | 109 Ų | 109 | 90.3 Ų | 90.3 | 57% | 0.571 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -65.2 | -37.1 | 174.9 | -73.9 | 169.5 | 0 | 0 | 0 | 112.5 | D203 I205 K211 | D203-L207 HydrophobicContact CB-CD1 4.34Å; D203-L207 WeakPolarHBondContact O-CB 3.13Å; D203-L207 WeakPolarHBondContact O-CG 3.33Å; D203-L207 PolarHBondContact O-N 3.42Å; I205-L207 VanDerWaalsContact C-N 3.33Å; I205-L207 PolarHBondContact O-N 3.27Å; L207-K211 WeakPolarHBondContact O-CB 2.9Å; L207-K211 PolarHBondContact O-N 2.55Å |
| 208 | L | 71.5 | Confident | 62.7 | Low | 53 Ų | 53 | 89 Ų | 89 | 28% | 0.277 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70.7 | -45 | 177.6 | -175.3 | 58.3 | 0 | 0 | 0 | 111.9 | S204 I205 K211 N212 A398 | S204-L208 WeakPolarHBondContact O-CB 3.04Å; S204-L208 PolarHBondContact O-N 2.85Å; I205-L208 PolarHBondContact O-N 3.09Å; L208-K211 PolarHBondContact O-N 2.87Å; L208-N212 WeakPolarHBondContact O-CB 3.45Å; L208-N212 PolarHBondContact O-N 2.92Å; L208-N212 PolarHBondContact O-ND2 3.22Å; L208-A398 HydrophobicContact CD2-CB 3.76Å; L208-A398 HydrophobicContact CG-CB 4.4Å |
| 209 | L | 74.6 | Confident | 63.3 | Low | 11 Ų | 11 | 88.2 Ų | 88.2 | 6% | 0.058 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -58.2 | -48.7 | 172.9 | -67.9 | 175.3 | 0 | 0 | 0 | 110.7 | I205 N212 G213 M214 T215 W220 | I205-L209 HydrophobicContact CG2-CD1 3.99Å; I205-L209 HydrophobicContact CG2-CG 4.27Å; I205-L209 WeakPolarHBondContact O-CB 3.4Å; I205-L209 VanDerWaalsContact O-CG 3.3Å; I205-L209 WeakPolarHBondContact O-CG 3.47Å; I205-L209 PolarHBondContact O-N 3.1Å; L209-N212 PolarHBondContact O-N 2.85Å; L209-G213 PolarHBondContact O-N 3.15Å; L209-M214 HydrophobicContact CB-CB 4.17Å; L209-M214 HydrophobicContact CD2-CB 4.11Å; L209-M214 HydrophobicContact CD2-CE 3.73Å; L209-M214 HydrophobicContact CD2-CG 4.3Å; L209-M214 HydrophobicContact CD2-SD 3.48Å; L209-M214 WeakPolarHBondContact CD2-SD 3.34Å; L209-M214 VanDerWaalsContact O-CB 3.29Å; L209-M214 WeakPolarHBondContact O-CB 3.27Å; L209-M214 WeakPolarHBondContact O-CG 3.43Å; L209-M214 PolarHBondContact O-N 3.32Å; L209-T215 HydrophobicContact CB-CG2 4.1Å; L209-W220 HydrophobicContact CD1-CH2 4.25Å; L209-W220 HydrophobicContact CD1-CZ3 4.13Å |
| 210 | K | 76.3 | Confident | 64.4 | Low | 119 Ų | 119 | 81.3 Ų | 81.3 | 52% | 0.517 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 177.8 | -173.3 | 176.5 | 179.8 | -179.3 | 0 | 112.5 | F206 N212 G213 T215 | F206-K210 HydrophobicContact CE1-CD 4.45Å; F206-K210 VanDerWaalsContact O-CB 3.29Å; F206-K210 WeakPolarHBondContact O-CB 3.29Å; F206-K210 PolarHBondContact O-N 3.28Å; K210-N212 VanDerWaalsContact C-N 3.25Å; K210-N212 PolarHBondContact O-N 3.09Å; K210-G213 PolarHBondContact O-N 2.95Å; K210-T215 HydrophobicContact CB-CG2 4.3Å |
| 211 | K | 79.4 | Confident | 65.1 | Low | 179 Ų | 179 | 81.8 Ų | 81.8 | 78% | 0.778 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -61.8 | -34.1 | 177.6 | 179 | 175.3 | 177.5 | 178.3 | 0 | 112.3 | L207 L208 G213 | L207-K211 WeakPolarHBondContact O-CB 2.9Å; L207-K211 PolarHBondContact O-N 2.55Å; L208-K211 PolarHBondContact O-N 2.87Å; K211-G213 VanDerWaalsContact C-N 3.3Å; K211-G213 PolarHBondContact O-N 3.25Å |
| 212 | N | 76.5 | Confident | 65.3 | Low | 55 Ų | 55 | 84.8 Ų | 84.8 | 29% | 0.294 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 16.3 | -179.8 | -61 | -13.9 | 0 | 0 | 0 | 112.9 | L208 L209 K210 M214 L395 | L208-N212 WeakPolarHBondContact O-CB 3.45Å; L208-N212 PolarHBondContact O-N 2.92Å; L208-N212 PolarHBondContact O-ND2 3.22Å; L209-N212 PolarHBondContact O-N 2.85Å; K210-N212 VanDerWaalsContact C-N 3.25Å; K210-N212 PolarHBondContact O-N 3.09Å; N212-M214 HydrophobicContact CB-CG 3.84Å; N212-M214 HydrophobicContact CB-SD 4.12Å; N212-M214 WeakPolarHBondContact O-CG 3.43Å; N212-M214 PolarHBondContact O-N 2.88Å; N212-L395 HydrophobicContact CB-CD1 4.11Å |
| 213 | G | 73.1 | Confident | 65.2 | Low | 66 Ų | 66 | 82.6 Ų | 82.6 | 68% | 0.68 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | 6.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | L209 K210 K211 T215 | L209-G213 PolarHBondContact O-N 3.15Å; K210-G213 PolarHBondContact O-N 2.95Å; K211-G213 VanDerWaalsContact C-N 3.3Å; K211-G213 PolarHBondContact O-N 3.25Å; G213-T215 VanDerWaalsContact C-N 3.33Å; G213-T215 PolarHBondContact O-N 3.43Å |
| 214 | M | 65.9 | Low | 65 | Low | 33 Ų | 33 | 86.2 Ų | 86.2 | 16% | 0.163 | 44% | 0.442 | C | S | . | . | S | Bend | trans | -81 | -8.4 | -168.7 | -42.7 | -169.7 | 51.6 | 0 | 0 | 114.4 | L209 N212 L395 V429 Q430 A433 | L209-M214 HydrophobicContact CB-CB 4.17Å; L209-M214 HydrophobicContact CD2-CB 4.11Å; L209-M214 HydrophobicContact CD2-CE 3.73Å; L209-M214 HydrophobicContact CD2-CG 4.3Å; L209-M214 HydrophobicContact CD2-SD 3.48Å; L209-M214 WeakPolarHBondContact CD2-SD 3.34Å; L209-M214 VanDerWaalsContact O-CB 3.29Å; L209-M214 WeakPolarHBondContact O-CB 3.27Å; L209-M214 WeakPolarHBondContact O-CG 3.43Å; L209-M214 PolarHBondContact O-N 3.32Å; N212-M214 HydrophobicContact CB-CG 3.84Å; N212-M214 HydrophobicContact CB-SD 4.12Å; N212-M214 WeakPolarHBondContact O-CG 3.43Å; N212-M214 PolarHBondContact O-N 2.88Å; M214-L395 HydrophobicContact CE-CD1 4.36Å; M214-L395 HydrophobicContact SD-CD1 3.44Å; M214-L395 WeakPolarHBondContact SD-CD1 3.44Å; M214-V429 HydrophobicContact CE-CG1 4.11Å; M214-Q430 VanDerWaalsContact CB-OE1 3.27Å; M214-A433 HydrophobicContact CE-CB 4.25Å |
| 215 | T | 67.7 | Low | 63.8 | Low | 21 Ų | 21 | 86.2 Ų | 86.2 | 13% | 0.129 | 44% | 0.442 | C | S | . | . | trans | -157.1 | 137.9 | 175.3 | 179.5 | 0 | 0 | 0 | 0 | 111.1 | F206 L209 K210 G213 G217 T219 | F206-T215 HydrophobicContact CE2-CG2 4.14Å; L209-T215 HydrophobicContact CB-CG2 4.1Å; K210-T215 HydrophobicContact CB-CG2 4.3Å; G213-T215 VanDerWaalsContact C-N 3.33Å; G213-T215 PolarHBondContact O-N 3.43Å; T215-G217 PolarHBondContact O-N 2.93Å; T215-G217 PolarHBondContact OG1-N 3.27Å; T215-T219 PolarHBondContact OG1-OG1 3.3Å | ||
| 216 | D | 69.4 | Low | 62.4 | Low | 83 Ų | 83 | 87.1 Ų | 87.1 | 44% | 0.444 | 45% | 0.453 | S | S | . | . | trans | -75.6 | -9.4 | 170.4 | 72.8 | -19.4 | 0 | 0 | 0 | 113.1 | K218 T219 | D216-K218 HydrophobicContact CB-CG 4.46Å; D216-K218 PolarHBondContact O-N 3.07Å; D216-K218 PolarHBondContact OD1-N 3.46Å; D216-K218 VanDerWaalsContact OD2-CB 3.25Å; D216-K218 WeakPolarHBondContact OD2-CB 3.4Å; D216-K218 VanDerWaalsContact OD2-CD 3.23Å; D216-K218 WeakPolarHBondContact OD2-CD 3.46Å; D216-K218 WeakPolarHBondContact OD2-CG 3.29Å; D216-T219 WeakPolarHBondContact OD1-CB 3.47Å; D216-T219 WeakPolarHBondContact OD1-CG2 3.14Å; D216-T219 PolarHBondContact OD1-N 3.39Å; D216-T219 PolarHBondContact OD1-OG1 2.8Å | ||
| 217 | G | 62.1 | Low | 61.3 | Low | 13 Ų | 13 | 89.1 Ų | 89.1 | 13% | 0.134 | 47% | 0.473 | C | S | . | . | S | Bend | trans | 76.3 | -15.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | T215 S221 | T215-G217 PolarHBondContact O-N 2.93Å; T215-G217 PolarHBondContact OG1-N 3.27Å; G217-S221 PolarHBondContact O-N 2.99Å; G217-S221 PolarHBondContact O-OG 3.47Å |
| 218 | K | 64.7 | Low | 59.6 | Low | 166 Ų | 166 | 91.4 Ų | 91.4 | 72% | 0.722 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -49.4 | 176.6 | -46.1 | 177.3 | -165.3 | 166.2 | 0 | 109.2 | D216 W220 S221 | D216-K218 HydrophobicContact CB-CG 4.46Å; D216-K218 PolarHBondContact O-N 3.07Å; D216-K218 PolarHBondContact OD1-N 3.46Å; D216-K218 VanDerWaalsContact OD2-CB 3.25Å; D216-K218 WeakPolarHBondContact OD2-CB 3.4Å; D216-K218 VanDerWaalsContact OD2-CD 3.23Å; D216-K218 WeakPolarHBondContact OD2-CD 3.46Å; D216-K218 WeakPolarHBondContact OD2-CG 3.29Å; K218-W220 VanDerWaalsContact C-N 3.28Å; K218-W220 PolarHBondContact O-N 3.33Å; K218-S221 PolarHBondContact O-N 2.96Å |
| 219 | T | 56.7 | Low | 58 | Low | 97 Ų | 97 | 98.2 Ų | 98.2 | 60% | 0.595 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.2 | -42.7 | 176.2 | 43 | 0 | 0 | 0 | 0 | 114.3 | T215 D216 | T215-T219 PolarHBondContact OG1-OG1 3.3Å; D216-T219 WeakPolarHBondContact OD1-CB 3.47Å; D216-T219 WeakPolarHBondContact OD1-CG2 3.14Å; D216-T219 PolarHBondContact OD1-N 3.39Å; D216-T219 PolarHBondContact OD1-OG1 2.8Å |
| 220 | W | 56.1 | Low | 56.4 | Low | 104 Ų | 104 | 104.3 Ų | 104.3 | 39% | 0.394 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -2.2 | -176.2 | -93.5 | 26.2 | 0 | 0 | 0 | 115.7 | L209 K218 R222 A223 L402 A407 | L209-W220 HydrophobicContact CD1-CH2 4.25Å; L209-W220 HydrophobicContact CD1-CZ3 4.13Å; K218-W220 VanDerWaalsContact C-N 3.28Å; K218-W220 PolarHBondContact O-N 3.33Å; W220-R222 PolarHBondContact O-N 3.43Å; W220-R222 VanDerWaalsContact O-N 3.15Å; W220-A223 PolarHBondContact O-N 2.81Å; W220-A223 VanDerWaalsContact O-N 3.1Å; W220-L402 HydrophobicContact CH2-CD1 4.16Å; W220-L402 HydrophobicContact CZ2-CD1 4.41Å; W220-A407 HydrophobicContact CH2-CB 4.48Å; W220-A407 HydrophobicContact CZ2-CB 4.4Å |
| 221 | S | 51.4 | Low | 54.7 | Low | 72 Ų | 72 | 102.8 Ų | 102.8 | 50% | 0.503 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59 | -29.4 | 178.6 | -74.3 | 0 | 0 | 0 | 0 | 113.1 | G217 K218 A223 R224 | G217-S221 PolarHBondContact O-N 2.99Å; G217-S221 PolarHBondContact O-OG 3.47Å; K218-S221 PolarHBondContact O-N 2.96Å; S221-A223 VanDerWaalsContact C-N 3.3Å; S221-A223 PolarHBondContact O-N 2.79Å; S221-R224 PolarHBondContact O-N 2.88Å |
| 222 | R | 49.4 | Very low | 52.7 | Low | 223 Ų | 223 | 101.9 Ų | 101.9 | 84% | 0.842 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.3 | -28.8 | 177.7 | -161.6 | 170.6 | -174.4 | 137.6 | -0.5 | 113.6 | W220 | W220-R222 PolarHBondContact O-N 3.43Å; W220-R222 VanDerWaalsContact O-N 3.15Å |
| 223 | A | 48.9 | Very low | 51 | Low | 68 Ų | 68 | 107.7 Ų | 107.7 | 56% | 0.562 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -75.3 | -29.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | W220 S221 S225 | W220-A223 PolarHBondContact O-N 2.81Å; W220-A223 VanDerWaalsContact O-N 3.1Å; S221-A223 VanDerWaalsContact C-N 3.3Å; S221-A223 PolarHBondContact O-N 2.79Å; A223-S225 VanDerWaalsContact C-N 3.34Å; A223-S225 PolarHBondContact O-N 2.66Å |
| 224 | R | 46.4 | Very low | 49.3 | Very low | 156 Ų | 156 | 107.3 Ų | 107.3 | 59% | 0.589 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -68.1 | -31.7 | -179.4 | -82.7 | -179 | 148.8 | 158.4 | -6.9 | 113.2 | S221 C226 | S221-R224 PolarHBondContact O-N 2.88Å; R224-C226 PolarHBondContact O-N 3.33Å |
| 225 | S | 42.4 | Very low | 47.7 | Very low | 73 Ų | 73 | 114 Ų | 114 | 51% | 0.51 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -66.8 | -28.7 | -171.3 | -60.5 | 0 | 0 | 0 | 0 | 115.1 | A223 | A223-S225 VanDerWaalsContact C-N 3.34Å; A223-S225 PolarHBondContact O-N 2.66Å |
| 226 | C | 38.7 | Very low | 46.2 | Very low | 81 Ų | 81 | 121.7 Ų | 121.7 | 55% | 0.547 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -87.8 | -28.6 | -175.8 | -59.4 | 0 | 0 | 0 | 0 | 113.9 | R224 H230 | R224-C226 PolarHBondContact O-N 3.33Å; C226-H230 PolarHBondContact O-ND1 3.48Å |
| 227 | S | 43.7 | Very low | 44.5 | Very low | 89 Ų | 89 | 126.4 Ų | 126.4 | 62% | 0.622 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -80.5 | -24.1 | -169.8 | -170.1 | 0 | 0 | 0 | 0 | 114 | ||
| 228 | L | 37.7 | Very low | 43.2 | Very low | 157 Ų | 157 | 129.2 Ų | 129.2 | 82% | 0.822 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | -0.6 | -168.3 | -145.1 | 75.1 | 0 | 0 | 0 | 115.5 | ||
| 229 | R | 36.6 | Very low | 41.9 | Very low | 197 Ų | 197 | 127.2 Ų | 127.2 | 74% | 0.743 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -107.8 | -11.4 | -172.1 | -61.5 | -173.6 | -170.5 | -110.8 | 3.2 | 115.7 | ||
| 230 | H | 41.6 | Very low | 41 | Very low | 139 Ų | 139 | 124 Ų | 124 | 64% | 0.644 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -105.9 | -2 | -167.2 | -69 | 109.4 | 0 | 0 | 0 | 115.4 | C226 | C226-H230 PolarHBondContact O-ND1 3.48Š|
| 231 | A | 41.1 | Very low | 40.1 | Very low | 87 Ų | 87 | 122.6 Ų | 122.6 | 72% | 0.719 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -78.5 | -27.2 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 232 | D | 37.5 | Very low | 39.4 | Very low | 160 Ų | 160 | 122.7 Ų | 122.7 | 86% | 0.856 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -100.8 | -1.7 | -162.5 | -65.9 | -43.1 | 0 | 0 | 0 | 115.7 | ||
| 233 | Q | 41 | Very low | 38.8 | Very low | 176 Ų | 176 | 115.2 Ų | 115.2 | 82% | 0.822 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -109.7 | -11.6 | -165.8 | -64.2 | -171 | 0.2 | 0 | 0 | 116.8 | M235 | Q233-M235 PolarHBondContact O-N 3.04Š|
| 234 | A | 37.5 | Very low | 38.2 | Very low | 59 Ų | 59 | 115.6 Ų | 115.6 | 49% | 0.488 | 63% | 0.634 | S | S | . | * | trans | -91.2 | 19.9 | -161 | 0 | 0 | 0 | 0 | 0 | 117.8 | D51 | D51-A234 WeakPolarHBondContact OD2-CB 3.43Š| ||
| 235 | M | 30.9 | Very low | 37.8 | Very low | 174 Ų | 174 | 111.2 Ų | 111.2 | 86% | 0.857 | 63% | 0.627 | S | S | * | * | trans | -87 | 107.6 | 176.4 | -69.2 | -162.3 | -176.5 | 0 | 0 | 112.6 | Q233 | Q233-M235 PolarHBondContact O-N 3.04Š| ||
| 236 | F | 36.7 | Very low | 38.1 | Very low | 181 Ų | 181 | 112 Ų | 112 | 79% | 0.794 | 63% | 0.631 | S | S | * | * | trans | 163.7 | 121.8 | 138.2 | -86.6 | -56.8 | 0 | 0 | 0 | 116.4 | ||||
| 237 | K | 34.4 | Very low | 38.3 | Very low | 182 Ų | 182 | 111.6 Ų | 111.6 | 79% | 0.791 | 63% | 0.626 | S | S | * | * | trans | 67.5 | 125 | 142 | -58.8 | 166.2 | -177.1 | 170.1 | 0 | 124.3 | ||||
| 238 | P | 34.5 | Very low | 38.4 | Very low | 73 Ų | 73 | 111 Ų | 111 | 47% | 0.474 | 62% | 0.616 | S | S | . | * | trans | -137.8 | 163.6 | 158.6 | 21.8 | 1.6 | 0 | 0 | 0 | 117.6 | N57 | N57-P238 HydrophobicContact CB-CG 4.14Å; N57-P238 PolarHBondContact ND2-O 3.04Å; N57-P238 VanDerWaalsContact ND2-O 3.11Å | ||
| 239 | S | 37.4 | Very low | 38.7 | Very low | 124 Ų | 124 | 109.6 Ų | 109.6 | 87% | 0.867 | 60% | 0.603 | S | S | * | * | trans | -164.9 | 145 | 178 | -158.4 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 240 | G | 37.5 | Very low | 39.1 | Very low | 28 Ų | 28 | 105.6 Ų | 105.6 | 29% | 0.289 | 61% | 0.605 | S | S | . | * | trans | 173.7 | 161.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 119 | A60 | A60-G240 WeakPolarHBondContact CB-O 3.45Š| ||
| 241 | S | 37.1 | Very low | 39.2 | Very low | 75 Ų | 75 | 107.2 Ų | 107.2 | 52% | 0.524 | 61% | 0.611 | S | S | . | * | trans | -154.9 | 150.8 | -164.6 | 56.6 | 0 | 0 | 0 | 0 | 119.5 | A60 | A60-S241 VanDerWaalsContact O-CA 3.29Å; A60-S241 WeakPolarHBondContact O-CA 3.47Å | ||
| 242 | A | 37.4 | Very low | 39.4 | Very low | 75 Ų | 75 | 107 Ų | 107 | 62% | 0.62 | 60% | 0.603 | S | S | * | * | trans | 179.3 | 165.7 | 156.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | S62 | S62-A242 CarbonylContact O-C 3.59Å; S62-A242 WeakPolarHBondContact OG-CA 3.42Å | ||
| 243 | L | 36 | Very low | 39.5 | Very low | 66 Ų | 66 | 105.6 Ų | 105.6 | 35% | 0.346 | 60% | 0.596 | S | S | . | * | trans | -160 | 168.1 | -169.2 | -104.8 | -168.9 | 0 | 0 | 0 | 120.5 | D61 S62 S63 I64 | D61-L243 HydrophobicContact CB-CD1 3.52Å; D61-L243 HydrophobicContact CB-CG 3.91Å; D61-L243 VanDerWaalsContact CG-CD1 3.47Å; D61-L243 WeakPolarHBondContact OD1-CD1 3.48Å; D61-L243 WeakPolarHBondContact OD1-CG 3.27Å; S62-L243 WeakPolarHBondContact O-CA 3.37Å; S62-L243 VanDerWaalsContact O-CB 3.27Å; S62-L243 WeakPolarHBondContact O-CB 3.16Å; S62-L243 PolarHBondContact O-N 3.49Å; S63-L243 CarbonylContact C-O 3.32Å; S63-L243 VanDerWaalsContact C-O 3.32Å; I64-L243 PolarHBondContact N-O 2.87Å | ||
| 244 | L | 36.6 | Very low | 39.4 | Very low | 76 Ų | 76 | 105.7 Ų | 105.7 | 40% | 0.398 | 60% | 0.597 | S | S | . | * | trans | 86.7 | 168.7 | 149.1 | -76.4 | 167.8 | 0 | 0 | 0 | 124.6 | S63 I64 K65 | S63-L244 VanDerWaalsContact OG-CD1 3.25Å; S63-L244 WeakPolarHBondContact OG-CD1 3.46Å; I64-L244 VanDerWaalsContact C-CB 3.4Å; I64-L244 CarbonylContact O-C 3.54Å; I64-L244 VanDerWaalsContact O-CB 3.23Å; I64-L244 WeakPolarHBondContact O-CB 3.41Å; K65-L244 HydrophobicContact CD-CD2 4.12Å; K65-L244 HydrophobicContact CG-CB 3.87Å; K65-L244 HydrophobicContact CG-CD1 4.21Å; K65-L244 HydrophobicContact CG-CD2 3.72Å; K65-L244 HydrophobicContact CG-CG 4.11Å | ||
| 245 | S | 37.1 | Very low | 39.4 | Very low | 63 Ų | 63 | 106.3 Ų | 106.3 | 44% | 0.441 | 60% | 0.602 | S | S | . | * | trans | -165.8 | 178.5 | -153.8 | 74.2 | 0 | 0 | 0 | 0 | 117.8 | I64 K65 | I64-S245 PolarHBondContact O-N 3.31Å; K65-S245 WeakPolarHBondContact CA-O 3.48Å; K65-S245 WeakPolarHBondContact CB-O 3.18Å; K65-S245 WeakPolarHBondContact CD-O 3.25Å; K65-S245 WeakPolarHBondContact CE-O 3.31Å; K65-S245 WeakPolarHBondContact CG-O 3.18Å; K65-S245 PolarHBondContact NZ-O 2.97Å | ||
| 246 | P | 49.1 | Very low | 40 | Very low | 89 Ų | 89 | 106.6 Ų | 106.6 | 58% | 0.578 | 61% | 0.605 | S | S | * | * | trans | -98.1 | -162.9 | -169.3 | 39.5 | -37.3 | 0 | 0 | 0 | 118.3 | K65 | K65-P246 PolarHBondContact NZ-O 2.84Š| ||
| 247 | T | 43.6 | Very low | 40 | Very low | 73 Ų | 73 | 105 Ų | 105 | 45% | 0.448 | 60% | 0.6 | S | S | . | * | trans | -127.9 | -146.9 | -172.2 | 42.1 | 0 | 0 | 0 | 0 | 114.5 | E67 | E67-T247 WeakPolarHBondContact CA-OG1 3.23Å; E67-T247 HydrophobicContact CG-CG2 4.26Å; E67-T247 WeakPolarHBondContact CG-OG1 3.38Å; E67-T247 WeakPolarHBondContact OE1-CG2 3.27Å; E67-T247 WeakPolarHBondContact OE2-CB 3.26Å; E67-T247 WeakPolarHBondContact OE2-CG2 3.17Å; E67-T247 PolarHBondContact OE2-OG1 3.46Å | ||
| 248 | D | 44.5 | Very low | 40.3 | Very low | 77 Ų | 77 | 104.5 Ų | 104.5 | 41% | 0.412 | 60% | 0.598 | S | S | . | * | cis | -171.5 | 177.1 | 29.4 | -168.3 | 24.8 | 0 | 0 | 0 | 108.1 | ||||
| 249 | K | 45.5 | Very low | 40.6 | Very low | 128 Ų | 128 | 106.9 Ų | 106.9 | 56% | 0.557 | 62% | 0.616 | S | S | * | * | cis | -150.2 | -157.8 | 1.6 | -148.5 | 157.1 | -145.7 | 68.4 | 0 | 107.5 | ||||
| 250 | S | 43.5 | Very low | 40.6 | Very low | 113 Ų | 113 | 104.4 Ų | 104.4 | 79% | 0.79 | 61% | 0.61 | S | S | * | * | cis | -154.9 | -90.2 | 2.5 | 54.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 251 | K | 44.2 | Very low | 40.7 | Very low | 173 Ų | 173 | 111.8 Ų | 111.8 | 75% | 0.752 | 64% | 0.642 | S | S | * | * | trans | -152.8 | 153.7 | -147.6 | 171.9 | 178.2 | 179.2 | 173.3 | 0 | 111.4 | D253 | K251-D253 WeakPolarHBondContact CE-OD2 3.19Å; K251-D253 IonicContact NZ-OD2 3.79Å | ||
| 252 | S | 44.8 | Very low | 41.4 | Very low | 81 Ų | 81 | 113.9 Ų | 113.9 | 57% | 0.566 | 65% | 0.654 | S | S | * | * | cis | -174 | -155.8 | -15.8 | 53.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 253 | D | 40.4 | Very low | 41.8 | Very low | 132 Ų | 132 | 115.8 Ų | 115.8 | 71% | 0.706 | 66% | 0.66 | S | S | * | * | cis | -136.1 | -148.6 | -4.6 | -94.6 | -48.2 | 0 | 0 | 0 | 107.3 | K251 | K251-D253 WeakPolarHBondContact CE-OD2 3.19Å; K251-D253 IonicContact NZ-OD2 3.79Å | ||
| 254 | E | 39.1 | Very low | 42.1 | Very low | 178 Ų | 178 | 119.4 Ų | 119.4 | 83% | 0.832 | 68% | 0.678 | S | S | * | * | cis | -156.3 | -152 | 5.1 | -147.9 | -126.6 | 78.9 | 0 | 0 | 111.6 | ||||
| 255 | A | 37.9 | Very low | 42.3 | Very low | 72 Ų | 72 | 122 Ų | 122 | 60% | 0.595 | 70% | 0.697 | S | S | * | * | trans | -128.3 | 145.5 | -154.9 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 256 | I | 43.6 | Very low | 42.5 | Very low | 179 Ų | 179 | 125.3 Ų | 125.3 | 92% | 0.918 | 72% | 0.715 | S | S | * | * | -178.7 | 157.7 | 123.8 | -92.8 | 166.8 | 0 | 0 | 0 | 109.5 | |||||
| 257 | E | 35.9 | Very low | 41.9 | Very low | 149 Ų | 149 | 125 Ų | 125 | 70% | 0.696 | 72% | 0.72 | S | S | * | * | trans | -130.4 | 168.6 | -153.8 | -154.5 | -152.4 | -178.6 | 0 | 0 | 115.5 | ||||
| 258 | K | 40.2 | Very low | 41.7 | Very low | 171 Ų | 171 | 128.1 Ų | 128.1 | 74% | 0.743 | 74% | 0.739 | S | S | * | * | trans | 76.5 | 134 | 170.3 | -54 | -179.4 | 172.1 | 70.6 | 0 | 114.9 | ||||
| 259 | S | 41.2 | Very low | 41.4 | Very low | 122 Ų | 122 | 127.9 Ų | 127.9 | 85% | 0.853 | 74% | 0.743 | S | S | * | * | cis | -172.3 | 171.7 | 49 | 52.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 260 | G | 37 | Very low | 40.9 | Very low | 73 Ų | 73 | 132.4 Ų | 132.4 | 75% | 0.753 | 76% | 0.757 | S | S | * | * | trans | 94 | 122.2 | 156.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 261 | L | 40.7 | Very low | 40.8 | Very low | 182 Ų | 182 | 135 Ų | 135 | 95% | 0.953 | 76% | 0.762 | S | S | * | * | trans | -109.1 | 128.5 | 177.1 | -89.1 | 165.4 | 0 | 0 | 0 | 112.4 | ||||
| 262 | P | 52.4 | Low | 40.3 | Very low | 119 Ų | 119 | 130.7 Ų | 130.7 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | trans | -116 | 134.8 | 178.7 | 37.4 | -28.4 | 0 | 0 | 0 | 115.4 | ||||
| 263 | P | 43.9 | Very low | 40.1 | Very low | 115 Ų | 115 | 135.9 Ų | 135.9 | 75% | 0.747 | 77% | 0.766 | S | S | * | * | trans | -132.8 | -170.4 | 179.2 | 44.3 | -31.1 | 0 | 0 | 0 | 116.3 | ||||
| 264 | I | 42.9 | Very low | 39.9 | Very low | 143 Ų | 143 | 134.7 Ų | 134.7 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | trans | 87.1 | 93.1 | 158 | -65.1 | 170.9 | 0 | 0 | 0 | 119.6 | ||||
| 265 | T | 41 | Very low | 40.1 | Very low | 129 Ų | 129 | 137.5 Ų | 137.5 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | trans | 71.7 | 158.3 | 145 | 69.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 266 | T | 40.7 | Very low | 40.4 | Very low | 133 Ų | 133 | 144 Ų | 144 | 82% | 0.816 | 79% | 0.787 | S | S | * | * | cis | -128.9 | 174.7 | 10.7 | 46.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 267 | A | 36.8 | Very low | 40.7 | Very low | 84 Ų | 84 | 144.5 Ų | 144.5 | 69% | 0.694 | 78% | 0.782 | S | S | * | * | trans | -79.8 | 175.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 268 | T | 39 | Very low | 41.4 | Very low | 137 Ų | 137 | 143.6 Ų | 143.6 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | cis | -164.2 | 168.9 | 20.5 | -25.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 269 | S | 38.5 | Very low | 42 | Very low | 72 Ų | 72 | 143.3 Ų | 143.3 | 50% | 0.503 | 80% | 0.795 | S | S | . | * | trans | 79 | 96 | 144.9 | -171 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 270 | R | 35.4 | Very low | 42.4 | Very low | 223 Ų | 223 | 143 Ų | 143 | 84% | 0.842 | 79% | 0.79 | S | S | * | * | 52.5 | 108.4 | 127.1 | -58.5 | 174.1 | -69.1 | -173.1 | -2.6 | 119.6 | |||||
| 271 | N | 40.7 | Very low | 43.5 | Very low | 167 Ų | 167 | 147 Ų | 147 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | trans | -152.9 | 167 | 145.1 | -116.7 | -53.5 | 0 | 0 | 0 | 112.7 | ||||
| 272 | S | 33.8 | Very low | 44 | Very low | 84 Ų | 84 | 145.3 Ų | 145.3 | 59% | 0.587 | 78% | 0.783 | S | S | * | * | trans | -133.6 | 169.3 | -168.1 | 64.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 273 | K | 40.9 | Very low | 43.7 | Very low | 190 Ų | 190 | 146.3 Ų | 146.3 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | trans | 89.2 | 157 | -175.8 | -46.8 | 140.8 | -160.3 | 157 | 0 | 112.1 | ||||
| 274 | S | 36.7 | Very low | 43.8 | Very low | 107 Ų | 107 | 143.9 Ų | 143.9 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | cis | -148.3 | 159.6 | 5.6 | -168.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 275 | R | 42.6 | Very low | 43.8 | Very low | 237 Ų | 237 | 142.6 Ų | 142.6 | 89% | 0.894 | 77% | 0.766 | S | S | * | * | trans | -90.3 | 125.7 | 171.3 | -77.3 | -166.1 | -72.3 | 175.7 | -6.4 | 111.9 | ||||
| 276 | F | 45.1 | Very low | 43.7 | Very low | 209 Ų | 209 | 145.2 Ų | 145.2 | 92% | 0.917 | 76% | 0.763 | S | S | * | * | trans | -62.4 | 160.4 | 175.4 | -86.8 | -102.1 | 0 | 0 | 0 | 113.7 | ||||
| 277 | K | 48.7 | Very low | 43.9 | Very low | 189 Ų | 189 | 143.7 Ų | 143.7 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | trans | -134.6 | 137.1 | 166.7 | -66.3 | 177.3 | -176.9 | 170.9 | 0 | 108.8 | ||||
| 278 | P | 51.8 | Low | 43.8 | Very low | 129 Ų | 129 | 147 Ų | 147 | 84% | 0.838 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 159.6 | -180 | 29.2 | -35 | 0 | 0 | 0 | 112.6 | ||
| 279 | L | 52.8 | Low | 43.9 | Very low | 166 Ų | 166 | 147.9 Ų | 147.9 | 87% | 0.869 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 146.6 | -175.9 | -69.4 | 149.6 | 0 | 0 | 0 | 112.4 | L281 | L279-L281 PolarHBondContact O-N 3.46Š|
| 280 | P | 48 | Very low | 43.5 | Very low | 114 Ų | 114 | 151.4 Ų | 151.4 | 74% | 0.74 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 125.6 | 175.8 | 30.4 | -33.2 | 0 | 0 | 0 | 111.3 | I282 | P280-I282 PolarHBondContact O-N 3.13Š|
| 281 | L | 60.1 | Low | 43.6 | Very low | 159 Ų | 159 | 150.1 Ų | 150.1 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 126.2 | -177.8 | -150.8 | 154.3 | 0 | 0 | 0 | 111 | L279 I283 | L279-L281 PolarHBondContact O-N 3.46Å; L281-I283 HydrophobicContact CD2-CG1 4.43Å |
| 282 | I | 51.4 | Low | 43.6 | Very low | 145 Ų | 145 | 151 Ų | 151 | 74% | 0.744 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -91 | 130.2 | -175.8 | -59.4 | 173.8 | 0 | 0 | 0 | 109.7 | P280 | P280-I282 PolarHBondContact O-N 3.13Š|
| 283 | I | 46.8 | Very low | 43.7 | Very low | 141 Ų | 141 | 152.3 Ų | 152.3 | 72% | 0.723 | 75% | 0.746 | S | S | * | * | trans | -119.5 | 115.4 | 170.4 | -59.3 | 178.9 | 0 | 0 | 0 | 107.8 | L281 | L281-I283 HydrophobicContact CD2-CG1 4.43Š| ||
| 284 | P | 45.2 | Very low | 43.3 | Very low | 63 Ų | 63 | 147.6 Ų | 147.6 | 41% | 0.409 | 74% | 0.737 | S | S | . | * | trans | -64.9 | 152.8 | -175.5 | -23.4 | 34 | 0 | 0 | 0 | 114.3 | Y286 | P284-Y286 VanDerWaalsContact C-N 3.27Å; P284-Y286 HydrophobicContact CB-CD1 3.78Å; P284-Y286 HydrophobicContact CB-CE1 3.38Å; P284-Y286 HydrophobicContact CG-CE1 4.3Å; P284-Y286 PolarHBondContact O-N 3.37Å | ||
| 285 | P | 43.1 | Very low | 43.4 | Very low | 116 Ų | 116 | 148.8 Ų | 148.8 | 75% | 0.753 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | 2.1 | -171.2 | 31.8 | -37.1 | 0 | 0 | 0 | 115.5 | ||
| 286 | Y | 40.2 | Very low | 43.1 | Very low | 184 Ų | 184 | 145.7 Ų | 145.7 | 72% | 0.722 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114 | 21.8 | -163.2 | 60.1 | -100.9 | 0 | 0 | 0 | 116.4 | P284 F288 | P284-Y286 VanDerWaalsContact C-N 3.27Å; P284-Y286 HydrophobicContact CB-CD1 3.78Å; P284-Y286 HydrophobicContact CB-CE1 3.38Å; P284-Y286 HydrophobicContact CG-CE1 4.3Å; P284-Y286 PolarHBondContact O-N 3.37Å; Y286-F288 VanDerWaalsContact C-N 3.25Å; Y286-F288 PolarHBondContact O-N 3.41Å |
| 287 | V | 44.1 | Very low | 42.7 | Very low | 102 Ų | 102 | 141.9 Ų | 141.9 | 62% | 0.618 | 71% | 0.71 | S | S | * | * | trans | -92.5 | 40 | 166.2 | -66.5 | 0 | 0 | 0 | 0 | 113.1 | F289 | V287-F289 VanDerWaalsContact C-N 3.29Å; V287-F289 HydrophobicContact CB-CD2 4.31Å; V287-F289 HydrophobicContact CB-CE2 4.29Å; V287-F289 HydrophobicContact CG1-CE2 4.22Å; V287-F289 PolarHBondContact O-N 3.03Å | ||
| 288 | F | 34.1 | Very low | 42.3 | Very low | 153 Ų | 153 | 137 Ų | 137 | 67% | 0.671 | 70% | 0.7 | S | S | * | * | trans | -68.7 | 92.5 | 152.5 | -83.3 | -85.7 | 0 | 0 | 0 | 107.9 | Y286 N290 | Y286-F288 VanDerWaalsContact C-N 3.25Å; Y286-F288 PolarHBondContact O-N 3.41Å; F288-N290 PolarHBondContact O-N 2.98Å | ||
| 289 | F | 42.4 | Very low | 41.7 | Very low | 156 Ų | 156 | 134.2 Ų | 134.2 | 68% | 0.684 | 68% | 0.682 | S | S | * | * | trans | -72.6 | 69.5 | 168.9 | -88.2 | -83.5 | 0 | 0 | 0 | 110.7 | V287 R291 | V287-F289 VanDerWaalsContact C-N 3.29Å; V287-F289 HydrophobicContact CB-CD2 4.31Å; V287-F289 HydrophobicContact CB-CE2 4.29Å; V287-F289 HydrophobicContact CG1-CE2 4.22Å; V287-F289 PolarHBondContact O-N 3.03Å; F289-R291 HydrophobicContact CD1-CG 4.23Å; F289-R291 PolarHBondContact O-N 3.43Å | ||
| 290 | N | 30.4 | Very low | 41.3 | Very low | 145 Ų | 145 | 131 Ų | 131 | 78% | 0.775 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | 67.4 | 162.5 | -71 | -3.7 | 0 | 0 | 0 | 109.2 | F288 | F288-N290 PolarHBondContact O-N 2.98Š|
| 291 | R | 36.7 | Very low | 40.7 | Very low | 197 Ų | 197 | 134.1 Ų | 134.1 | 74% | 0.743 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.6 | -20.2 | 176.6 | -80.5 | -157.3 | -178.3 | -156.5 | 5.2 | 114.5 | F289 | F289-R291 HydrophobicContact CD1-CG 4.23Å; F289-R291 PolarHBondContact O-N 3.43Å |
| 292 | F | 41.3 | Very low | 39.8 | Very low | 184 Ų | 184 | 131.6 Ų | 131.6 | 81% | 0.807 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -105.8 | 99.7 | 166.6 | -66 | -71.7 | 0 | 0 | 0 | 108.8 | ||
| 293 | Q | 35.3 | Very low | 39.1 | Very low | 112 Ų | 112 | 130.6 Ų | 130.6 | 52% | 0.523 | 67% | 0.667 | S | S | . | * | trans | -50.3 | 153.6 | 174.9 | -63.7 | 173.7 | -32.1 | 0 | 0 | 110.3 | Q295 | Q293-Q295 PolarHBondContact O-N 2.91Š| ||
| 294 | S | 31.9 | Very low | 38.7 | Very low | 91 Ų | 91 | 130.9 Ų | 130.9 | 64% | 0.636 | 67% | 0.67 | S | S | * | * | trans | -43 | 110 | -178.2 | 40.2 | 0 | 0 | 0 | 0 | 112.4 | L296 R297 | S294-L296 PolarHBondContact O-N 3.4Å; S294-R297 PolarHBondContact O-NE 3.41Å | ||
| 295 | Q | 38.7 | Very low | 38.3 | Very low | 133 Ų | 133 | 135.9 Ų | 135.9 | 62% | 0.621 | 69% | 0.694 | S | S | * | * | trans | -76.5 | 53.9 | 174.2 | -61 | -86.3 | 34.6 | 0 | 0 | 109.8 | Q293 R297 | Q293-Q295 PolarHBondContact O-N 2.91Å; Q295-R297 HydrophobicContact CB-CB 4.45Å; Q295-R297 PolarHBondContact O-N 3.18Å; Q295-R297 VanDerWaalsContact OE1-CB 3.3Å | ||
| 296 | L | 37.2 | Very low | 37.8 | Very low | 172 Ų | 172 | 133.9 Ų | 133.9 | 90% | 0.901 | 69% | 0.694 | S | S | * | * | trans | -75 | 49.6 | 149.6 | -67.9 | 177.1 | 0 | 0 | 0 | 108.1 | S294 | S294-L296 PolarHBondContact O-N 3.4Š| ||
| 297 | R | 36.6 | Very low | 37.7 | Very low | 128 Ų | 128 | 133.3 Ų | 133.3 | 48% | 0.483 | 70% | 0.702 | S | S | . | * | S | Bend | trans | -134.4 | 144.6 | -163.3 | -66.5 | 173.6 | -176.6 | -144.2 | -4.5 | 106.5 | S294 Q295 | S294-R297 PolarHBondContact O-NE 3.41Å; Q295-R297 HydrophobicContact CB-CB 4.45Å; Q295-R297 PolarHBondContact O-N 3.18Å; Q295-R297 VanDerWaalsContact OE1-CB 3.3Å |
| 298 | S | 39.9 | Very low | 37.5 | Very low | 87 Ų | 87 | 131.8 Ų | 131.8 | 61% | 0.608 | 70% | 0.695 | S | S | * | * | trans | -45.6 | 136.6 | 176.7 | 46.1 | 0 | 0 | 0 | 0 | 112 | S300 | S298-S300 PolarHBondContact O-N 3.32Š| ||
| 299 | P | 40.5 | Very low | 37.9 | Very low | 71 Ų | 71 | 133.6 Ų | 133.6 | 46% | 0.461 | 71% | 0.708 | S | S | . | * | trans | -48.6 | 128.9 | 151.8 | -21.3 | 33.1 | 0 | 0 | 0 | 108 | F301 T316 | P299-F301 PolarHBondContact O-N 2.88Å; P299-T316 HydrophobicContact CB-CG2 3.99Å | ||
| 300 | S | 43.6 | Very low | 38 | Very low | 97 Ų | 97 | 132.5 Ų | 132.5 | 68% | 0.678 | 71% | 0.708 | S | S | * | * | trans | -60.4 | 133.7 | -170.5 | -62.1 | 0 | 0 | 0 | 0 | 112.1 | S298 S302 | S298-S300 PolarHBondContact O-N 3.32Å; S300-S302 PolarHBondContact O-N 2.95Å | ||
| 301 | F | 36.1 | Very low | 38.4 | Very low | 181 Ų | 181 | 129.8 Ų | 129.8 | 79% | 0.794 | 72% | 0.715 | S | S | * | * | trans | -67.8 | 115.9 | 143.7 | -65.1 | -89.7 | 0 | 0 | 0 | 106.6 | P299 | P299-F301 PolarHBondContact O-N 2.88Š| ||
| 302 | S | 40 | Very low | 38.9 | Very low | 105 Ų | 105 | 125.5 Ų | 125.5 | 73% | 0.734 | 71% | 0.71 | S | S | * | * | trans | -136.1 | 88.1 | 167.3 | 59.1 | 0 | 0 | 0 | 0 | 106.2 | S300 | S300-S302 PolarHBondContact O-N 2.95Š| ||
| 303 | D | 37.6 | Very low | 39.2 | Very low | 124 Ų | 124 | 128 Ų | 128 | 66% | 0.663 | 71% | 0.714 | S | S | * | * | trans | -73.8 | 144.7 | -167.8 | -50 | -80.3 | 0 | 0 | 0 | 112.1 | ||||
| 304 | N | 37.1 | Very low | 39.8 | Very low | 148 Ų | 148 | 127.3 Ų | 127.3 | 79% | 0.791 | 73% | 0.728 | S | S | * | * | S | Bend | trans | 64 | 138.9 | 165.7 | -60.1 | -22.4 | 0 | 0 | 0 | 119.9 | G306 | N304-G306 PolarHBondContact O-N 3.09Š|
| 305 | N | 36.8 | Very low | 41.1 | Very low | 168 Ų | 168 | 134.2 Ų | 134.2 | 90% | 0.898 | 74% | 0.74 | S | S | * | * | trans | 52.7 | 53.7 | 154.7 | -63.9 | 15.8 | 0 | 0 | 0 | 118.7 | ||||
| 306 | G | 33.2 | Very low | 42.2 | Very low | 74 Ų | 74 | 132.7 Ų | 132.7 | 76% | 0.763 | 74% | 0.74 | S | S | * | * | trans | -121.2 | 99.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | N304 S308 | N304-G306 PolarHBondContact O-N 3.09Å; G306-S308 PolarHBondContact O-N 3.38Å | ||
| 307 | I | 37.6 | Very low | 43.4 | Very low | 172 Ų | 172 | 129.4 Ų | 129.4 | 88% | 0.882 | 73% | 0.729 | S | S | * | * | trans | -72.5 | 112.4 | 168.6 | -61.7 | 172.7 | 0 | 0 | 0 | 108.3 | ||||
| 308 | S | 40.1 | Very low | 44.9 | Very low | 69 Ų | 69 | 132.5 Ų | 132.5 | 48% | 0.483 | 74% | 0.742 | S | S | . | * | trans | -73.4 | 137.3 | 164 | 52.1 | 0 | 0 | 0 | 0 | 109.9 | G306 I310 | G306-S308 PolarHBondContact O-N 3.38Å; S308-I310 CarbonylContact O-C 3.52Å; S308-I310 PolarHBondContact O-N 3.22Å; S308-I310 PolarHBondContact OG-O 2.85Å; S308-I310 VanDerWaalsContact OG-O 3.08Å | ||
| 309 | M | 42.5 | Very low | 46.5 | Very low | 192 Ų | 192 | 133.4 Ų | 133.4 | 95% | 0.946 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -57 | -0.5 | -179.4 | -75.8 | -77.2 | -71.4 | 0 | 0 | 116.1 | ||
| 310 | I | 44.7 | Very low | 48.1 | Very low | 132 Ų | 132 | 134.1 Ų | 134.1 | 68% | 0.677 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -129.2 | 122.9 | 172.8 | -59.3 | 173.2 | 0 | 0 | 0 | 105.3 | S308 V312 | S308-I310 CarbonylContact O-C 3.52Å; S308-I310 PolarHBondContact O-N 3.22Å; S308-I310 PolarHBondContact OG-O 2.85Å; S308-I310 VanDerWaalsContact OG-O 3.08Å; I310-V312 HydrophobicContact CG2-CG2 4.33Å; I310-V312 PolarHBondContact O-N 2.83Å |
| 311 | G | 38.5 | Very low | 49.5 | Very low | 89 Ų | 89 | 134.2 Ų | 134.2 | 92% | 0.918 | 75% | 0.747 | S | S | * | * | trans | -71.5 | 28.6 | -164.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 312 | V | 48.5 | Very low | 51.2 | Low | 106 Ų | 106 | 129.9 Ų | 129.9 | 64% | 0.642 | 74% | 0.737 | S | S | * | * | trans | -101.5 | 117.7 | -178.7 | -179.6 | 0 | 0 | 0 | 0 | 109.6 | I310 A314 | I310-V312 HydrophobicContact CG2-CG2 4.33Å; I310-V312 PolarHBondContact O-N 2.83Å; V312-A314 PolarHBondContact O-N 3.35Å | ||
| 313 | R | 46.8 | Very low | 52.9 | Low | 236 Ų | 236 | 133 Ų | 133 | 89% | 0.891 | 74% | 0.744 | S | S | * | * | trans | -60.9 | 108.1 | 172 | -76.1 | -175.6 | 174.3 | -174.2 | -0.8 | 110 | R315 | R313-R315 PolarHBondContact O-N 3.46Š| ||
| 314 | A | 49 | Very low | 54.3 | Low | 99 Ų | 99 | 132.6 Ų | 132.6 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | trans | -66.3 | 95 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | V312 T316 | V312-A314 PolarHBondContact O-N 3.35Å; A314-T316 PolarHBondContact O-N 3.12Å | ||
| 315 | R | 57.7 | Low | 55.9 | Low | 235 Ų | 235 | 129.4 Ų | 129.4 | 89% | 0.887 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 128 | 172.5 | -61.1 | -171.4 | -174.7 | -147.8 | 5.2 | 109.3 | R313 | R313-R315 PolarHBondContact O-N 3.46Š|
| 316 | T | 63.1 | Low | 57.3 | Low | 102 Ų | 102 | 125.6 Ų | 125.6 | 63% | 0.626 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 134.4 | 174.3 | 35.8 | 0 | 0 | 0 | 0 | 110.5 | P299 A314 Y318 | P299-T316 HydrophobicContact CB-CG2 3.99Å; A314-T316 PolarHBondContact O-N 3.12Å; T316-Y318 PolarHBondContact O-N 2.83Å |
| 317 | P | 62.1 | Low | 58.8 | Low | 103 Ų | 103 | 129.7 Ų | 129.7 | 67% | 0.669 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 132.8 | -177 | 26.8 | -33.7 | 0 | 0 | 0 | 111.4 | T319 | P317-T319 PolarHBondContact O-N 3.2Š|
| 318 | Y | 68.3 | Low | 60.4 | Low | 192 Ų | 192 | 129.3 Ų | 129.3 | 75% | 0.753 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 130.9 | 178 | 175.4 | -98.4 | 0 | 0 | 0 | 111.6 | T316 P320 | T316-Y318 PolarHBondContact O-N 2.83Å; Y318-P320 HydrophobicContact CE1-CB 3.82Å; Y318-P320 HydrophobicContact CE1-CG 4.41Å |
| 319 | T | 73.1 | Confident | 61.5 | Low | 106 Ų | 106 | 137.4 Ų | 137.4 | 65% | 0.65 | 73% | 0.726 | S | S | * | * | trans | -121 | 117.3 | 172.8 | -58.6 | 0 | 0 | 0 | 0 | 108.1 | P317 | P317-T319 PolarHBondContact O-N 3.2Š| ||
| 320 | P | 73.1 | Confident | 62.7 | Low | 87 Ų | 87 | 130.5 Ų | 130.5 | 57% | 0.565 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 150.4 | -176.9 | 26.1 | -33.7 | 0 | 0 | 0 | 112.3 | Y318 | Y318-P320 HydrophobicContact CE1-CB 3.82Å; Y318-P320 HydrophobicContact CE1-CG 4.41Å |
| 321 | P | 73.3 | Confident | 63.5 | Low | 99 Ų | 99 | 130.3 Ų | 130.3 | 64% | 0.643 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 154.3 | 174.9 | 28.8 | -35.1 | 0 | 0 | 0 | 111.6 | I323 | P321-I323 PolarHBondContact O-N 3.06Š|
| 322 | P | 72.2 | Confident | 64.8 | Low | 89 Ų | 89 | 128.2 Ų | 128.2 | 58% | 0.578 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 131.8 | 179.6 | 27.5 | -34.5 | 0 | 0 | 0 | 111.6 | L324 P326 | P322-L324 PolarHBondContact O-N 2.92Å; P322-P326 HydrophobicContact CG-CG 4.42Å |
| 323 | I | 74.8 | Confident | 65.4 | Low | 171 Ų | 171 | 131.1 Ų | 131.1 | 88% | 0.877 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -59.7 | -21.1 | -177.8 | -60.2 | 167.9 | 0 | 0 | 0 | 112.8 | P321 | P321-I323 PolarHBondContact O-N 3.06Š|
| 324 | L | 67.8 | Low | 66.1 | Low | 115 Ų | 115 | 126.3 Ų | 126.3 | 60% | 0.602 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -129.1 | 143.9 | -179.3 | -62.2 | 174.8 | 0 | 0 | 0 | 110.6 | P322 | P322-L324 PolarHBondContact O-N 2.92Š|
| 325 | S | 69.9 | Low | 66.3 | Low | 81 Ų | 81 | 124.8 Ų | 124.8 | 57% | 0.566 | 67% | 0.672 | S | S | * | * | trans | -66.1 | 127.9 | -178.1 | 56 | 0 | 0 | 0 | 0 | 112.2 | L327 R328 | S325-L327 PolarHBondContact O-N 2.85Å; S325-R328 WeakPolarHBondContact O-CB 3.42Å; S325-R328 PolarHBondContact O-N 3.34Å; S325-R328 VanDerWaalsContact O-N 3.11Å | ||
| 326 | P | 67.7 | Low | 66.2 | Low | 89 Ų | 89 | 124.5 Ų | 124.5 | 58% | 0.578 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -17.3 | -177.9 | -27.1 | 35.6 | 0 | 0 | 0 | 115.3 | P322 | P322-P326 HydrophobicContact CG-CG 4.42Š|
| 327 | L | 64.7 | Low | 65.9 | Low | 159 Ų | 159 | 126.3 Ų | 126.3 | 83% | 0.832 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | 1.4 | -179.4 | -60.4 | 176.5 | 0 | 0 | 0 | 113.7 | S325 R329 | S325-L327 PolarHBondContact O-N 2.85Å; L327-R329 PolarHBondContact O-N 2.93Å |
| 328 | R | 70.8 | Confident | 65.4 | Low | 165 Ų | 165 | 131 Ų | 131 | 62% | 0.623 | 68% | 0.68 | S | S | * | * | trans | -63.8 | 130.2 | -177.9 | -166.3 | -168.1 | -174.9 | -81.4 | 11.5 | 111.6 | S325 | S325-R328 WeakPolarHBondContact O-CB 3.42Å; S325-R328 PolarHBondContact O-N 3.34Å; S325-R328 VanDerWaalsContact O-N 3.11Å | ||
| 329 | R | 62.7 | Low | 64.6 | Low | 238 Ų | 238 | 133.2 Ų | 133.2 | 90% | 0.898 | 69% | 0.687 | S | S | * | * | trans | -65.2 | 137.2 | 166.7 | -65.4 | -168.8 | -174.5 | -151.8 | 5.7 | 110.1 | L327 | L327-R329 PolarHBondContact O-N 2.93Š| ||
| 330 | G | 67.1 | Low | 63.1 | Low | 48 Ų | 48 | 134.1 Ų | 134.1 | 50% | 0.495 | 70% | 0.695 | S | S | . | * | S | Bend | trans | 146.5 | 167.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | C335 | G330-C335 WeakPolarHBondContact O-CB 3.26Å; G330-C335 PolarHBondContact O-SG 3.26Å; G330-C335 VanDerWaalsContact O-SG 3.4Å |
| 331 | S | 63.2 | Low | 61.3 | Low | 128 Ų | 128 | 135.5 Ų | 135.5 | 90% | 0.895 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -87.2 | 105.5 | 175.2 | 40.5 | 0 | 0 | 0 | 0 | 110.8 | ||
| 332 | G | 64.5 | Low | 60 | Low | 45 Ų | 45 | 136 Ų | 136 | 46% | 0.464 | 71% | 0.71 | S | S | . | * | S | Bend | trans | -158.1 | 169.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | F334 C335 | G332-F334 PolarHBondContact O-N 2.93Å; G332-C335 PolarHBondContact N-SG 2.78Å; G332-C335 VanDerWaalsContact N-SG 3.42Å; G332-C335 WeakPolarHBondContact O-CB 3.25Å; G332-C335 PolarHBondContact O-N 3.49Å; G332-C335 PolarHBondContact O-SG 2.65Å |
| 333 | L | 62.3 | Low | 58.9 | Low | 167 Ų | 167 | 138.7 Ų | 138.7 | 87% | 0.874 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52 | -32.2 | -174.7 | -83.4 | 157.5 | 0 | 0 | 0 | 114 | ||
| 334 | F | 60.8 | Low | 57.2 | Low | 135 Ų | 135 | 134.8 Ų | 134.8 | 59% | 0.592 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -9.7 | -178.1 | -44.7 | -70 | 0 | 0 | 0 | 114.1 | G332 R336 I337 | G332-F334 PolarHBondContact O-N 2.93Å; F334-R336 VanDerWaalsContact C-N 3.29Å; F334-R336 PolarHBondContact O-N 3.34Å; F334-I337 WeakPolarHBondContact O-CD1 3.34Å; F334-I337 WeakPolarHBondContact O-CG1 3.39Å |
| 335 | C | 54 | Low | 55.5 | Low | 66 Ų | 66 | 135.4 Ų | 135.4 | 45% | 0.446 | 73% | 0.728 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.4 | -8 | -169.9 | 84.4 | 0 | 0 | 0 | 0 | 114.7 | G330 G332 | G330-C335 WeakPolarHBondContact O-CB 3.26Å; G330-C335 PolarHBondContact O-SG 3.26Å; G330-C335 VanDerWaalsContact O-SG 3.4Å; G332-C335 PolarHBondContact N-SG 2.78Å; G332-C335 VanDerWaalsContact N-SG 3.42Å; G332-C335 WeakPolarHBondContact O-CB 3.25Å; G332-C335 PolarHBondContact O-N 3.49Å; G332-C335 PolarHBondContact O-SG 2.65Å |
| 336 | R | 54.6 | Low | 53.9 | Low | 229 Ų | 229 | 141.8 Ų | 141.8 | 86% | 0.864 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | 7.7 | -166.1 | -122.3 | 174.1 | -176.4 | 158.7 | 0.9 | 115 | F334 R338 | F334-R336 VanDerWaalsContact C-N 3.29Å; F334-R336 PolarHBondContact O-N 3.34Å; R336-R338 PolarHBondContact O-N 2.81Å; R336-R338 VanDerWaalsContact O-N 3.13Å |
| 337 | I | 57.9 | Low | 52.5 | Low | 141 Ų | 141 | 143 Ų | 143 | 72% | 0.723 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -75.3 | 0.4 | -167 | -60.9 | 172.6 | 0 | 0 | 0 | 113.8 | F334 | F334-I337 WeakPolarHBondContact O-CD1 3.34Å; F334-I337 WeakPolarHBondContact O-CG1 3.39Å |
| 338 | R | 49.8 | Very low | 51 | Low | 200 Ų | 200 | 140 Ų | 140 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -143 | 79.1 | 178.3 | -69.3 | -173.7 | 177 | 143.8 | 2.5 | 114.7 | R336 | R336-R338 PolarHBondContact O-N 2.81Å; R336-R338 VanDerWaalsContact O-N 3.13Å |
| 339 | R | 52.1 | Low | 49.6 | Very low | 239 Ų | 239 | 137.1 Ų | 137.1 | 90% | 0.902 | 76% | 0.757 | S | S | * | * | trans | -150.6 | 146.7 | 154.4 | -70.9 | -162.6 | 179.5 | 160.9 | 1.8 | 111.3 | ||||
| 340 | P | 42.1 | Very low | 48.4 | Very low | 126 Ų | 126 | 131.4 Ų | 131.4 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | trans | -84 | 172.3 | 176.6 | 34.7 | -35.8 | 0 | 0 | 0 | 114.2 | ||||
| 341 | S | 35.9 | Very low | 47.1 | Very low | 115 Ų | 115 | 135.2 Ų | 135.2 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | -26.3 | 165.5 | 167.9 | -105.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 342 | P | 45.7 | Very low | 45.8 | Very low | 110 Ų | 110 | 139.2 Ų | 139.2 | 71% | 0.714 | 76% | 0.763 | S | S | * | * | cis | -139.3 | -171.7 | 19.9 | 32.5 | -8.3 | 0 | 0 | 0 | 117.6 | ||||
| 343 | V | 49.7 | Very low | 44.6 | Very low | 146 Ų | 146 | 141.2 Ų | 141.2 | 89% | 0.885 | 77% | 0.77 | S | S | * | * | S | Bend | trans | 71.8 | 61 | 164.8 | -154.7 | 0 | 0 | 0 | 0 | 117.8 | ||
| 344 | A | 37.4 | Very low | 43.4 | Very low | 89 Ų | 89 | 143 Ų | 143 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -149.7 | 159.7 | 157.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 345 | P | 32.2 | Very low | 42.5 | Very low | 128 Ų | 128 | 145.6 Ų | 145.6 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | trans | -68.9 | 157.1 | -162.9 | 23.7 | -33.3 | 0 | 0 | 0 | 116.7 | S347 | P345-S347 PolarHBondContact O-N 3.25Š| ||
| 346 | K | 36.1 | Very low | 42 | Very low | 214 Ų | 214 | 149 Ų | 149 | 93% | 0.93 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -84.4 | 91.2 | -161.7 | -55.4 | 171.5 | -176.2 | 176.7 | 0 | 113.7 | ||
| 347 | S | 38.7 | Very low | 41.3 | Very low | 115 Ų | 115 | 143 Ų | 143 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -155.8 | 3.5 | 166.4 | 65.1 | 0 | 0 | 0 | 0 | 117.1 | P345 P349 | P345-S347 PolarHBondContact O-N 3.25Å; S347-P349 WeakPolarHBondContact O-CD 3.39Å | ||
| 348 | A | 33 | Very low | 40.5 | Very low | 97 Ų | 97 | 145.2 Ų | 145.2 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | trans | -103.9 | 96.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 349 | P | 41.4 | Very low | 40.5 | Very low | 103 Ų | 103 | 146.5 Ų | 146.5 | 67% | 0.669 | 79% | 0.789 | S | S | * | * | trans | -72.2 | 142.5 | 176.6 | 29.7 | -35 | 0 | 0 | 0 | 112 | S347 | S347-P349 WeakPolarHBondContact O-CD 3.39Š| ||
| 350 | V | 38.3 | Very low | 39.6 | Very low | 118 Ų | 118 | 140.5 Ų | 140.5 | 72% | 0.715 | 77% | 0.771 | S | S | * | * | trans | -65.5 | 144.5 | 168.5 | 178.3 | 0 | 0 | 0 | 0 | 109.5 | Y352 | V350-Y352 HydrophobicContact CG1-CD2 4.13Å; V350-Y352 HydrophobicContact CG1-CE2 3.76Å | ||
| 351 | C | 40 | Very low | 39.3 | Very low | 129 Ų | 129 | 141 Ų | 141 | 87% | 0.872 | 77% | 0.767 | S | S | * | * | trans | -143.2 | 152.2 | 159.1 | -136.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 352 | Y | 35.5 | Very low | 39.7 | Very low | 211 Ų | 211 | 145.4 Ų | 145.4 | 83% | 0.827 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 157.6 | -155.5 | -80.2 | -108.3 | 0 | 0 | 0 | 114.4 | V350 | V350-Y352 HydrophobicContact CG1-CD2 4.13Å; V350-Y352 HydrophobicContact CG1-CE2 3.76Å |
| 353 | S | 39.8 | Very low | 39.2 | Very low | 88 Ų | 88 | 146.3 Ų | 146.3 | 62% | 0.615 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 121.6 | 169.8 | 175.5 | 0 | 0 | 0 | 0 | 110.4 | ||
| 354 | R | 36.7 | Very low | 38.4 | Very low | 205 Ų | 205 | 145.4 Ų | 145.4 | 77% | 0.774 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 122.7 | 157.3 | -175.9 | 167.3 | -83.4 | -102.8 | 7.8 | 108 | E356 | R354-E356 WeakPolarHBondContact CD-OE1 3.31Å; R354-E356 HydrophobicContact CG-CG 4.16Å; R354-E356 WeakPolarHBondContact CG-OE1 3.47Å; R354-E356 IonicContact CZ-OE1 3.55Å; R354-E356 IonicContact NE-OE1 3.7Å; R354-E356 IonicContact NH1-OE1 2.67Å; R354-E356 PolarHBondContact NH1-OE1 2.88Å |
| 355 | K | 41.4 | Very low | 38.4 | Very low | 188 Ų | 188 | 147.1 Ų | 147.1 | 82% | 0.817 | 75% | 0.746 | S | S | * | * | trans | -100.2 | 96.5 | 179.6 | -68.4 | 176.3 | 179.8 | 176.1 | 0 | 108.9 | ||||
| 356 | E | 43.8 | Very low | 38.5 | Very low | 137 Ų | 137 | 149.2 Ų | 149.2 | 64% | 0.64 | 75% | 0.748 | S | S | * | * | trans | -130.7 | 134.7 | 174.3 | -73.1 | 169.1 | -149.8 | 0 | 0 | 109.5 | R354 | R354-E356 WeakPolarHBondContact CD-OE1 3.31Å; R354-E356 HydrophobicContact CG-CG 4.16Å; R354-E356 WeakPolarHBondContact CG-OE1 3.47Å; R354-E356 IonicContact CZ-OE1 3.55Å; R354-E356 IonicContact NE-OE1 3.7Å; R354-E356 IonicContact NH1-OE1 2.67Å; R354-E356 PolarHBondContact NH1-OE1 2.88Å | ||
| 357 | S | 39.1 | Very low | 38.4 | Very low | 104 Ų | 104 | 141.9 Ų | 141.9 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | trans | -114.9 | 80.4 | -146.2 | 51.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 358 | F | 41.4 | Very low | 38.5 | Very low | 187 Ų | 187 | 145.7 Ų | 145.7 | 82% | 0.82 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -1.6 | 177.7 | -159.5 | -105.8 | 0 | 0 | 0 | 114.5 | E360 | F358-E360 VanDerWaalsContact C-N 3.35Å; F358-E360 PolarHBondContact O-N 3.41Å |
| 359 | W | 49.5 | Very low | 38.7 | Very low | 227 Ų | 227 | 149.2 Ų | 149.2 | 86% | 0.86 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -10 | -173.3 | -74.1 | 103.6 | 0 | 0 | 0 | 116 | K363 | W359-K363 WeakPolarHBondContact O-CE 3.32Š|
| 360 | E | 34.6 | Very low | 38.5 | Very low | 113 Ų | 113 | 151.7 Ų | 151.7 | 53% | 0.528 | 72% | 0.722 | S | S | . | * | S | Bend | trans | -89.5 | -43.3 | -164.1 | -130.4 | 54.5 | -106 | 0 | 0 | 114 | F358 K363 | F358-E360 VanDerWaalsContact C-N 3.35Å; F358-E360 PolarHBondContact O-N 3.41Å; E360-K363 IonicContact OE1-NZ 2.64Å; E360-K363 PolarHBondContact OE1-NZ 3.07Å |
| 361 | N | 34.4 | Very low | 38.6 | Very low | 138 Ų | 138 | 154 Ų | 154 | 74% | 0.738 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | 141.2 | -171 | -74.6 | -27.1 | 0 | 0 | 0 | 112.5 | ||
| 362 | R | 44.8 | Very low | 38.7 | Very low | 206 Ų | 206 | 155.5 Ų | 155.5 | 78% | 0.777 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 73 | 34.5 | -175.6 | -61.6 | -178 | -71.9 | -156.1 | -2.6 | 116.2 | H364 | R362-H364 CarbonylContact C-O 3.58Å; R362-H364 VanDerWaalsContact CA-N 3.35Å; R362-H364 WeakPolarHBondContact CA-O 3.47Å; R362-H364 VanDerWaalsContact CB-O 3.29Å; R362-H364 WeakPolarHBondContact CB-O 3.45Å; R362-H364 WeakPolarHBondContact CG-O 3.39Å; R362-H364 PolarHBondContact O-N 3.36Å; R362-H364 VanDerWaalsContact O-N 3.1Å |
| 363 | K | 35.9 | Very low | 38.6 | Very low | 129 Ų | 129 | 155.2 Ų | 155.2 | 56% | 0.561 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -67.5 | 24.1 | 133.8 | -60.1 | 164.6 | -170.6 | 166.4 | 0 | 111.9 | W359 E360 | W359-K363 WeakPolarHBondContact O-CE 3.32Å; E360-K363 IonicContact OE1-NZ 2.64Å; E360-K363 PolarHBondContact OE1-NZ 3.07Å |
| 364 | H | 31.7 | Very low | 38.6 | Very low | 128 Ų | 128 | 158.7 Ų | 158.7 | 59% | 0.593 | 72% | 0.724 | S | S | * | * | trans | -147.3 | 131.8 | -175.3 | -42.5 | -45 | 0 | 0 | 0 | 104.7 | R362 | R362-H364 CarbonylContact C-O 3.58Å; R362-H364 VanDerWaalsContact CA-N 3.35Å; R362-H364 WeakPolarHBondContact CA-O 3.47Å; R362-H364 VanDerWaalsContact CB-O 3.29Å; R362-H364 WeakPolarHBondContact CB-O 3.45Å; R362-H364 WeakPolarHBondContact CG-O 3.39Å; R362-H364 PolarHBondContact O-N 3.36Å; R362-H364 VanDerWaalsContact O-N 3.1Å | ||
| 365 | T | 38.4 | Very low | 38.8 | Very low | 124 Ų | 124 | 158.4 Ų | 158.4 | 76% | 0.761 | 73% | 0.728 | S | S | * | * | cis | -111.8 | 102.5 | 17.3 | 7.4 | 0 | 0 | 0 | 0 | 111.7 | S367 | T365-S367 PolarHBondContact O-N 2.81Š| ||
| 366 | I | 33.5 | Very low | 38.9 | Very low | 173 Ų | 173 | 156.4 Ų | 156.4 | 89% | 0.887 | 72% | 0.722 | S | S | * | * | trans | -63.9 | 98.4 | 146.1 | -67.4 | 175.2 | 0 | 0 | 0 | 104.8 | ||||
| 367 | S | 34.9 | Very low | 39.4 | Very low | 59 Ų | 59 | 158.4 Ų | 158.4 | 41% | 0.413 | 73% | 0.728 | S | S | . | * | trans | -157.4 | 108.1 | -171.6 | 179.7 | 0 | 0 | 0 | 0 | 112.4 | T365 | T365-S367 PolarHBondContact O-N 2.81Š| ||
| 368 | R | 39.5 | Very low | 40.4 | Very low | 195 Ų | 195 | 163.9 Ų | 163.9 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | 60.5 | 115 | 129 | -53.2 | -178.8 | -170.9 | 169.7 | 0.6 | 117 | |||||
| 369 | Y | 37.5 | Very low | 41.8 | Very low | 171 Ų | 171 | 159.2 Ų | 159.2 | 67% | 0.671 | 72% | 0.72 | S | S | * | * | cis | -147.2 | 153.4 | -6.4 | -76.7 | -64.2 | 0 | 0 | 0 | 105.1 | K371 | Y369-K371 HydrophobicContact CD1-CG 4.4Š| ||
| 370 | D | 36.9 | Very low | 43 | Very low | 155 Ų | 155 | 155.3 Ų | 155.3 | 83% | 0.829 | 72% | 0.715 | S | S | * | * | -139.7 | 161 | 65.8 | -136.6 | -30.4 | 0 | 0 | 0 | 115.6 | H372 | D370-H372 PolarHBondContact O-N 2.97Š| |||
| 371 | K | 42.1 | Very low | 45 | Very low | 168 Ų | 168 | 154.2 Ų | 154.2 | 73% | 0.73 | 71% | 0.712 | S | S | * | * | trans | -89.1 | 22 | -163.8 | -73.2 | -174.6 | -179.9 | 174.4 | 0 | 115.8 | Y369 F373 | Y369-K371 HydrophobicContact CD1-CG 4.4Å; K371-F373 PolarHBondContact O-N 3.47Å | ||
| 372 | H | 40.3 | Very low | 47 | Very low | 159 Ų | 159 | 153.3 Ų | 153.3 | 74% | 0.736 | 71% | 0.712 | S | S | * | * | trans | -74.5 | 91.3 | 170.1 | -103 | -91.2 | 0 | 0 | 0 | 110.9 | D370 F374 | D370-H372 PolarHBondContact O-N 2.97Å; H372-F374 HydrophobicContact CB-CD2 4.13Å; H372-F374 HydrophobicContact CB-CE2 4.45Å; H372-F374 AromaticContact ND1-CD2 3.94Å; H372-F374 AromaticContact ND1-CE2 3.56Å; H372-F374 PolarHBondContact O-N 2.83Å | ||
| 373 | F | 34.6 | Very low | 48.3 | Very low | 206 Ų | 206 | 144.1 Ų | 144.1 | 90% | 0.904 | 68% | 0.681 | S | S | * | * | trans | -74.1 | 61.8 | 173.6 | -146.7 | -70.2 | 0 | 0 | 0 | 110.1 | K371 K375 | K371-F373 PolarHBondContact O-N 3.47Å; F373-K375 PolarHBondContact O-N 2.88Å; F373-K375 VanDerWaalsContact O-N 3.16Å | ||
| 374 | F | 39.1 | Very low | 50.2 | Low | 160 Ų | 160 | 143.6 Ų | 143.6 | 70% | 0.702 | 69% | 0.689 | S | S | * | * | trans | -55.9 | 125.1 | 169.3 | -96 | -79 | 0 | 0 | 0 | 108 | H372 E376 | H372-F374 HydrophobicContact CB-CD2 4.13Å; H372-F374 HydrophobicContact CB-CE2 4.45Å; H372-F374 AromaticContact ND1-CD2 3.94Å; H372-F374 AromaticContact ND1-CE2 3.56Å; H372-F374 PolarHBondContact O-N 2.83Å; F374-E376 PolarHBondContact O-N 2.71Å | ||
| 375 | K | 41.1 | Very low | 52.4 | Low | 199 Ų | 199 | 143.8 Ų | 143.8 | 87% | 0.865 | 69% | 0.69 | S | S | * | * | trans | -76.6 | 53.1 | 178.8 | -167.3 | 178.7 | 179.8 | 178.3 | 0 | 109.1 | F373 K377 | F373-K375 PolarHBondContact O-N 2.88Å; F373-K375 VanDerWaalsContact O-N 3.16Å; K375-K377 PolarHBondContact O-N 2.84Å | ||
| 376 | E | 43.5 | Very low | 54.3 | Low | 146 Ų | 146 | 143.8 Ų | 143.8 | 68% | 0.682 | 68% | 0.677 | S | S | * | * | trans | -72.1 | 79.5 | -178.2 | -169.2 | 159.1 | -127 | 0 | 0 | 108.6 | F374 F378 H379 | F374-E376 PolarHBondContact O-N 2.71Å; E376-F378 PolarHBondContact O-N 3.19Å; E376-H379 IonicContact OE1-CE1 3.43Å; E376-H379 PolarHBondContact OE1-CE1 2.86Å | ||
| 377 | K | 53.9 | Low | 56.2 | Low | 179 Ų | 179 | 141.5 Ų | 141.5 | 78% | 0.778 | 66% | 0.662 | S | S | * | * | trans | -39.9 | 121.6 | 162.2 | 176.2 | -174.9 | -179.1 | -175 | 0 | 107.2 | K375 H379 | K375-K377 PolarHBondContact O-N 2.84Å; K377-H379 VanDerWaalsContact C-N 3.31Å; K377-H379 PolarHBondContact O-N 2.72Å; K377-H379 PolarHBondContact O-ND1 2.94Å | ||
| 378 | F | 61.6 | Low | 57.7 | Low | 219 Ų | 219 | 142.9 Ų | 142.9 | 96% | 0.961 | 68% | 0.677 | S | S | * | * | trans | -48.2 | 99 | 174.5 | -72.8 | -80 | 0 | 0 | 0 | 109.2 | E376 | E376-F378 PolarHBondContact O-N 3.19Š| ||
| 379 | H | 69.4 | Low | 59.1 | Low | 90 Ų | 90 | 140.4 Ų | 140.4 | 42% | 0.417 | 68% | 0.684 | S | S | . | * | trans | -110.1 | 142.2 | 178.9 | 72.8 | -85.7 | 0 | 0 | 0 | 106.5 | E376 K377 | E376-H379 IonicContact OE1-CE1 3.43Å; E376-H379 PolarHBondContact OE1-CE1 2.86Å; K377-H379 VanDerWaalsContact C-N 3.31Å; K377-H379 PolarHBondContact O-N 2.72Å; K377-H379 PolarHBondContact O-ND1 2.94Å | ||
| 380 | I | 74.9 | Confident | 60.6 | Low | 145 Ų | 145 | 138 Ų | 138 | 74% | 0.744 | 69% | 0.687 | S | S | * | * | trans | -74.3 | 129.6 | 167.5 | -56.6 | 173.7 | 0 | 0 | 0 | 104.8 | V382 | I380-V382 HydrophobicContact CB-CG2 3.86Å; I380-V382 HydrophobicContact CG2-CG2 3.65Å; I380-V382 PolarHBondContact O-N 2.96Å | ||
| 381 | N | 77.6 | Confident | 62.1 | Low | 89 Ų | 89 | 132.3 Ų | 132.3 | 48% | 0.476 | 66% | 0.658 | S | S | . | * | trans | -64.1 | 83.3 | 173.5 | -69.1 | 57.1 | 0 | 0 | 0 | 109.4 | Y386 | N381-Y386 HydrophobicContact CB-CD1 3.84Å; N381-Y386 HydrophobicContact CB-CD2 3.85Å; N381-Y386 HydrophobicContact CB-CE1 4.32Å; N381-Y386 HydrophobicContact CB-CE2 4.33Å; N381-Y386 HydrophobicContact CB-CG 3.59Å; N381-Y386 WeakPolarHBondContact ND2-CD1 3.42Å; N381-Y386 WeakPolarHBondContact ND2-CE1 3.38Å | ||
| 382 | V | 75.1 | Confident | 63.6 | Low | 120 Ų | 120 | 127.6 Ų | 127.6 | 73% | 0.727 | 65% | 0.646 | S | S | * | * | trans | -106.9 | 97.7 | -177.6 | 179.1 | 0 | 0 | 0 | 0 | 108.4 | I380 | I380-V382 HydrophobicContact CB-CG2 3.86Å; I380-V382 HydrophobicContact CG2-CG2 3.65Å; I380-V382 PolarHBondContact O-N 2.96Å | ||
| 383 | G | 72.2 | Confident | 65.4 | Low | 13 Ų | 13 | 123.7 Ų | 123.7 | 13% | 0.134 | 64% | 0.642 | C | S | . | * | S | Bend | trans | -168.7 | 168.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | E385 Q387 | G383-E385 VanDerWaalsContact C-N 3.35Å; G383-E385 VanDerWaalsContact C-OE2 3.27Å; G383-E385 VanDerWaalsContact CA-OE2 3.27Å; G383-E385 WeakPolarHBondContact CA-OE2 3.43Å; G383-Q387 WeakPolarHBondContact O-CG 3.48Å; G383-Q387 PolarHBondContact O-NE2 2.6Å |
| 384 | T | 75.7 | Confident | 67.7 | Low | 117 Ų | 117 | 117.2 Ų | 117.2 | 72% | 0.718 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -75.4 | -29 | 175 | 39.4 | 0 | 0 | 0 | 0 | 111.8 | Y386 Q387 | T384-Y386 PolarHBondContact O-N 3.15Å; T384-Q387 PolarHBondContact O-N 2.62Å; T384-Q387 VanDerWaalsContact O-N 3.14Å |
| 385 | E | 78.2 | Confident | 70.1 | Confident | 132 Ų | 132 | 111 Ų | 111 | 62% | 0.617 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | -23.4 | 172 | 70.3 | -74.9 | -178.8 | 0 | 0 | 113.6 | G383 | G383-E385 VanDerWaalsContact C-N 3.35Å; G383-E385 VanDerWaalsContact C-OE2 3.27Å; G383-E385 VanDerWaalsContact CA-OE2 3.27Å; G383-E385 WeakPolarHBondContact CA-OE2 3.43Å |
| 386 | Y | 78.3 | Confident | 72.4 | Confident | 125 Ų | 125 | 102.7 Ų | 102.7 | 49% | 0.49 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.6 | 0.5 | 174.8 | -58 | -65.8 | 0 | 0 | 0 | 113.5 | N381 T384 | N381-Y386 HydrophobicContact CB-CD1 3.84Å; N381-Y386 HydrophobicContact CB-CD2 3.85Å; N381-Y386 HydrophobicContact CB-CE1 4.32Å; N381-Y386 HydrophobicContact CB-CE2 4.33Å; N381-Y386 HydrophobicContact CB-CG 3.59Å; N381-Y386 WeakPolarHBondContact ND2-CD1 3.42Å; N381-Y386 WeakPolarHBondContact ND2-CE1 3.38Å; T384-Y386 PolarHBondContact O-N 3.15Å |
| 387 | Q | 73.6 | Confident | 74.6 | Confident | 125 Ų | 125 | 102.6 Ų | 102.6 | 58% | 0.584 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -98.3 | 131.4 | 175.2 | -73.6 | 168 | 60 | 0 | 0 | 109.8 | G383 T384 T389 | G383-Q387 WeakPolarHBondContact O-CG 3.48Å; G383-Q387 PolarHBondContact O-NE2 2.6Å; T384-Q387 PolarHBondContact O-N 2.62Å; T384-Q387 VanDerWaalsContact O-N 3.14Å; Q387-T389 PolarHBondContact O-N 3.2Å |
| 388 | A | 67.1 | Low | 76.3 | Confident | 88 Ų | 88 | 94.6 Ų | 94.6 | 73% | 0.727 | 53% | 0.527 | S | S | * | . | trans | -61.2 | 131.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | V390 | A388-V390 VanDerWaalsContact C-N 3.32Å; A388-V390 WeakPolarHBondContact O-CG2 3.36Å; A388-V390 PolarHBondContact O-N 3.19Å | ||
| 389 | T | 68.3 | Low | 77.6 | Confident | 142 Ų | 142 | 84.2 Ų | 84.2 | 87% | 0.871 | 48% | 0.482 | S | S | * | . | trans | -67.2 | 88.3 | 175.6 | -47.6 | 0 | 0 | 0 | 0 | 110 | Q387 P391 | Q387-T389 PolarHBondContact O-N 3.2Å; T389-P391 WeakPolarHBondContact O-CD 3.45Å | ||
| 390 | V | 68.3 | Low | 78.6 | Confident | 120 Ų | 120 | 82.1 Ų | 82.1 | 73% | 0.727 | 47% | 0.473 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 117.9 | -177.5 | -174.6 | 0 | 0 | 0 | 0 | 109.3 | A388 S392 | A388-V390 VanDerWaalsContact C-N 3.32Å; A388-V390 WeakPolarHBondContact O-CG2 3.36Å; A388-V390 PolarHBondContact O-N 3.19Å; V390-S392 PolarHBondContact O-N 3.1Å |
| 391 | P | 68.6 | Low | 79.2 | Confident | 36 Ų | 36 | 80.2 Ų | 80.2 | 23% | 0.234 | 46% | 0.461 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 137.4 | 174.5 | 23.4 | -32.1 | 0 | 0 | 0 | 109.5 | T389 A393 V396 V429 | T389-P391 WeakPolarHBondContact O-CD 3.45Å; P391-A393 PolarHBondContact O-N 3.35Å; P391-V396 HydrophobicContact CB-CG2 4.06Å; P391-V396 HydrophobicContact CG-CG2 3.76Å; P391-V396 WeakPolarHBondContact O-CG2 3.49Å; P391-V429 HydrophobicContact CB-CG2 4.18Å |
| 392 | S | 73.6 | Confident | 79.7 | Confident | 69 Ų | 69 | 76.7 Ų | 76.7 | 48% | 0.483 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -53.2 | 134 | -165 | 72.2 | 0 | 0 | 0 | 0 | 112.6 | V390 P394 L395 V396 | V390-S392 PolarHBondContact O-N 3.1Å; S392-P394 VanDerWaalsContact C-CD 3.43Å; S392-P394 VanDerWaalsContact C-N 3.35Å; S392-P394 VanDerWaalsContact O-N 3.14Å; S392-L395 WeakPolarHBondContact O-CA 3.46Å; S392-L395 VanDerWaalsContact O-CB 3.32Å; S392-L395 WeakPolarHBondContact O-CB 3.32Å; S392-L395 PolarHBondContact O-N 2.86Å; S392-L395 WeakPolarHBondContact OG-CB 3.44Å; S392-V396 PolarHBondContact O-N 3.43Å |
| 393 | A | 77.8 | Confident | 80.3 | Confident | 78 Ų | 78 | 71.1 Ų | 71.1 | 65% | 0.645 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -45.6 | -46 | -176 | 0 | 0 | 0 | 0 | 0 | 115.2 | P391 L395 V396 E397 | P391-A393 PolarHBondContact O-N 3.35Å; A393-L395 VanDerWaalsContact C-N 3.31Å; A393-L395 PolarHBondContact O-N 2.82Å; A393-V396 PolarHBondContact O-N 3.16Å; A393-E397 WeakPolarHBondContact O-CB 3.49Å; A393-E397 PolarHBondContact O-N 3.11Å |
| 394 | P | 84.6 | Confident | 80.8 | Confident | 70 Ų | 70 | 73.3 Ų | 73.3 | 46% | 0.455 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -68.7 | -24.5 | 178 | 27.9 | -36.5 | 0 | 0 | 0 | 114.2 | S392 A398 | S392-P394 VanDerWaalsContact C-CD 3.43Å; S392-P394 VanDerWaalsContact C-N 3.35Å; S392-P394 VanDerWaalsContact O-N 3.14Å; P394-A398 VanDerWaalsContact O-CB 3.26Å; P394-A398 WeakPolarHBondContact O-CB 3.34Å; P394-A398 PolarHBondContact O-N 3.05Å |
| 395 | L | 88 | Confident | 81.1 | Confident | 28 Ų | 28 | 69.3 Ų | 69.3 | 15% | 0.147 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -73 | -42.1 | 175.1 | 179.9 | 66.2 | 0 | 0 | 0 | 110.8 | N212 M214 S392 A393 A398 F399 V429 | N212-L395 HydrophobicContact CB-CD1 4.11Å; M214-L395 HydrophobicContact CE-CD1 4.36Å; M214-L395 HydrophobicContact SD-CD1 3.44Å; M214-L395 WeakPolarHBondContact SD-CD1 3.44Å; S392-L395 WeakPolarHBondContact O-CA 3.46Å; S392-L395 VanDerWaalsContact O-CB 3.32Å; S392-L395 WeakPolarHBondContact O-CB 3.32Å; S392-L395 PolarHBondContact O-N 2.86Å; S392-L395 WeakPolarHBondContact OG-CB 3.44Å; A393-L395 VanDerWaalsContact C-N 3.31Å; A393-L395 PolarHBondContact O-N 2.82Å; L395-A398 PolarHBondContact O-N 3.45Å; L395-F399 PolarHBondContact O-N 3.05Å; L395-V429 HydrophobicContact CD1-CG1 4.15Å; L395-V429 HydrophobicContact CD2-CB 4.1Å; L395-V429 HydrophobicContact CD2-CG2 3.95Å; L395-V429 HydrophobicContact CG-CB 4.1Å; L395-V429 HydrophobicContact CG-CG1 3.99Å; L395-V429 HydrophobicContact CG-CG2 4.01Å |
| 396 | V | 89.5 | Confident | 81.2 | Confident | 26 Ų | 26 | 69.1 Ų | 69.1 | 16% | 0.158 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -67.2 | -42.2 | 173.9 | -176.5 | 0 | 0 | 0 | 0 | 110.9 | P391 S392 A393 A398 F399 L400 L422 | P391-V396 HydrophobicContact CB-CG2 4.06Å; P391-V396 HydrophobicContact CG-CG2 3.76Å; P391-V396 WeakPolarHBondContact O-CG2 3.49Å; S392-V396 PolarHBondContact O-N 3.43Å; A393-V396 PolarHBondContact O-N 3.16Å; V396-A398 VanDerWaalsContact C-N 3.34Å; V396-A398 PolarHBondContact O-N 3.35Å; V396-F399 PolarHBondContact O-N 2.98Å; V396-L400 HydrophobicContact CG1-CD1 4.3Å; V396-L400 HydrophobicContact CG1-CG 4.44Å; V396-L400 WeakPolarHBondContact O-CG 3.45Å; V396-L400 PolarHBondContact O-N 3.34Å; V396-L422 HydrophobicContact CG1-CD2 4.13Å; V396-L422 HydrophobicContact CG2-CD2 4.42Å |
| 397 | E | 90.3 | Very high | 81.1 | Confident | 144 Ų | 144 | 65.4 Ų | 65.4 | 67% | 0.673 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -61.5 | -40.6 | 175.5 | -171.5 | 172.1 | -161.2 | 0 | 0 | 111.8 | A393 L400 H401 | A393-E397 WeakPolarHBondContact O-CB 3.49Å; A393-E397 PolarHBondContact O-N 3.11Å; E397-L400 PolarHBondContact O-N 3.24Å; E397-H401 WeakPolarHBondContact O-CB 3.43Å; E397-H401 PolarHBondContact O-N 2.81Å |
| 398 | A | 89.3 | Confident | 81.4 | Confident | 10 Ų | 10 | 60 Ų | 60 | 8% | 0.083 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.6 | -39.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L208 P394 L395 V396 H401 L402 | L208-A398 HydrophobicContact CD2-CB 3.76Å; L208-A398 HydrophobicContact CG-CB 4.4Å; P394-A398 VanDerWaalsContact O-CB 3.26Å; P394-A398 WeakPolarHBondContact O-CB 3.34Å; P394-A398 PolarHBondContact O-N 3.05Å; L395-A398 PolarHBondContact O-N 3.45Å; V396-A398 VanDerWaalsContact C-N 3.34Å; V396-A398 PolarHBondContact O-N 3.35Å; A398-H401 CarbonylContact O-C 3.46Å; A398-H401 PolarHBondContact O-N 2.93Å; A398-L402 PolarHBondContact O-N 2.9Å |
| 399 | F | 90.1 | Very high | 81.5 | Confident | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.009 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -70.3 | -38.8 | 176.7 | 167.3 | -106 | 0 | 0 | 0 | 112.8 | L395 V396 H401 L402 A403 A418 L422 V429 A432 A433 L436 | L395-F399 PolarHBondContact O-N 3.05Å; V396-F399 PolarHBondContact O-N 2.98Å; F399-H401 VanDerWaalsContact C-N 3.28Å; F399-H401 PolarHBondContact O-N 2.72Å; F399-L402 WeakPolarHBondContact O-CB 3.26Å; F399-L402 PolarHBondContact O-N 3.37Å; F399-L402 VanDerWaalsContact O-N 3.12Å; F399-A403 PolarHBondContact O-N 2.99Å; F399-A418 HydrophobicContact CD1-CB 4.5Å; F399-A418 HydrophobicContact CE1-CB 3.74Å; F399-A418 VanDerWaalsContact CE1-O 3.26Å; F399-A418 WeakPolarHBondContact CE1-O 3.36Å; F399-A418 HydrophobicContact CZ-CB 4Å; F399-L422 HydrophobicContact CE1-CB 4Å; F399-V429 HydrophobicContact CB-CG1 3.58Å; F399-V429 HydrophobicContact CD2-CG1 4.16Å; F399-V429 HydrophobicContact CG-CG1 3.88Å; F399-A432 HydrophobicContact CE1-CB 4.41Å; F399-A432 HydrophobicContact CE2-CB 3.76Å; F399-A432 HydrophobicContact CZ-CB 3.65Å; F399-A433 HydrophobicContact CD2-CB 4.15Å; F399-A433 HydrophobicContact CE2-CB 4.39Å; F399-L436 HydrophobicContact CD2-CD2 4.25Å; F399-L436 HydrophobicContact CE2-CB 4.49Å; F399-L436 HydrophobicContact CE2-CD2 3.58Å; F399-L436 HydrophobicContact CZ-CD2 4.15Å |
| 400 | L | 89.6 | Confident | 81.3 | Confident | 45 Ų | 45 | 53.3 Ų | 53.3 | 24% | 0.236 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.1 | -34 | 170.3 | -68.2 | 177.1 | 0 | 0 | 0 | 112 | V396 E397 S404 T415 A418 L419 | V396-L400 HydrophobicContact CG1-CD1 4.3Å; V396-L400 HydrophobicContact CG1-CG 4.44Å; V396-L400 WeakPolarHBondContact O-CG 3.45Å; V396-L400 PolarHBondContact O-N 3.34Å; E397-L400 PolarHBondContact O-N 3.24Å; L400-S404 PolarHBondContact O-N 3.09Å; L400-S404 PolarHBondContact O-OG 2.96Å; L400-T415 HydrophobicContact CD2-CG2 4.32Å; L400-A418 HydrophobicContact CD2-CB 3.76Å; L400-L419 HydrophobicContact CD2-CD2 4.49Å; L400-L419 HydrophobicContact CD2-CG 4.31Å |
| 401 | H | 88 | Confident | 80.8 | Confident | 105 Ų | 105 | 49 Ų | 49 | 49% | 0.486 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -71.9 | -29.2 | 171.8 | -160.8 | -42.4 | 0 | 0 | 0 | 112.4 | E397 A398 F399 S404 S405 | E397-H401 WeakPolarHBondContact O-CB 3.43Å; E397-H401 PolarHBondContact O-N 2.81Å; A398-H401 CarbonylContact O-C 3.46Å; A398-H401 PolarHBondContact O-N 2.93Å; F399-H401 VanDerWaalsContact C-N 3.28Å; F399-H401 PolarHBondContact O-N 2.72Å; H401-S404 WeakPolarHBondContact CA-OG 3.42Å; H401-S404 PolarHBondContact O-OG 3.19Å; H401-S405 WeakPolarHBondContact O-CB 3.47Å; H401-S405 PolarHBondContact O-N 2.74Å |
| 402 | L | 88 | Confident | 80.4 | Confident | 16 Ų | 16 | 48.2 Ų | 48.2 | 8% | 0.084 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.2 | -43.9 | 171 | -179.2 | 63.9 | 0 | 0 | 0 | 111.1 | W220 A398 F399 S404 S405 A407 V408 A433 T437 | W220-L402 HydrophobicContact CH2-CD1 4.16Å; W220-L402 HydrophobicContact CZ2-CD1 4.41Å; A398-L402 PolarHBondContact O-N 2.9Å; F399-L402 WeakPolarHBondContact O-CB 3.26Å; F399-L402 PolarHBondContact O-N 3.37Å; F399-L402 VanDerWaalsContact O-N 3.12Å; L402-S404 PolarHBondContact O-N 3.2Å; L402-S405 WeakPolarHBondContact O-CB 3.38Å; L402-S405 PolarHBondContact O-N 3.38Å; L402-A407 HydrophobicContact CD1-CB 4.41Å; L402-V408 WeakPolarHBondContact O-CG2 3.46Å; L402-A433 HydrophobicContact CD2-CB 3.88Å; L402-T437 HydrophobicContact CD2-CG2 4.47Å |
| 403 | A | 87.1 | Confident | 80 | Confident | 3 Ų | 3 | 49.8 Ų | 49.8 | 3% | 0.025 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.5 | -23.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | F399 A418 L436 | F399-A403 PolarHBondContact O-N 2.99Å; A403-A418 HydrophobicContact CB-CB 3.59Å; A403-L436 HydrophobicContact CB-CD1 4.47Å; A403-L436 HydrophobicContact CB-CD2 3.74Å |
| 404 | S | 82.6 | Confident | 79.9 | Confident | 59 Ų | 59 | 46.5 Ų | 46.5 | 41% | 0.413 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | 12.4 | 173.7 | 49.4 | 0 | 0 | 0 | 0 | 113.3 | L400 H401 L402 | L400-S404 PolarHBondContact O-N 3.09Å; L400-S404 PolarHBondContact O-OG 2.96Å; H401-S404 WeakPolarHBondContact CA-OG 3.42Å; H401-S404 PolarHBondContact O-OG 3.19Å; L402-S404 PolarHBondContact O-N 3.2Å |
| 405 | S | 83 | Confident | 79.9 | Confident | 33 Ų | 33 | 46.4 Ų | 46.4 | 23% | 0.231 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -93.1 | 148 | 175.7 | -172.8 | 0 | 0 | 0 | 0 | 111.6 | H401 L402 A407 V408 | H401-S405 WeakPolarHBondContact O-CB 3.47Å; H401-S405 PolarHBondContact O-N 2.74Å; L402-S405 WeakPolarHBondContact O-CB 3.38Å; L402-S405 PolarHBondContact O-N 3.38Å; S405-A407 PolarHBondContact O-N 3.42Å; S405-A407 PolarHBondContact OG-N 3.43Å; S405-V408 PolarHBondContact O-N 2.86Å |
| 406 | P | 78.6 | Confident | 79.9 | Confident | 128 Ų | 128 | 49.1 Ų | 49.1 | 83% | 0.831 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -2.2 | 168.4 | -23.2 | 34.5 | 0 | 0 | 0 | 115.5 | V408 | P406-V408 VanDerWaalsContact C-N 3.25Å; P406-V408 PolarHBondContact O-N 3.33Å |
| 407 | A | 77.8 | Confident | 79.8 | Confident | 47 Ų | 47 | 48.2 Ų | 48.2 | 39% | 0.388 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -8.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114 | W220 L402 S405 | W220-A407 HydrophobicContact CH2-CB 4.48Å; W220-A407 HydrophobicContact CZ2-CB 4.4Å; L402-A407 HydrophobicContact CD1-CB 4.41Å; S405-A407 PolarHBondContact O-N 3.42Å; S405-A407 PolarHBondContact OG-N 3.43Å |
| 408 | V | 79.3 | Confident | 79.7 | Confident | 12 Ų | 12 | 41.3 Ų | 41.3 | 7% | 0.073 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -109.2 | 130.9 | -179 | 170.3 | 0 | 0 | 0 | 0 | 109.9 | L402 S405 P406 G410 G411 L436 T437 | L402-V408 WeakPolarHBondContact O-CG2 3.46Å; S405-V408 PolarHBondContact O-N 2.86Å; P406-V408 VanDerWaalsContact C-N 3.25Å; P406-V408 PolarHBondContact O-N 3.33Å; V408-G410 PolarHBondContact O-N 3.49Å; V408-G411 WeakPolarHBondContact O-CA 3.46Å; V408-G411 PolarHBondContact O-N 2.88Å; V408-L436 HydrophobicContact CG1-CD1 3.85Å; V408-L436 HydrophobicContact CG1-CG 4.13Å; V408-L436 HydrophobicContact CG2-CD1 4.41Å; V408-L436 HydrophobicContact CG2-CD2 4.18Å; V408-L436 HydrophobicContact CG2-CG 3.85Å; V408-T437 HydrophobicContact CG2-CG2 4.11Å |
| 409 | P | 69.6 | Low | 79.8 | Confident | 72 Ų | 72 | 44.9 Ų | 44.9 | 47% | 0.468 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 127.4 | 171.5 | -21.2 | 33.2 | 0 | 0 | 0 | 110.8 | G411 | P409-G411 PolarHBondContact O-N 2.89Š|
| 410 | G | 64.6 | Low | 79.8 | Confident | 17 Ų | 17 | 47.6 Ų | 47.6 | 18% | 0.175 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | 18.6 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | V408 G412 C457 | V408-G410 PolarHBondContact O-N 3.49Å; G410-G412 VanDerWaalsContact C-N 3.3Å; G410-G412 PolarHBondContact O-N 3.37Å; G410-C457 WeakPolarHBondContact CA-O 3.39Å |
| 411 | G | 57.4 | Low | 79.8 | Confident | 30 Ų | 30 | 45.5 Ų | 45.5 | 31% | 0.309 | 28% | 0.277 | S | S | . | . | trans | -63.6 | 77.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | V408 P409 | V408-G411 WeakPolarHBondContact O-CA 3.46Å; V408-G411 PolarHBondContact O-N 2.88Å; P409-G411 PolarHBondContact O-N 2.89Å | ||
| 412 | G | 60.4 | Low | 79.9 | Confident | 19 Ų | 19 | 41.3 Ų | 41.3 | 20% | 0.196 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -134 | 104.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | G410 N414 | G410-G412 VanDerWaalsContact C-N 3.3Å; G410-G412 PolarHBondContact O-N 3.37Å; G412-N414 WeakPolarHBondContact O-CB 2.9Å; G412-N414 PolarHBondContact O-N 3Å; G412-N414 PolarHBondContact O-ND2 2.96Å |
| 413 | I | 64.5 | Low | 80 | Confident | 101 Ų | 101 | 49.8 Ų | 49.8 | 52% | 0.518 | 29% | 0.29 | S | S | . | . | S | Bend | trans | 56.3 | 9 | 164.8 | -39.9 | -175.3 | 0 | 0 | 0 | 115.5 | T415 V510 | I413-T415 VanDerWaalsContact C-N 3.31Å; I413-T415 PolarHBondContact O-N 3.18Å; I413-V510 HydrophobicContact CD1-CG2 3.82Å |
| 414 | N | 74.7 | Confident | 80.1 | Confident | 9 Ų | 9 | 52.3 Ų | 52.3 | 5% | 0.048 | 30% | 0.303 | C | S | . | . | trans | -82.4 | 62.7 | -162.5 | -103.7 | -60.2 | 0 | 0 | 0 | 115.6 | G412 E416 L417 A418 Y454 N455 C457 | G412-N414 WeakPolarHBondContact O-CB 2.9Å; G412-N414 PolarHBondContact O-N 3Å; G412-N414 PolarHBondContact O-ND2 2.96Å; N414-E416 PolarHBondContact O-N 3.32Å; N414-L417 HydrophobicContact CB-CB 4.04Å; N414-L417 HydrophobicContact CB-CD2 4.48Å; N414-L417 PolarHBondContact O-N 2.94Å; N414-A418 PolarHBondContact O-N 3.29Å; N414-Y454 WeakPolarHBondContact OD1-CB 3.44Å; N414-N455 PolarHBondContact ND2-O 2.73Å; N414-N455 PolarHBondContact OD1-O 3.02Å; N414-C457 WeakPolarHBondContact ND2-CA 3.48Å; N414-C457 WeakPolarHBondContact ND2-CB 3.39Å; N414-C457 PolarHBondContact ND2-N 2.88Å | ||
| 415 | T | 85.7 | Confident | 80.5 | Confident | 68 Ų | 68 | 49.8 Ų | 49.8 | 42% | 0.417 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63 | -31.2 | 173.3 | 54 | 0 | 0 | 0 | 0 | 112.5 | L400 I413 A418 L419 | L400-T415 HydrophobicContact CD2-CG2 4.32Å; I413-T415 VanDerWaalsContact C-N 3.31Å; I413-T415 PolarHBondContact O-N 3.18Å; T415-A418 PolarHBondContact O-N 2.77Å; T415-L419 WeakPolarHBondContact O-CB 3.45Å; T415-L419 WeakPolarHBondContact O-CD1 3.4Å; T415-L419 WeakPolarHBondContact O-CG 3.5Å; T415-L419 PolarHBondContact O-N 2.78Å |
| 416 | E | 87.7 | Confident | 80.8 | Confident | 85 Ų | 85 | 59.7 Ų | 59.7 | 40% | 0.397 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67.2 | -47.2 | 178.5 | -64.6 | 178.9 | 155.4 | 0 | 0 | 111.2 | N414 A418 L419 H420 Y454 | N414-E416 PolarHBondContact O-N 3.32Å; E416-A418 VanDerWaalsContact C-N 3.34Å; E416-A418 PolarHBondContact O-N 3.49Å; E416-L419 PolarHBondContact O-N 3.27Å; E416-H420 VanDerWaalsContact O-CG 3.29Å; E416-H420 PolarHBondContact O-N 3.08Å; E416-Y454 HydrophobicContact CB-CD1 4.32Å; E416-Y454 HydrophobicContact CB-CE1 4.47Å |
| 417 | L | 87.3 | Confident | 81.2 | Confident | 7 Ų | 7 | 54.8 Ų | 54.8 | 4% | 0.037 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.3 | -45.1 | 173.4 | 177.1 | 62.2 | 0 | 0 | 0 | 112 | N414 L419 H420 L421 L436 L442 F443 Y454 | N414-L417 HydrophobicContact CB-CB 4.04Å; N414-L417 HydrophobicContact CB-CD2 4.48Å; N414-L417 PolarHBondContact O-N 2.94Å; L417-L419 PolarHBondContact O-N 3.48Å; L417-H420 PolarHBondContact O-N 3.4Å; L417-L421 HydrophobicContact CD1-CD1 4.11Å; L417-L421 HydrophobicContact CD1-CG 4.28Å; L417-L421 HydrophobicContact CG-CD1 4.09Å; L417-L421 WeakPolarHBondContact O-CB 3.5Å; L417-L421 WeakPolarHBondContact O-CG 3.1Å; L417-L421 PolarHBondContact O-N 3.26Å; L417-L436 HydrophobicContact CD2-CD1 4.39Å; L417-L442 HydrophobicContact CD1-CD1 3.85Å; L417-L442 HydrophobicContact CD2-CD1 3.75Å; L417-L442 HydrophobicContact CG-CD1 4.28Å; L417-F443 HydrophobicContact CD1-CE2 3.85Å; L417-F443 HydrophobicContact CD1-CZ 4.25Å; L417-Y454 HydrophobicContact CB-CD1 3.67Å; L417-Y454 HydrophobicContact CB-CE1 3.76Å; L417-Y454 HydrophobicContact CB-CG 4.08Å; L417-Y454 HydrophobicContact CD1-CD1 4.41Å; L417-Y454 HydrophobicContact CD1-CD2 3.97Å; L417-Y454 HydrophobicContact CD1-CE1 4.05Å; L417-Y454 HydrophobicContact CD1-CE2 3.59Å; L417-Y454 HydrophobicContact CD1-CG 4.38Å |
| 418 | A | 89.4 | Confident | 81.7 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.6 | -45.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F399 L400 A403 N414 T415 E416 L421 L422 | F399-A418 HydrophobicContact CD1-CB 4.5Å; F399-A418 HydrophobicContact CE1-CB 3.74Å; F399-A418 VanDerWaalsContact CE1-O 3.26Å; F399-A418 WeakPolarHBondContact CE1-O 3.36Å; F399-A418 HydrophobicContact CZ-CB 4Å; L400-A418 HydrophobicContact CD2-CB 3.76Å; A403-A418 HydrophobicContact CB-CB 3.59Å; N414-A418 PolarHBondContact O-N 3.29Å; T415-A418 PolarHBondContact O-N 2.77Å; E416-A418 VanDerWaalsContact C-N 3.34Å; E416-A418 PolarHBondContact O-N 3.49Å; A418-L421 PolarHBondContact O-N 3.38Å; A418-L422 WeakPolarHBondContact O-CB 3.18Å; A418-L422 PolarHBondContact O-N 3.31Å |
| 419 | L | 90.1 | Very high | 82.2 | Confident | 85 Ų | 85 | 55.7 Ų | 55.7 | 45% | 0.445 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.9 | -38.5 | 177.7 | -71.1 | 167.9 | 0 | 0 | 0 | 112.4 | L400 T415 E416 L417 L422 Y423 | L400-L419 HydrophobicContact CD2-CD2 4.49Å; L400-L419 HydrophobicContact CD2-CG 4.31Å; T415-L419 WeakPolarHBondContact O-CB 3.45Å; T415-L419 WeakPolarHBondContact O-CD1 3.4Å; T415-L419 WeakPolarHBondContact O-CG 3.5Å; T415-L419 PolarHBondContact O-N 2.78Å; E416-L419 PolarHBondContact O-N 3.27Å; L417-L419 PolarHBondContact O-N 3.48Å; L419-L422 PolarHBondContact O-N 3.12Å; L419-Y423 WeakPolarHBondContact O-CB 3.41Å; L419-Y423 PolarHBondContact O-N 3.47Å |
| 420 | H | 89.6 | Confident | 83.2 | Confident | 59 Ų | 59 | 55 Ų | 55 | 27% | 0.273 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.9 | -42.2 | 174.6 | -66.2 | 167 | 0 | 0 | 0 | 112.3 | E416 L417 L422 Y423 D424 F443 L449 Y454 | E416-H420 VanDerWaalsContact O-CG 3.29Å; E416-H420 PolarHBondContact O-N 3.08Å; L417-H420 PolarHBondContact O-N 3.4Å; H420-L422 VanDerWaalsContact C-N 3.33Å; H420-L422 PolarHBondContact O-N 3.24Å; H420-Y423 PolarHBondContact O-N 3.01Å; H420-D424 WeakPolarHBondContact O-CB 3.3Å; H420-D424 PolarHBondContact O-N 2.99Å; H420-F443 HydrophobicContact CB-CZ 4.16Å; H420-L449 HydrophobicContact CB-CD1 3.97Å; H420-L449 WeakPolarHBondContact ND1-CD1 3.38Å; H420-Y454 AromaticContact ND1-CE1 3.35Å; H420-Y454 VanDerWaalsContact ND1-CE1 3.35Å; H420-Y454 WeakPolarHBondContact ND1-CE1 3.22Å; H420-Y454 AromaticContact ND1-CZ 3.55Å; H420-Y454 PolarHBondContact ND1-OH 3.47Å |
| 421 | L | 89.4 | Confident | 84.4 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.3 | -36.6 | 173.5 | -76.4 | 171.1 | 0 | 0 | 0 | 112.4 | L417 A418 C425 R435 L436 L442 F443 | L417-L421 HydrophobicContact CD1-CD1 4.11Å; L417-L421 HydrophobicContact CD1-CG 4.28Å; L417-L421 HydrophobicContact CG-CD1 4.09Å; L417-L421 WeakPolarHBondContact O-CB 3.5Å; L417-L421 WeakPolarHBondContact O-CG 3.1Å; L417-L421 PolarHBondContact O-N 3.26Å; A418-L421 PolarHBondContact O-N 3.38Å; L421-C425 VanDerWaalsContact O-CB 3.26Å; L421-C425 WeakPolarHBondContact O-CB 3.22Å; L421-C425 PolarHBondContact O-N 3.37Å; L421-C425 PolarHBondContact O-SG 3.28Å; L421-R435 HydrophobicContact CD2-CB 4.43Å; L421-L436 HydrophobicContact CD1-CB 4.03Å; L421-L436 HydrophobicContact CD1-CD1 3.9Å; L421-L442 HydrophobicContact CD1-CD2 4.38Å; L421-L442 HydrophobicContact CD2-CB 4.43Å; L421-F443 HydrophobicContact CD2-CE1 4.02Å; L421-F443 HydrophobicContact CD2-CZ 3.97Å; L421-F443 HydrophobicContact CG-CZ 4.15Å |
| 422 | L | 90.5 | Very high | 86 | Confident | 17 Ų | 17 | 58.2 Ų | 58.2 | 9% | 0.089 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.8 | -39.2 | 175.5 | -176.2 | 61.3 | 0 | 0 | 0 | 112 | V396 F399 A418 L419 H420 C425 R426 G427 V429 A432 | V396-L422 HydrophobicContact CG1-CD2 4.13Å; V396-L422 HydrophobicContact CG2-CD2 4.42Å; F399-L422 HydrophobicContact CE1-CB 4Å; A418-L422 WeakPolarHBondContact O-CB 3.18Å; A418-L422 PolarHBondContact O-N 3.31Å; L419-L422 PolarHBondContact O-N 3.12Å; H420-L422 VanDerWaalsContact C-N 3.33Å; H420-L422 PolarHBondContact O-N 3.24Å; L422-C425 CarbonylContact O-C 3.56Å; L422-C425 PolarHBondContact O-N 3.5Å; L422-R426 PolarHBondContact O-N 2.57Å; L422-G427 PolarHBondContact O-N 3.05Å; L422-V429 HydrophobicContact CD1-CB 4.48Å; L422-V429 HydrophobicContact CD1-CG2 3.71Å; L422-A432 HydrophobicContact CD1-CB 4.36Å |
| 423 | Y | 90.8 | Very high | 87.4 | Confident | 195 Ų | 195 | 57.7 Ų | 57.7 | 77% | 0.765 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -64.2 | -48.6 | 174 | 174.8 | -99.9 | 0 | 0 | 0 | 111.9 | L419 H420 C425 R426 | L419-Y423 WeakPolarHBondContact O-CB 3.41Å; L419-Y423 PolarHBondContact O-N 3.47Å; H420-Y423 PolarHBondContact O-N 3.01Å; Y423-C425 VanDerWaalsContact C-N 3.28Å; Y423-C425 PolarHBondContact O-N 2.98Å; Y423-R426 WeakPolarHBondContact O-CA 3.34Å; Y423-R426 PolarHBondContact O-N 3.15Å |
| 424 | D | 90 | Very high | 88.6 | Confident | 55 Ų | 55 | 57.9 Ų | 57.9 | 29% | 0.294 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65 | -32 | 177.8 | -174.3 | 31.9 | 0 | 0 | 0 | 112 | H420 R426 R435 | H420-D424 WeakPolarHBondContact O-CB 3.3Å; H420-D424 PolarHBondContact O-N 2.99Å; D424-R426 PolarHBondContact O-N 3.35Å; D424-R435 IonicContact OD2-CZ 3.59Å; D424-R435 IonicContact OD2-NH1 2.6Å; D424-R435 PolarHBondContact OD2-NH1 3.08Å; D424-R435 IonicContact OD2-NH2 2.71Å; D424-R435 PolarHBondContact OD2-NH2 3.41Å |
| 425 | C | 90.1 | Very high | 89.2 | Confident | 6 Ų | 6 | 60.7 Ų | 60.7 | 4% | 0.041 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 11.3 | 169 | -60.9 | 0 | 0 | 0 | 0 | 114.1 | L421 L422 Y423 G427 D428 K431 A432 | L421-C425 VanDerWaalsContact O-CB 3.26Å; L421-C425 WeakPolarHBondContact O-CB 3.22Å; L421-C425 PolarHBondContact O-N 3.37Å; L421-C425 PolarHBondContact O-SG 3.28Å; L422-C425 CarbonylContact O-C 3.56Å; L422-C425 PolarHBondContact O-N 3.5Å; Y423-C425 VanDerWaalsContact C-N 3.28Å; Y423-C425 PolarHBondContact O-N 2.98Å; C425-G427 PolarHBondContact O-N 3.05Å; C425-G427 VanDerWaalsContact O-N 3.16Å; C425-D428 HydrophobicContact CB-CB 4.4Å; C425-D428 WeakPolarHBondContact CB-O 3.01Å; C425-D428 VanDerWaalsContact O-CB 3.3Å; C425-D428 WeakPolarHBondContact O-CB 3.44Å; C425-D428 PolarHBondContact O-N 3.08Å; C425-K431 HydrophobicContact CB-CB 4.22Å; C425-K431 HydrophobicContact CB-CD 4.33Å; C425-K431 HydrophobicContact CB-CG 4.32Å; C425-A432 HydrophobicContact CB-CB 4.11Å |
| 426 | R | 89.1 | Confident | 89.3 | Confident | 242 Ų | 242 | 57.7 Ų | 57.7 | 91% | 0.913 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 30.7 | 178.9 | -56.5 | -173.6 | 179.3 | -168.9 | 0.2 | 114.7 | L422 Y423 D424 | L422-R426 PolarHBondContact O-N 2.57Å; Y423-R426 WeakPolarHBondContact O-CA 3.34Å; Y423-R426 PolarHBondContact O-N 3.15Å; D424-R426 PolarHBondContact O-N 3.35Å |
| 427 | G | 86.3 | Confident | 89.2 | Confident | 25 Ų | 25 | 56.1 Ų | 56.1 | 26% | 0.258 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.7 | -3.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | L422 C425 V429 | L422-G427 PolarHBondContact O-N 3.05Å; C425-G427 PolarHBondContact O-N 3.05Å; C425-G427 VanDerWaalsContact O-N 3.16Å; G427-V429 PolarHBondContact O-N 3.26Å; G427-V429 VanDerWaalsContact O-N 3.08Å |
| 428 | D | 88.8 | Confident | 88.9 | Confident | 73 Ų | 73 | 57.9 Ų | 57.9 | 39% | 0.39 | 28% | 0.279 | S | S | . | . | trans | -71.3 | 102 | 172.7 | -178.7 | -8.4 | 0 | 0 | 0 | 110.8 | C425 Q430 K431 A432 | C425-D428 HydrophobicContact CB-CB 4.4Å; C425-D428 WeakPolarHBondContact CB-O 3.01Å; C425-D428 VanDerWaalsContact O-CB 3.3Å; C425-D428 WeakPolarHBondContact O-CB 3.44Å; C425-D428 PolarHBondContact O-N 3.08Å; D428-Q430 VanDerWaalsContact C-N 3.3Å; D428-Q430 PolarHBondContact O-N 3.22Å; D428-Q430 WeakPolarHBondContact OD1-CA 3.37Å; D428-Q430 WeakPolarHBondContact OD1-CB 3.27Å; D428-Q430 PolarHBondContact OD1-N 2.96Å; D428-K431 HydrophobicContact CB-CB 4.02Å; D428-K431 VanDerWaalsContact CG-CB 3.47Å; D428-K431 PolarHBondContact OD1-N 3.28Å; D428-K431 VanDerWaalsContact OD2-CB 3.22Å; D428-K431 WeakPolarHBondContact OD2-CB 3.43Å; D428-A432 VanDerWaalsContact O-CB 3.31Å; D428-A432 WeakPolarHBondContact O-CB 3.42Å; D428-A432 PolarHBondContact O-N 3.04Å | ||
| 429 | V | 90.4 | Very high | 87.9 | Confident | 4 Ų | 4 | 63.9 Ų | 63.9 | 2% | 0.024 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68.4 | -26.3 | 179.3 | -176.4 | 0 | 0 | 0 | 0 | 112.4 | M214 P391 L395 F399 L422 G427 A433 | M214-V429 HydrophobicContact CE-CG1 4.11Å; P391-V429 HydrophobicContact CB-CG2 4.18Å; L395-V429 HydrophobicContact CD1-CG1 4.15Å; L395-V429 HydrophobicContact CD2-CB 4.1Å; L395-V429 HydrophobicContact CD2-CG2 3.95Å; L395-V429 HydrophobicContact CG-CB 4.1Å; L395-V429 HydrophobicContact CG-CG1 3.99Å; L395-V429 HydrophobicContact CG-CG2 4.01Å; F399-V429 HydrophobicContact CB-CG1 3.58Å; F399-V429 HydrophobicContact CD2-CG1 4.16Å; F399-V429 HydrophobicContact CG-CG1 3.88Å; L422-V429 HydrophobicContact CD1-CB 4.48Å; L422-V429 HydrophobicContact CD1-CG2 3.71Å; G427-V429 PolarHBondContact O-N 3.26Å; G427-V429 VanDerWaalsContact O-N 3.08Å; V429-A433 WeakPolarHBondContact O-CB 3.23Å; V429-A433 PolarHBondContact O-N 3.4Å |
| 430 | Q | 89.7 | Confident | 87 | Confident | 58 Ų | 58 | 62.6 Ų | 62.6 | 27% | 0.271 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -73.3 | -49.4 | 177.8 | -52.5 | -46.6 | -48.4 | 0 | 0 | 110.4 | M214 D428 A432 A433 N434 | M214-Q430 VanDerWaalsContact CB-OE1 3.27Å; D428-Q430 VanDerWaalsContact C-N 3.3Å; D428-Q430 PolarHBondContact O-N 3.22Å; D428-Q430 WeakPolarHBondContact OD1-CA 3.37Å; D428-Q430 WeakPolarHBondContact OD1-CB 3.27Å; D428-Q430 PolarHBondContact OD1-N 2.96Å; Q430-A432 VanDerWaalsContact C-N 3.29Å; Q430-A432 PolarHBondContact O-N 2.87Å; Q430-A433 PolarHBondContact O-N 2.88Å; Q430-N434 WeakPolarHBondContact O-CB 3.25Å; Q430-N434 VanDerWaalsContact O-CG 3.26Å; Q430-N434 PolarHBondContact O-N 2.76Å; Q430-N434 PolarHBondContact O-ND2 3.31Å |
| 431 | K | 90.5 | Very high | 86.3 | Confident | 115 Ų | 115 | 65.3 Ų | 65.3 | 50% | 0.5 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.5 | -38.9 | 175.8 | -170.9 | 178.3 | -176.3 | 178 | 0 | 111.6 | C425 D428 R435 | C425-K431 HydrophobicContact CB-CB 4.22Å; C425-K431 HydrophobicContact CB-CD 4.33Å; C425-K431 HydrophobicContact CB-CG 4.32Å; D428-K431 HydrophobicContact CB-CB 4.02Å; D428-K431 VanDerWaalsContact CG-CB 3.47Å; D428-K431 PolarHBondContact OD1-N 3.28Å; D428-K431 VanDerWaalsContact OD2-CB 3.22Å; D428-K431 WeakPolarHBondContact OD2-CB 3.43Å; K431-R435 WeakPolarHBondContact O-CG 3.21Å; K431-R435 PolarHBondContact O-N 3.06Å |
| 432 | A | 91.2 | Very high | 85.8 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.2 | -45.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F399 L422 C425 D428 Q430 R435 L436 | F399-A432 HydrophobicContact CE1-CB 4.41Å; F399-A432 HydrophobicContact CE2-CB 3.76Å; F399-A432 HydrophobicContact CZ-CB 3.65Å; L422-A432 HydrophobicContact CD1-CB 4.36Å; C425-A432 HydrophobicContact CB-CB 4.11Å; D428-A432 VanDerWaalsContact O-CB 3.31Å; D428-A432 WeakPolarHBondContact O-CB 3.42Å; D428-A432 PolarHBondContact O-N 3.04Å; Q430-A432 VanDerWaalsContact C-N 3.29Å; Q430-A432 PolarHBondContact O-N 2.87Å; A432-R435 PolarHBondContact O-N 3.32Å; A432-L436 WeakPolarHBondContact O-CB 3.45Å; A432-L436 PolarHBondContact O-N 2.78Å |
| 433 | A | 89.6 | Confident | 85.4 | Confident | 7 Ų | 7 | 67.5 Ų | 67.5 | 6% | 0.058 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.9 | -40 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | M214 F399 L402 V429 Q430 L436 T437 | M214-A433 HydrophobicContact CE-CB 4.25Å; F399-A433 HydrophobicContact CD2-CB 4.15Å; F399-A433 HydrophobicContact CE2-CB 4.39Å; L402-A433 HydrophobicContact CD2-CB 3.88Å; V429-A433 WeakPolarHBondContact O-CB 3.23Å; V429-A433 PolarHBondContact O-N 3.4Å; Q430-A433 PolarHBondContact O-N 2.88Å; A433-L436 PolarHBondContact O-N 2.91Å; A433-T437 PolarHBondContact O-N 3.48Å; A433-T437 VanDerWaalsContact O-N 3.08Å; A433-T437 PolarHBondContact O-OG1 3.04Å |
| 434 | N | 88.8 | Confident | 85 | Confident | 105 Ų | 105 | 62.7 Ų | 62.7 | 56% | 0.561 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -66.3 | -43.6 | 176.8 | -71 | -19.7 | 0 | 0 | 0 | 111.7 | Q430 T437 A438 | Q430-N434 WeakPolarHBondContact O-CB 3.25Å; Q430-N434 VanDerWaalsContact O-CG 3.26Å; Q430-N434 PolarHBondContact O-N 2.76Å; Q430-N434 PolarHBondContact O-ND2 3.31Å; N434-T437 PolarHBondContact O-N 3.28Å; N434-T437 PolarHBondContact O-OG1 3.35Å; N434-A438 WeakPolarHBondContact O-CB 3.5Å; N434-A438 PolarHBondContact O-N 3.31Å |
| 435 | R | 88.7 | Confident | 84.7 | Confident | 68 Ų | 68 | 67.2 Ų | 67.2 | 26% | 0.257 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.7 | -43 | 174.6 | -76.3 | 175.1 | 66.3 | -174.5 | 3 | 112.4 | L421 D424 K431 A432 T437 A438 L442 | L421-R435 HydrophobicContact CD2-CB 4.43Å; D424-R435 IonicContact OD2-CZ 3.59Å; D424-R435 IonicContact OD2-NH1 2.6Å; D424-R435 PolarHBondContact OD2-NH1 3.08Å; D424-R435 IonicContact OD2-NH2 2.71Å; D424-R435 PolarHBondContact OD2-NH2 3.41Å; K431-R435 WeakPolarHBondContact O-CG 3.21Å; K431-R435 PolarHBondContact O-N 3.06Å; A432-R435 PolarHBondContact O-N 3.32Å; R435-T437 VanDerWaalsContact C-N 3.25Å; R435-T437 PolarHBondContact O-N 3Å; R435-A438 PolarHBondContact O-N 3.01Å; R435-L442 PolarHBondContact NH2-O 3.47Å; R435-L442 WeakPolarHBondContact O-CD2 3.5Å |
| 436 | L | 87.3 | Confident | 84.4 | Confident | 5 Ų | 5 | 75.4 Ų | 75.4 | 3% | 0.026 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62.7 | -27.9 | 178.5 | 179.1 | 67.2 | 0 | 0 | 0 | 113.5 | F399 A403 V408 L417 L421 A432 A433 | F399-L436 HydrophobicContact CD2-CD2 4.25Å; F399-L436 HydrophobicContact CE2-CB 4.49Å; F399-L436 HydrophobicContact CE2-CD2 3.58Å; F399-L436 HydrophobicContact CZ-CD2 4.15Å; A403-L436 HydrophobicContact CB-CD1 4.47Å; A403-L436 HydrophobicContact CB-CD2 3.74Å; V408-L436 HydrophobicContact CG1-CD1 3.85Å; V408-L436 HydrophobicContact CG1-CG 4.13Å; V408-L436 HydrophobicContact CG2-CD1 4.41Å; V408-L436 HydrophobicContact CG2-CD2 4.18Å; V408-L436 HydrophobicContact CG2-CG 3.85Å; L417-L436 HydrophobicContact CD2-CD1 4.39Å; L421-L436 HydrophobicContact CD1-CB 4.03Å; L421-L436 HydrophobicContact CD1-CD1 3.9Å; A432-L436 WeakPolarHBondContact O-CB 3.45Å; A432-L436 PolarHBondContact O-N 2.78Å; A433-L436 PolarHBondContact O-N 2.91Å |
| 437 | T | 85.1 | Confident | 84.2 | Confident | 53 Ų | 53 | 66.2 Ų | 66.2 | 33% | 0.325 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -100.5 | -6.5 | 179.4 | 51.3 | 0 | 0 | 0 | 0 | 113.9 | L402 V408 A433 N434 R435 | L402-T437 HydrophobicContact CD2-CG2 4.47Å; V408-T437 HydrophobicContact CG2-CG2 4.11Å; A433-T437 PolarHBondContact O-N 3.48Å; A433-T437 VanDerWaalsContact O-N 3.08Å; A433-T437 PolarHBondContact O-OG1 3.04Å; N434-T437 PolarHBondContact O-N 3.28Å; N434-T437 PolarHBondContact O-OG1 3.35Å; R435-T437 VanDerWaalsContact C-N 3.25Å; R435-T437 PolarHBondContact O-N 3Å |
| 438 | A | 82.5 | Confident | 84.3 | Confident | 44 Ų | 44 | 70.9 Ų | 70.9 | 36% | 0.364 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -78.4 | 142.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | N434 R435 A440 | N434-A438 WeakPolarHBondContact O-CB 3.5Å; N434-A438 PolarHBondContact O-N 3.31Å; R435-A438 PolarHBondContact O-N 3.01Å; A438-A440 HydrophobicContact CB-CB 4.35Å; A438-A440 PolarHBondContact O-N 3.28Å |
| 439 | S | 68.5 | Low | 84.1 | Confident | 126 Ų | 126 | 69.6 Ų | 69.6 | 88% | 0.881 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -75.4 | 26.1 | 174.9 | -47.3 | 0 | 0 | 0 | 0 | 113.9 | ||
| 440 | A | 70.6 | Confident | 83.7 | Confident | 57 Ų | 57 | 72.9 Ų | 72.9 | 47% | 0.471 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -100.6 | 158.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | A438 L442 | A438-A440 HydrophobicContact CB-CB 4.35Å; A438-A440 PolarHBondContact O-N 3.28Å; A440-L442 PolarHBondContact O-N 2.8Å |
| 441 | P | 74.2 | Confident | 83.4 | Confident | 116 Ų | 116 | 77 Ų | 77 | 75% | 0.753 | 43% | 0.425 | S | S | * | . | trans | -56.3 | 125.2 | 166.6 | 24.9 | -33.9 | 0 | 0 | 0 | 109.7 | F443 | P441-F443 VanDerWaalsContact C-N 3.25Å; P441-F443 PolarHBondContact O-N 2.56Å | ||
| 442 | L | 78.4 | Confident | 83 | Confident | 48 Ų | 48 | 76 Ų | 76 | 25% | 0.251 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -71 | -22.9 | -170.8 | -66.5 | 177 | 0 | 0 | 0 | 113 | L417 L421 R435 A440 | L417-L442 HydrophobicContact CD1-CD1 3.85Å; L417-L442 HydrophobicContact CD2-CD1 3.75Å; L417-L442 HydrophobicContact CG-CD1 4.28Å; L421-L442 HydrophobicContact CD1-CD2 4.38Å; L421-L442 HydrophobicContact CD2-CB 4.43Å; R435-L442 PolarHBondContact NH2-O 3.47Å; R435-L442 WeakPolarHBondContact O-CD2 3.5Å; A440-L442 PolarHBondContact O-N 2.8Å |
| 443 | F | 83.1 | Confident | 82.4 | Confident | 15 Ų | 15 | 81.8 Ų | 81.8 | 7% | 0.066 | 45% | 0.454 | C | S | . | . | S | Bend | trans | -136.6 | 145.3 | 175.4 | -57.2 | -72.8 | 0 | 0 | 0 | 109.3 | L417 H420 L421 P441 H447 Y454 | L417-F443 HydrophobicContact CD1-CE2 3.85Å; L417-F443 HydrophobicContact CD1-CZ 4.25Å; H420-F443 HydrophobicContact CB-CZ 4.16Å; L421-F443 HydrophobicContact CD2-CE1 4.02Å; L421-F443 HydrophobicContact CD2-CZ 3.97Å; L421-F443 HydrophobicContact CG-CZ 4.15Å; P441-F443 VanDerWaalsContact C-N 3.25Å; P441-F443 PolarHBondContact O-N 2.56Å; F443-H447 HydrophobicContact CB-CB 3.96Å; F443-H447 AromaticContact CD1-CE1 3.26Å; F443-H447 WeakPolarHBondContact CD1-CE1 3.49Å; F443-H447 AromaticContact CD1-CG 3.85Å; F443-H447 AromaticContact CD1-ND1 3.15Å; F443-H447 WeakPolarHBondContact CD1-ND1 3.01Å; F443-H447 AromaticContact CE1-CE1 3.52Å; F443-H447 AromaticContact CE1-ND1 3.86Å; F443-H447 AromaticContact CG-ND1 3.47Å; F443-H447 WeakPolarHBondContact CG-ND1 3.4Å; F443-Y454 AromaticContact CE2-CE2 3.93Å; F443-Y454 HydrophobicContact CE2-CE2 3.93Å; F443-Y454 AromaticContact CE2-CZ 3.99Å; F443-Y454 VanDerWaalsContact CE2-OH 3.31Å; F443-Y454 WeakPolarHBondContact CE2-OH 3.27Å |
| 444 | D | 82.4 | Confident | 81.9 | Confident | 94 Ų | 94 | 82.4 Ų | 82.4 | 50% | 0.503 | 46% | 0.455 | S | S | . | . | trans | -75.8 | 159.9 | 173.5 | 176.2 | 48.7 | 0 | 0 | 0 | 111.7 | Q446 H447 H450 | D444-Q446 PolarHBondContact O-N 3.47Å; D444-Q446 VanDerWaalsContact O-N 3.11Å; D444-Q446 WeakPolarHBondContact OD2-CG 3.49Å; D444-Q446 PolarHBondContact OD2-N 3.38Å; D444-H447 VanDerWaalsContact O-CB 3.23Å; D444-H447 WeakPolarHBondContact O-CB 3.41Å; D444-H447 PolarHBondContact O-N 3.16Å; D444-H450 WeakPolarHBondContact O-CB 3.32Å | ||
| 445 | H | 82.7 | Confident | 81.2 | Confident | 150 Ų | 150 | 82.4 Ų | 82.4 | 69% | 0.694 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -25.4 | 179.8 | -60.4 | -42.3 | 0 | 0 | 0 | 114 | H447 H450 | H445-H447 VanDerWaalsContact C-N 3.33Å; H445-H450 AromaticContact CE1-NE2 3.55Å; H445-H450 AromaticContact ND1-CD2 3.55Å; H445-H450 AromaticContact ND1-CE1 3.44Å; H445-H450 PolarHBondContact ND1-CE1 3.24Å; H445-H450 AromaticContact ND1-NE2 2.9Å; H445-H450 PolarHBondContact ND1-NE2 3.22Å |
| 446 | Q | 85.4 | Confident | 80.3 | Confident | 179 Ų | 179 | 82.1 Ų | 82.1 | 84% | 0.836 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -11.3 | 176.7 | -56.4 | -174.9 | 27.5 | 0 | 0 | 113.6 | D444 | D444-Q446 PolarHBondContact O-N 3.47Å; D444-Q446 VanDerWaalsContact O-N 3.11Å; D444-Q446 WeakPolarHBondContact OD2-CG 3.49Å; D444-Q446 PolarHBondContact OD2-N 3.38Å |
| 447 | H | 85 | Confident | 79.4 | Confident | 48 Ų | 48 | 83.5 Ų | 83.5 | 22% | 0.222 | 47% | 0.468 | C | S | . | . | S | Bend | trans | -79.3 | 136.2 | -172.1 | -173.2 | -105.9 | 0 | 0 | 0 | 112.1 | F443 D444 H445 L449 H450 | F443-H447 HydrophobicContact CB-CB 3.96Å; F443-H447 AromaticContact CD1-CE1 3.26Å; F443-H447 WeakPolarHBondContact CD1-CE1 3.49Å; F443-H447 AromaticContact CD1-CG 3.85Å; F443-H447 AromaticContact CD1-ND1 3.15Å; F443-H447 WeakPolarHBondContact CD1-ND1 3.01Å; F443-H447 AromaticContact CE1-CE1 3.52Å; F443-H447 AromaticContact CE1-ND1 3.86Å; F443-H447 AromaticContact CG-ND1 3.47Å; F443-H447 WeakPolarHBondContact CG-ND1 3.4Å; D444-H447 VanDerWaalsContact O-CB 3.23Å; D444-H447 WeakPolarHBondContact O-CB 3.41Å; D444-H447 PolarHBondContact O-N 3.16Å; H445-H447 VanDerWaalsContact C-N 3.33Å; H447-L449 PolarHBondContact ND1-N 2.92Å; H447-L449 PolarHBondContact O-N 2.8Å; H447-H450 WeakPolarHBondContact O-CB 3.48Å; H447-H450 PolarHBondContact O-N 3.19Å |
| 448 | P | 86.9 | Confident | 78.8 | Confident | 124 Ų | 124 | 84.9 Ų | 84.9 | 81% | 0.805 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -12.7 | -177.7 | -27.6 | 36 | 0 | 0 | 0 | 116.6 | ||
| 449 | L | 85.4 | Confident | 78.4 | Confident | 46 Ų | 46 | 88.5 Ų | 88.5 | 24% | 0.241 | 48% | 0.481 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | 14.3 | 177.7 | -55.1 | 176.6 | 0 | 0 | 0 | 113.5 | H420 H447 Y452 | H420-L449 HydrophobicContact CB-CD1 3.97Å; H420-L449 WeakPolarHBondContact ND1-CD1 3.38Å; H447-L449 PolarHBondContact ND1-N 2.92Å; H447-L449 PolarHBondContact O-N 2.8Å; L449-Y452 HydrophobicContact CD2-CD2 4.33Å; L449-Y452 HydrophobicContact CD2-CG 4.37Å; L449-Y452 WeakPolarHBondContact O-CB 3.25Å; L449-Y452 PolarHBondContact O-N 2.85Å |
| 450 | H | 82.5 | Confident | 79 | Confident | 73 Ų | 73 | 84.8 Ų | 84.8 | 34% | 0.338 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -50.6 | 174.8 | 176.5 | -91.1 | 0 | 0 | 0 | 111.7 | D444 H445 H447 Y452 | D444-H450 WeakPolarHBondContact O-CB 3.32Å; H445-H450 AromaticContact CE1-NE2 3.55Å; H445-H450 AromaticContact ND1-CD2 3.55Å; H445-H450 AromaticContact ND1-CE1 3.44Å; H445-H450 PolarHBondContact ND1-CE1 3.24Å; H445-H450 AromaticContact ND1-NE2 2.9Å; H445-H450 PolarHBondContact ND1-NE2 3.22Å; H447-H450 WeakPolarHBondContact O-CB 3.48Å; H447-H450 PolarHBondContact O-N 3.19Å; H450-Y452 PolarHBondContact O-N 2.97Å |
| 451 | D | 81.9 | Confident | 79.5 | Confident | 144 Ų | 144 | 84.2 Ų | 84.2 | 77% | 0.77 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | 9.4 | -179.7 | -58.9 | -10.9 | 0 | 0 | 0 | 113.2 | T453 | D451-T453 PolarHBondContact O-N 3.42Š|
| 452 | Y | 83 | Confident | 79.8 | Confident | 94 Ų | 94 | 81.1 Ų | 81.1 | 37% | 0.369 | 42% | 0.421 | S | S | . | . | trans | -84 | 103.5 | -176 | -171.8 | -87 | 0 | 0 | 0 | 111.4 | L449 H450 Y454 | L449-Y452 HydrophobicContact CD2-CD2 4.33Å; L449-Y452 HydrophobicContact CD2-CG 4.37Å; L449-Y452 WeakPolarHBondContact O-CB 3.25Å; L449-Y452 PolarHBondContact O-N 2.85Å; H450-Y452 PolarHBondContact O-N 2.97Å; Y452-Y454 AromaticContact CD1-CD1 3.72Å; Y452-Y454 HydrophobicContact CD1-CD1 3.72Å; Y452-Y454 AromaticContact CD1-CD2 3.77Å; Y452-Y454 HydrophobicContact CD1-CD2 3.77Å; Y452-Y454 AromaticContact CD1-CE1 3.58Å; Y452-Y454 HydrophobicContact CD1-CE1 3.58Å; Y452-Y454 AromaticContact CD1-CE2 3.62Å; Y452-Y454 HydrophobicContact CD1-CE2 3.62Å; Y452-Y454 AromaticContact CD1-CG 3.8Å; Y452-Y454 HydrophobicContact CD1-CG 3.8Å; Y452-Y454 AromaticContact CD1-CZ 3.52Å; Y452-Y454 AromaticContact CE1-CD1 3.54Å; Y452-Y454 HydrophobicContact CE1-CD1 3.54Å; Y452-Y454 HydrophobicContact CE1-CD2 4.37Å; Y452-Y454 AromaticContact CE1-CE1 3.63Å; Y452-Y454 HydrophobicContact CE1-CE1 3.63Å; Y452-Y454 HydrophobicContact CE1-CE2 4.43Å; Y452-Y454 AromaticContact CE1-CG 3.93Å; Y452-Y454 HydrophobicContact CE1-CG 3.93Å; Y452-Y454 HydrophobicContact CG-CE2 4.49Å; Y452-Y454 WeakPolarHBondContact O-CD2 3.45Å; Y452-Y454 WeakPolarHBondContact O-CE2 3.43Å; Y452-Y454 PolarHBondContact O-N 3Å | ||
| 453 | T | 78.9 | Confident | 80.2 | Confident | 122 Ų | 122 | 83.4 Ų | 83.4 | 75% | 0.748 | 43% | 0.429 | S | S | * | . | trans | -73.6 | 105.6 | 172.5 | -50.7 | 0 | 0 | 0 | 0 | 111.1 | D451 | D451-T453 PolarHBondContact O-N 3.42Š| ||
| 454 | Y | 79 | Confident | 80.3 | Confident | 19 Ų | 19 | 83.2 Ų | 83.2 | 8% | 0.075 | 43% | 0.428 | C | S | . | . | trans | -70.2 | 137.6 | 173.7 | -66.8 | -88.4 | 0 | 0 | 0 | 112.3 | N414 E416 L417 H420 F443 Y452 C457 | N414-Y454 WeakPolarHBondContact OD1-CB 3.44Å; E416-Y454 HydrophobicContact CB-CD1 4.32Å; E416-Y454 HydrophobicContact CB-CE1 4.47Å; L417-Y454 HydrophobicContact CB-CD1 3.67Å; L417-Y454 HydrophobicContact CB-CE1 3.76Å; L417-Y454 HydrophobicContact CB-CG 4.08Å; L417-Y454 HydrophobicContact CD1-CD1 4.41Å; L417-Y454 HydrophobicContact CD1-CD2 3.97Å; L417-Y454 HydrophobicContact CD1-CE1 4.05Å; L417-Y454 HydrophobicContact CD1-CE2 3.59Å; L417-Y454 HydrophobicContact CD1-CG 4.38Å; H420-Y454 AromaticContact ND1-CE1 3.35Å; H420-Y454 VanDerWaalsContact ND1-CE1 3.35Å; H420-Y454 WeakPolarHBondContact ND1-CE1 3.22Å; H420-Y454 AromaticContact ND1-CZ 3.55Å; H420-Y454 PolarHBondContact ND1-OH 3.47Å; F443-Y454 AromaticContact CE2-CE2 3.93Å; F443-Y454 HydrophobicContact CE2-CE2 3.93Å; F443-Y454 AromaticContact CE2-CZ 3.99Å; F443-Y454 VanDerWaalsContact CE2-OH 3.31Å; F443-Y454 WeakPolarHBondContact CE2-OH 3.27Å; Y452-Y454 AromaticContact CD1-CD1 3.72Å; Y452-Y454 HydrophobicContact CD1-CD1 3.72Å; Y452-Y454 AromaticContact CD1-CD2 3.77Å; Y452-Y454 HydrophobicContact CD1-CD2 3.77Å; Y452-Y454 AromaticContact CD1-CE1 3.58Å; Y452-Y454 HydrophobicContact CD1-CE1 3.58Å; Y452-Y454 AromaticContact CD1-CE2 3.62Å; Y452-Y454 HydrophobicContact CD1-CE2 3.62Å; Y452-Y454 AromaticContact CD1-CG 3.8Å; Y452-Y454 HydrophobicContact CD1-CG 3.8Å; Y452-Y454 AromaticContact CD1-CZ 3.52Å; Y452-Y454 AromaticContact CE1-CD1 3.54Å; Y452-Y454 HydrophobicContact CE1-CD1 3.54Å; Y452-Y454 HydrophobicContact CE1-CD2 4.37Å; Y452-Y454 AromaticContact CE1-CE1 3.63Å; Y452-Y454 HydrophobicContact CE1-CE1 3.63Å; Y452-Y454 HydrophobicContact CE1-CE2 4.43Å; Y452-Y454 AromaticContact CE1-CG 3.93Å; Y452-Y454 HydrophobicContact CE1-CG 3.93Å; Y452-Y454 HydrophobicContact CG-CE2 4.49Å; Y452-Y454 WeakPolarHBondContact O-CD2 3.45Å; Y452-Y454 WeakPolarHBondContact O-CE2 3.43Å; Y452-Y454 PolarHBondContact O-N 3Å; Y454-C457 WeakPolarHBondContact O-CB 3.38Å; Y454-C457 PolarHBondContact O-N 3.26Å | ||
| 455 | N | 74.2 | Confident | 80.5 | Confident | 105 Ų | 105 | 81.2 Ų | 81.2 | 56% | 0.561 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 143.7 | 175.3 | -63 | -69.5 | 0 | 0 | 0 | 111 | N414 C457 | N414-N455 PolarHBondContact ND2-O 2.73Å; N414-N455 PolarHBondContact OD1-O 3.02Å; N455-C457 PolarHBondContact O-N 3.31Å |
| 456 | D | 68.4 | Low | 80.7 | Confident | 62 Ų | 62 | 78.2 Ų | 78.2 | 33% | 0.332 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 8.1 | 177.8 | -64.5 | -26.5 | 0 | 0 | 0 | 116.8 | S506 | D456-S506 WeakPolarHBondContact OD1-CB 3.42Å; D456-S506 PolarHBondContact OD1-OG 3.32Å |
| 457 | C | 68.8 | Low | 80.8 | Confident | 34 Ų | 34 | 71.1 Ų | 71.1 | 23% | 0.23 | 37% | 0.372 | C | S | . | . | trans | -79.3 | -22.7 | -179.2 | -146.7 | 0 | 0 | 0 | 0 | 112.9 | G410 N414 Y454 N455 Q459 | G410-C457 WeakPolarHBondContact CA-O 3.39Å; N414-C457 WeakPolarHBondContact ND2-CA 3.48Å; N414-C457 WeakPolarHBondContact ND2-CB 3.39Å; N414-C457 PolarHBondContact ND2-N 2.88Å; Y454-C457 WeakPolarHBondContact O-CB 3.38Å; Y454-C457 PolarHBondContact O-N 3.26Å; N455-C457 PolarHBondContact O-N 3.31Å; C457-Q459 PolarHBondContact O-N 2.99Å | ||
| 458 | Q | 72 | Confident | 81 | Confident | 83 Ų | 83 | 68.9 Ų | 68.9 | 39% | 0.388 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -66.3 | 124.7 | -179.2 | -176.4 | 69.3 | -74.5 | 0 | 0 | 111 | W460 K495 D499 | Q458-W460 VanDerWaalsContact O-CD1 3.23Å; Q458-K495 HydrophobicContact CG-CD 3.87Å; Q458-D499 WeakPolarHBondContact CG-OD1 3.21Å; Q458-D499 PolarHBondContact NE2-OD1 3.49Å |
| 459 | Q | 74.7 | Confident | 81 | Confident | 119 Ų | 119 | 64.8 Ų | 64.8 | 56% | 0.556 | 33% | 0.331 | S | S | * | . | trans | -74 | 131.8 | -178.6 | -63.8 | -177.3 | 16.4 | 0 | 0 | 111.3 | C457 K495 | C457-Q459 PolarHBondContact O-N 2.99Å; Q459-K495 WeakPolarHBondContact O-CE 3.45Å; Q459-K495 PolarHBondContact O-NZ 2.9Å | ||
| 460 | W | 80.9 | Confident | 81.1 | Confident | 48 Ų | 48 | 66.1 Ų | 66.1 | 18% | 0.182 | 34% | 0.338 | C | S | . | . | trans | -116.7 | 111.1 | 175.3 | -74.8 | 83.1 | 0 | 0 | 0 | 110 | Q458 E464 M465 F468 K495 D499 F503 | Q458-W460 VanDerWaalsContact O-CD1 3.23Å; W460-E464 HydrophobicContact CE3-CB 3.98Å; W460-E464 HydrophobicContact CZ3-CB 4.34Å; W460-M465 HydrophobicContact CB-CG 3.93Å; W460-M465 HydrophobicContact CB-SD 4.4Å; W460-M465 HydrophobicContact CE3-CG 4.46Å; W460-F468 HydrophobicContact CH2-CD2 4.12Å; W460-F468 HydrophobicContact CZ3-CB 4.17Å; W460-F468 HydrophobicContact CZ3-CD2 4.19Å; W460-F468 HydrophobicContact CZ3-CG 4.33Å; W460-K495 HydrophobicContact CD2-CD 4.26Å; W460-K495 VanDerWaalsContact CE2-CE 3.47Å; W460-K495 HydrophobicContact CE3-CD 4.49Å; W460-K495 HydrophobicContact CH2-CB 4.12Å; W460-K495 HydrophobicContact CH2-CD 3.83Å; W460-K495 HydrophobicContact CH2-CG 3.73Å; W460-K495 HydrophobicContact CZ2-CB 4.49Å; W460-K495 HydrophobicContact CZ2-CD 3.53Å; W460-K495 HydrophobicContact CZ2-CG 4Å; W460-K495 HydrophobicContact CZ3-CD 4.3Å; W460-K495 HydrophobicContact CZ3-CG 4.03Å; W460-D499 HydrophobicContact CZ2-CB 4.31Å; W460-F503 HydrophobicContact CB-CE2 4.45Å; W460-F503 AromaticContact CD1-CD2 3.81Å; W460-F503 HydrophobicContact CD2-CB 4.37Å; W460-F503 HydrophobicContact CD2-CD1 4.01Å; W460-F503 AromaticContact CD2-CD2 3.82Å; W460-F503 HydrophobicContact CD2-CD2 3.82Å; W460-F503 HydrophobicContact CD2-CE1 4.26Å; W460-F503 HydrophobicContact CD2-CE2 4.08Å; W460-F503 AromaticContact CD2-CG 3.81Å; W460-F503 HydrophobicContact CD2-CG 3.81Å; W460-F503 HydrophobicContact CD2-CZ 4.3Å; W460-F503 AromaticContact CE2-CD1 3.96Å; W460-F503 AromaticContact CE2-CD2 3.71Å; W460-F503 AromaticContact CE2-CG 3.45Å; W460-F503 VanDerWaalsContact CE2-CG 3.45Å; W460-F503 AromaticContact CE3-CD1 3.92Å; W460-F503 HydrophobicContact CE3-CD1 3.92Å; W460-F503 HydrophobicContact CE3-CD2 4.49Å; W460-F503 AromaticContact CE3-CE1 3.99Å; W460-F503 HydrophobicContact CE3-CE1 3.99Å; W460-F503 HydrophobicContact CE3-CG 4.2Å; W460-F503 HydrophobicContact CE3-CZ 4.32Å; W460-F503 AromaticContact CG-CD2 3.93Å; W460-F503 HydrophobicContact CG-CD2 3.93Å; W460-F503 HydrophobicContact CG-CE2 4Å; W460-F503 HydrophobicContact CG-CG 4.4Å; W460-F503 HydrophobicContact CH2-CB 3.96Å; W460-F503 AromaticContact CH2-CD1 3.78Å; W460-F503 HydrophobicContact CH2-CD1 3.78Å; W460-F503 AromaticContact CH2-CG 4Å; W460-F503 HydrophobicContact CH2-CG 4Å; W460-F503 HydrophobicContact CZ2-CB 3.28Å; W460-F503 AromaticContact CZ2-CD1 3.86Å; W460-F503 HydrophobicContact CZ2-CD1 3.86Å; W460-F503 HydrophobicContact CZ2-CD2 4.3Å; W460-F503 AromaticContact CZ2-CG 3.57Å; W460-F503 HydrophobicContact CZ2-CG 3.57Å; W460-F503 AromaticContact CZ3-CD1 3.8Å; W460-F503 HydrophobicContact CZ3-CD1 3.8Å; W460-F503 HydrophobicContact CZ3-CE1 4.15Å; W460-F503 HydrophobicContact CZ3-CG 4.29Å; W460-F503 AromaticContact NE1-CD2 3.68Å; W460-F503 AromaticContact NE1-CG 3.82Å | ||
| 461 | S | 81.8 | Confident | 81.5 | Confident | 45 Ų | 45 | 62.9 Ų | 62.9 | 32% | 0.315 | 32% | 0.324 | S | S | . | . | trans | -72.7 | 153.3 | 171.7 | 65.2 | 0 | 0 | 0 | 0 | 111.2 | K463 E464 M465 | S461-K463 PolarHBondContact O-N 2.79Å; S461-K463 VanDerWaalsContact O-N 3.13Å; S461-E464 WeakPolarHBondContact CB-OE2 3.33Å; S461-E464 PolarHBondContact N-OE2 3.49Å; S461-E464 PolarHBondContact O-N 3.42Å; S461-E464 VanDerWaalsContact OG-CD 3.3Å; S461-E464 VanDerWaalsContact OG-CG 3.27Å; S461-E464 WeakPolarHBondContact OG-CG 3.15Å; S461-E464 PolarHBondContact OG-N 3.26Å; S461-E464 PolarHBondContact OG-OE2 3.19Å; S461-M465 WeakPolarHBondContact O-CG 3.42Å; S461-M465 PolarHBondContact O-N 3.34Å | ||
| 462 | S | 81.2 | Confident | 81.9 | Confident | 51 Ų | 51 | 56 Ų | 56 | 36% | 0.357 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -53.7 | -36.4 | 177.4 | -49.4 | 0 | 0 | 0 | 0 | 112.7 | M50 M465 I466 | M50-S462 WeakPolarHBondContact SD-CB 3.49Å; M50-S462 PolarHBondContact SD-OG 3.44Å; M50-S462 VanDerWaalsContact SD-OG 3.37Å; S462-M465 PolarHBondContact O-N 2.9Å; S462-I466 WeakPolarHBondContact O-CD1 3.48Å; S462-I466 VanDerWaalsContact O-CG1 3.26Å; S462-I466 WeakPolarHBondContact O-CG1 3.3Å; S462-I466 PolarHBondContact O-N 2.92Å |
| 463 | K | 85.1 | Confident | 82 | Confident | 97 Ų | 97 | 53 Ų | 53 | 42% | 0.422 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67 | -44.2 | 177.3 | 177.8 | 174.8 | 162.9 | -162.2 | 0 | 112 | S461 I466 Q467 T489 M490 | S461-K463 PolarHBondContact O-N 2.79Å; S461-K463 VanDerWaalsContact O-N 3.13Å; K463-I466 PolarHBondContact O-N 3.33Å; K463-Q467 WeakPolarHBondContact O-CB 3.38Å; K463-Q467 VanDerWaalsContact O-CD 3.28Å; K463-Q467 WeakPolarHBondContact O-CG 3.46Å; K463-Q467 PolarHBondContact O-N 3.19Å; K463-Q467 PolarHBondContact O-OE1 2.92Å; K463-T489 VanDerWaalsContact CE-O 3.31Å; K463-T489 WeakPolarHBondContact CE-O 3.26Å; K463-T489 PolarHBondContact NZ-O 3.39Å; K463-M490 HydrophobicContact CB-CE 3.92Å; K463-M490 HydrophobicContact CD-CE 3.66Å; K463-M490 HydrophobicContact CD-SD 3.76Å; K463-M490 VanDerWaalsContact CE-SD 3.54Å; K463-M490 HydrophobicContact CG-CE 3.92Å; K463-M490 HydrophobicContact CG-SD 4.43Å; K463-M490 PolarHBondContact NZ-SD 3.04Å |
| 464 | E | 87.1 | Confident | 82.3 | Confident | 11 Ų | 11 | 54.1 Ų | 54.1 | 5% | 0.051 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64 | -39.5 | 173.4 | -69.6 | 163.7 | 121.6 | 0 | 0 | 111.7 | W460 S461 Q467 F468 V486 M490 T494 K495 | W460-E464 HydrophobicContact CE3-CB 3.98Å; W460-E464 HydrophobicContact CZ3-CB 4.34Å; S461-E464 WeakPolarHBondContact CB-OE2 3.33Å; S461-E464 PolarHBondContact N-OE2 3.49Å; S461-E464 PolarHBondContact O-N 3.42Å; S461-E464 VanDerWaalsContact OG-CD 3.3Å; S461-E464 VanDerWaalsContact OG-CG 3.27Å; S461-E464 WeakPolarHBondContact OG-CG 3.15Å; S461-E464 PolarHBondContact OG-N 3.26Å; S461-E464 PolarHBondContact OG-OE2 3.19Å; E464-Q467 PolarHBondContact O-N 2.72Å; E464-F468 VanDerWaalsContact O-CB 3.26Å; E464-F468 WeakPolarHBondContact O-CB 3.19Å; E464-F468 PolarHBondContact O-N 2.94Å; E464-V486 HydrophobicContact CB-CG1 4.1Å; E464-V486 HydrophobicContact CG-CG1 4Å; E464-M490 HydrophobicContact CG-CE 4.26Å; E464-M490 HydrophobicContact CG-CG 4.34Å; E464-T494 WeakPolarHBondContact OE1-CB 3.44Å; E464-T494 PolarHBondContact OE1-OG1 2.71Å; E464-K495 IonicContact OE1-NZ 3.15Å; E464-K495 PolarHBondContact OE1-NZ 2.9Å; E464-K495 IonicContact OE2-NZ 2.62Å |
| 465 | M | 86.2 | Confident | 82.1 | Confident | 52 Ų | 52 | 53.6 Ų | 53.6 | 26% | 0.256 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64 | -43.2 | 177.8 | -66.8 | 178.5 | 74.6 | 0 | 0 | 112.6 | W460 S461 S462 F468 E469 F503 F511 | W460-M465 HydrophobicContact CB-CG 3.93Å; W460-M465 HydrophobicContact CB-SD 4.4Å; W460-M465 HydrophobicContact CE3-CG 4.46Å; S461-M465 WeakPolarHBondContact O-CG 3.42Å; S461-M465 PolarHBondContact O-N 3.34Å; S462-M465 PolarHBondContact O-N 2.9Å; M465-F468 PolarHBondContact O-N 2.93Å; M465-E469 PolarHBondContact O-N 3.25Å; M465-F503 HydrophobicContact CE-CE2 4.34Å; M465-F503 HydrophobicContact CE-CZ 3.87Å; M465-F503 HydrophobicContact CG-CZ 3.87Å; M465-F511 HydrophobicContact CE-CE1 4.2Å; M465-F511 HydrophobicContact CE-CZ 4.4Å |
| 466 | I | 86.9 | Confident | 82.4 | Confident | 87 Ų | 87 | 52.5 Ų | 52.5 | 45% | 0.446 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.1 | -44.6 | 176.4 | -69.2 | 163.4 | 0 | 0 | 0 | 110.2 | S462 K463 F468 E469 D470 | S462-I466 WeakPolarHBondContact O-CD1 3.48Å; S462-I466 VanDerWaalsContact O-CG1 3.26Å; S462-I466 WeakPolarHBondContact O-CG1 3.3Å; S462-I466 PolarHBondContact O-N 2.92Å; K463-I466 PolarHBondContact O-N 3.33Å; I466-F468 VanDerWaalsContact C-N 3.3Å; I466-F468 PolarHBondContact O-N 2.82Å; I466-E469 PolarHBondContact O-N 3.17Å; I466-D470 PolarHBondContact O-N 3.26Å |
| 467 | Q | 86.4 | Confident | 83.2 | Confident | 30 Ų | 30 | 54.5 Ų | 54.5 | 14% | 0.14 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.6 | -35.9 | 178.2 | -72.6 | 165.3 | -4.1 | 0 | 0 | 112.4 | K463 E464 A471 V486 T489 | K463-Q467 WeakPolarHBondContact O-CB 3.38Å; K463-Q467 VanDerWaalsContact O-CD 3.28Å; K463-Q467 WeakPolarHBondContact O-CG 3.46Å; K463-Q467 PolarHBondContact O-N 3.19Å; K463-Q467 PolarHBondContact O-OE1 2.92Å; E464-Q467 PolarHBondContact O-N 2.72Å; Q467-A471 WeakPolarHBondContact O-CB 3.49Å; Q467-A471 PolarHBondContact O-N 3.24Å; Q467-V486 HydrophobicContact CB-CG2 4.27Å; Q467-T489 VanDerWaalsContact NE2-CB 3.29Å |
| 468 | F | 89.6 | Confident | 84.2 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.8 | -42.6 | 172.5 | 177 | -90.9 | 0 | 0 | 0 | 112.4 | W460 E464 M465 I466 A471 L472 V482 V486 C500 F503 W507 | W460-F468 HydrophobicContact CH2-CD2 4.12Å; W460-F468 HydrophobicContact CZ3-CB 4.17Å; W460-F468 HydrophobicContact CZ3-CD2 4.19Å; W460-F468 HydrophobicContact CZ3-CG 4.33Å; E464-F468 VanDerWaalsContact O-CB 3.26Å; E464-F468 WeakPolarHBondContact O-CB 3.19Å; E464-F468 PolarHBondContact O-N 2.94Å; M465-F468 PolarHBondContact O-N 2.93Å; I466-F468 VanDerWaalsContact C-N 3.3Å; I466-F468 PolarHBondContact O-N 2.82Å; F468-A471 PolarHBondContact O-N 3.5Å; F468-L472 HydrophobicContact CD1-CD1 3.83Å; F468-L472 HydrophobicContact CD1-CG 4.46Å; F468-L472 HydrophobicContact CE1-CD1 3.28Å; F468-L472 HydrophobicContact CE1-CG 4.21Å; F468-L472 HydrophobicContact CE2-CD1 4.35Å; F468-L472 HydrophobicContact CZ-CD1 3.59Å; F468-L472 HydrophobicContact CZ-CG 4.28Å; F468-L472 WeakPolarHBondContact O-CB 2.82Å; F468-L472 WeakPolarHBondContact O-CG 3.29Å; F468-L472 PolarHBondContact O-N 3.39Å; F468-V482 HydrophobicContact CD2-CG1 3.42Å; F468-V482 VanDerWaalsContact CD2-CG1 3.42Å; F468-V482 HydrophobicContact CE2-CG1 3.75Å; F468-V482 HydrophobicContact CG-CG1 4.31Å; F468-V486 HydrophobicContact CB-CG2 4.05Å; F468-C500 HydrophobicContact CE2-CB 4.04Å; F468-C500 WeakPolarHBondContact CE2-O 3.47Å; F468-F503 HydrophobicContact CB-CE1 4.45Å; F468-F503 AromaticContact CD1-CD1 3.64Å; F468-F503 HydrophobicContact CD1-CD1 3.64Å; F468-F503 AromaticContact CD1-CE1 3.44Å; F468-F503 HydrophobicContact CD1-CE1 3.44Å; F468-F503 VanDerWaalsContact CD1-CE1 3.44Å; F468-F503 HydrophobicContact CD2-CD1 4.02Å; F468-F503 HydrophobicContact CD2-CE1 4.49Å; F468-F503 AromaticContact CE1-CD1 3.46Å; F468-F503 HydrophobicContact CE1-CD1 3.46Å; F468-F503 VanDerWaalsContact CE1-CD1 3.46Å; F468-F503 AromaticContact CE1-CE1 3.6Å; F468-F503 HydrophobicContact CE1-CE1 3.6Å; F468-F503 AromaticContact CE2-CD1 3.89Å; F468-F503 HydrophobicContact CE2-CD1 3.89Å; F468-F503 AromaticContact CG-CD1 3.89Å; F468-F503 HydrophobicContact CG-CD1 3.89Å; F468-F503 AromaticContact CG-CE1 3.9Å; F468-F503 HydrophobicContact CG-CE1 3.9Å; F468-F503 AromaticContact CZ-CD1 3.6Å; F468-F503 HydrophobicContact CZ-CD1 3.6Å; F468-F503 HydrophobicContact CZ-CE1 4.22Å; F468-W507 HydrophobicContact CE1-CE3 4.09Å; F468-W507 HydrophobicContact CE1-CZ3 4.31Å |
| 469 | E | 87.8 | Confident | 85 | Confident | 39 Ų | 39 | 55 Ų | 55 | 18% | 0.182 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.8 | -44.7 | 174.9 | -168.4 | 169.1 | 164.6 | 0 | 0 | 111.3 | M465 I466 A471 L472 L473 W507 F518 | M465-E469 PolarHBondContact O-N 3.25Å; I466-E469 PolarHBondContact O-N 3.17Å; E469-A471 PolarHBondContact O-N 3.2Å; E469-L472 PolarHBondContact O-N 2.86Å; E469-L473 WeakPolarHBondContact O-CG 3.37Å; E469-L473 PolarHBondContact O-N 2.87Å; E469-W507 HydrophobicContact CG-CH2 4.25Å; E469-W507 HydrophobicContact CG-CZ2 4.32Å; E469-F518 HydrophobicContact CG-CB 4.37Å; E469-F518 HydrophobicContact CG-CD2 3.72Å; E469-F518 HydrophobicContact CG-CE2 4.5Å; E469-F518 HydrophobicContact CG-CG 4.43Å; E469-F518 WeakPolarHBondContact OE1-CA 3.29Å; E469-F518 WeakPolarHBondContact OE1-CB 3.13Å |
| 470 | D | 87.4 | Confident | 85.7 | Confident | 73 Ų | 73 | 55 Ų | 55 | 39% | 0.39 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.7 | -40.1 | 175.3 | -93.9 | -7.6 | 0 | 0 | 0 | 113 | I466 L473 K474 | I466-D470 PolarHBondContact O-N 3.26Å; D470-L473 PolarHBondContact O-N 3.33Å; D470-K474 WeakPolarHBondContact O-CD 3.19Å; D470-K474 VanDerWaalsContact O-CG 3.25Å; D470-K474 WeakPolarHBondContact O-CG 3.47Å; D470-K474 PolarHBondContact O-N 3.38Å; D470-K474 VanDerWaalsContact O-N 3.09Å |
| 471 | A | 89.6 | Confident | 85.9 | Confident | 5 Ų | 5 | 58.5 Ų | 58.5 | 4% | 0.041 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -69.1 | -43 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q467 F468 E469 L473 K474 G475 V482 A485 | Q467-A471 WeakPolarHBondContact O-CB 3.49Å; Q467-A471 PolarHBondContact O-N 3.24Å; F468-A471 PolarHBondContact O-N 3.5Å; E469-A471 PolarHBondContact O-N 3.2Å; A471-L473 PolarHBondContact O-N 3.32Å; A471-K474 PolarHBondContact O-N 3.05Å; A471-G475 PolarHBondContact O-N 3.2Å; A471-V482 HydrophobicContact CB-CB 4.27Å; A471-V482 HydrophobicContact CB-CG1 4.11Å; A471-V482 HydrophobicContact CB-CG2 4.15Å; A471-A485 HydrophobicContact CB-CB 3.76Å |
| 472 | L | 90.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.5 | -23.1 | 171.8 | -74.8 | -179.8 | 0 | 0 | 0 | 113.6 | F468 E469 D476 F479 V482 Y504 W507 F518 | F468-L472 HydrophobicContact CD1-CD1 3.83Å; F468-L472 HydrophobicContact CD1-CG 4.46Å; F468-L472 HydrophobicContact CE1-CD1 3.28Å; F468-L472 HydrophobicContact CE1-CG 4.21Å; F468-L472 HydrophobicContact CE2-CD1 4.35Å; F468-L472 HydrophobicContact CZ-CD1 3.59Å; F468-L472 HydrophobicContact CZ-CG 4.28Å; F468-L472 WeakPolarHBondContact O-CB 2.82Å; F468-L472 WeakPolarHBondContact O-CG 3.29Å; F468-L472 PolarHBondContact O-N 3.39Å; E469-L472 PolarHBondContact O-N 2.86Å; L472-D476 WeakPolarHBondContact CD2-O 3.34Å; L472-D476 WeakPolarHBondContact O-CA 3.39Å; L472-F479 HydrophobicContact CD2-CE1 4.24Å; L472-V482 HydrophobicContact CD2-CG2 3.94Å; L472-V482 HydrophobicContact CG-CG2 4.41Å; L472-Y504 HydrophobicContact CD1-CD2 4.06Å; L472-W507 HydrophobicContact CD1-CE3 4.48Å; L472-W507 HydrophobicContact CD1-CH2 4.44Å; L472-W507 HydrophobicContact CD1-CZ3 3.78Å; L472-F518 HydrophobicContact CB-CE2 3.74Å; L472-F518 HydrophobicContact CB-CZ 3.79Å; L472-F518 HydrophobicContact CD1-CZ 4.42Å |
| 473 | L | 85.9 | Confident | 86.5 | Confident | 32 Ų | 32 | 55 Ų | 55 | 17% | 0.168 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -78.9 | -23.6 | 169.7 | -73.1 | 174.3 | 0 | 0 | 0 | 112.6 | E469 D470 A471 F518 A521 K522 R525 | E469-L473 WeakPolarHBondContact O-CG 3.37Å; E469-L473 PolarHBondContact O-N 2.87Å; D470-L473 PolarHBondContact O-N 3.33Å; A471-L473 PolarHBondContact O-N 3.32Å; L473-F518 HydrophobicContact CD2-CD2 3.8Å; L473-F518 HydrophobicContact CD2-CE2 3.62Å; L473-F518 HydrophobicContact CG-CD2 3.98Å; L473-F518 HydrophobicContact CG-CE2 3.77Å; L473-A521 HydrophobicContact CD2-CB 4.44Å; L473-K522 HydrophobicContact CD2-CB 4.06Å; L473-R525 PolarHBondContact O-NH1 3.36Å; L473-R525 PolarHBondContact O-NH2 3.3Å |
| 474 | K | 84.4 | Confident | 86.5 | Confident | 144 Ų | 144 | 52.8 Ų | 52.8 | 63% | 0.626 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -90.8 | -61.9 | -179 | -71.6 | 162.8 | -173.1 | 167.6 | 0 | 112.4 | D470 A471 | D470-K474 WeakPolarHBondContact O-CD 3.19Å; D470-K474 VanDerWaalsContact O-CG 3.25Å; D470-K474 WeakPolarHBondContact O-CG 3.47Å; D470-K474 PolarHBondContact O-N 3.38Å; D470-K474 VanDerWaalsContact O-N 3.09Å; A471-K474 PolarHBondContact O-N 3.05Å |
| 475 | G | 75 | Confident | 86.3 | Confident | 8 Ų | 8 | 54 Ų | 54 | 8% | 0.082 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -104 | 26.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | A471 K477 D478 | A471-G475 PolarHBondContact O-N 3.2Å; G475-K477 PolarHBondContact O-N 3.12Å; G475-D478 WeakPolarHBondContact O-CB 3.19Å; G475-D478 PolarHBondContact O-N 3.44Å |
| 476 | D | 81.2 | Confident | 86.2 | Confident | 83 Ų | 83 | 51.5 Ų | 51.5 | 44% | 0.444 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | -74.5 | 166.5 | -122.8 | 54.7 | 0 | 0 | 0 | 118.4 | L472 K522 | L472-D476 WeakPolarHBondContact CD2-O 3.34Å; L472-D476 WeakPolarHBondContact O-CA 3.39Å; D476-K522 IonicContact OD1-NZ 2.71Å; D476-K522 PolarHBondContact OD1-NZ 2.95Å; D476-K522 IonicContact OD2-NZ 2.68Å; D476-K522 PolarHBondContact OD2-NZ 2.88Å |
| 477 | K | 85.7 | Confident | 85.5 | Confident | 103 Ų | 103 | 48.2 Ų | 48.2 | 45% | 0.448 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -146.3 | 10.6 | 178.2 | -78.5 | -162.3 | 168.5 | -156.4 | 0 | 113.1 | G475 F479 Y504 | G475-K477 PolarHBondContact O-N 3.12Å; K477-F479 HydrophobicContact CB-CE2 4.5Å; K477-F479 WeakPolarHBondContact O-CD2 3.44Å; K477-F479 WeakPolarHBondContact O-CE2 3.42Å; K477-F479 PolarHBondContact O-N 3.44Å; K477-Y504 VanDerWaalsContact CE-OH 3.27Å; K477-Y504 WeakPolarHBondContact CE-OH 3.16Å; K477-Y504 PolarHBondContact NZ-OH 3.21Å; K477-Y504 VanDerWaalsContact NZ-OH 3.12Å |
| 478 | D | 89.5 | Confident | 84.3 | Confident | 96 Ų | 96 | 52.4 Ų | 52.4 | 51% | 0.513 | 29% | 0.286 | S | S | . | . | trans | -80.9 | 80.3 | -177.4 | -61.3 | -53.5 | 0 | 0 | 0 | 108 | G475 N480 E481 V482 | G475-D478 WeakPolarHBondContact O-CB 3.19Å; G475-D478 PolarHBondContact O-N 3.44Å; D478-N480 PolarHBondContact O-N 3.37Å; D478-E481 HydrophobicContact CB-CG 4.42Å; D478-E481 WeakPolarHBondContact O-CA 3.2Å; D478-E481 WeakPolarHBondContact O-CB 3.34Å; D478-E481 PolarHBondContact O-N 3Å; D478-V482 PolarHBondContact O-N 3.37Å | ||
| 479 | F | 89.2 | Confident | 82.9 | Confident | 32 Ų | 32 | 55.8 Ų | 55.8 | 14% | 0.14 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60 | -15.5 | -169.3 | -70.3 | -75.3 | 0 | 0 | 0 | 114.2 | L472 K477 S483 V497 C500 I501 Y504 | L472-F479 HydrophobicContact CD2-CE1 4.24Å; K477-F479 HydrophobicContact CB-CE2 4.5Å; K477-F479 WeakPolarHBondContact O-CD2 3.44Å; K477-F479 WeakPolarHBondContact O-CE2 3.42Å; K477-F479 PolarHBondContact O-N 3.44Å; F479-S483 WeakPolarHBondContact O-CB 3.29Å; F479-S483 PolarHBondContact O-N 3.34Å; F479-V497 HydrophobicContact CB-CG1 3.86Å; F479-C500 HydrophobicContact CD1-CB 4.08Å; F479-I501 HydrophobicContact CB-CD1 4.33Å; F479-I501 HydrophobicContact CB-CG1 4.05Å; F479-I501 HydrophobicContact CD1-CG1 3.89Å; F479-I501 HydrophobicContact CD2-CD1 4.08Å; F479-I501 HydrophobicContact CD2-CG1 3.57Å; F479-I501 HydrophobicContact CE1-CG1 4.2Å; F479-I501 HydrophobicContact CE2-CG1 3.91Å; F479-I501 HydrophobicContact CG-CD1 4.24Å; F479-I501 HydrophobicContact CG-CG1 3.56Å; F479-I501 HydrophobicContact CZ-CG1 4.21Å; F479-Y504 HydrophobicContact CE1-CG 4.17Å; F479-Y504 HydrophobicContact CZ-CD1 4.1Å; F479-Y504 HydrophobicContact CZ-CD2 4.28Å; F479-Y504 AromaticContact CZ-CG 3.84Å; F479-Y504 HydrophobicContact CZ-CG 3.84Å |
| 480 | N | 89.3 | Confident | 81.4 | Confident | 120 Ų | 120 | 56.3 Ų | 56.3 | 64% | 0.642 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -64.6 | -47.8 | 167.9 | -61.5 | -14.6 | 0 | 0 | 0 | 111.2 | D478 V482 A484 | D478-N480 PolarHBondContact O-N 3.37Å; N480-V482 VanDerWaalsContact C-N 3.35Å; N480-A484 WeakPolarHBondContact O-CB 3.48Å; N480-A484 PolarHBondContact O-N 2.99Å |
| 481 | E | 85.4 | Confident | 79.7 | Confident | 120 Ų | 120 | 65.3 Ų | 65.3 | 56% | 0.561 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -67.4 | -35.8 | 174.4 | -60.7 | -169 | 173.9 | 0 | 0 | 111.7 | D478 A484 A485 | D478-E481 HydrophobicContact CB-CG 4.42Å; D478-E481 WeakPolarHBondContact O-CA 3.2Å; D478-E481 WeakPolarHBondContact O-CB 3.34Å; D478-E481 PolarHBondContact O-N 3Å; E481-A484 PolarHBondContact O-N 3.38Å; E481-A485 VanDerWaalsContact O-CB 3.26Å; E481-A485 WeakPolarHBondContact O-CB 3.44Å; E481-A485 PolarHBondContact O-N 3.39Å |
| 482 | V | 87.9 | Confident | 77.9 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.6 | -46.7 | 177.4 | -178.8 | 0 | 0 | 0 | 0 | 111.4 | F468 A471 L472 D478 N480 A484 A485 V486 C500 | F468-V482 HydrophobicContact CD2-CG1 3.42Å; F468-V482 VanDerWaalsContact CD2-CG1 3.42Å; F468-V482 HydrophobicContact CE2-CG1 3.75Å; F468-V482 HydrophobicContact CG-CG1 4.31Å; A471-V482 HydrophobicContact CB-CB 4.27Å; A471-V482 HydrophobicContact CB-CG1 4.11Å; A471-V482 HydrophobicContact CB-CG2 4.15Å; L472-V482 HydrophobicContact CD2-CG2 3.94Å; L472-V482 HydrophobicContact CG-CG2 4.41Å; D478-V482 PolarHBondContact O-N 3.37Å; N480-V482 VanDerWaalsContact C-N 3.35Å; V482-A484 VanDerWaalsContact C-N 3.34Å; V482-A485 PolarHBondContact O-N 3.32Å; V482-V486 WeakPolarHBondContact O-CG2 3.47Å; V482-V486 PolarHBondContact O-N 3.32Å; V482-C500 HydrophobicContact CG1-CB 4.38Å |
| 483 | S | 87.4 | Confident | 76.3 | Confident | 22 Ų | 22 | 72.6 Ų | 72.6 | 15% | 0.154 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 175.3 | 177.3 | 0 | 0 | 0 | 0 | 111 | F479 G487 K495 V497 | F479-S483 WeakPolarHBondContact O-CB 3.29Å; F479-S483 PolarHBondContact O-N 3.34Å; S483-G487 PolarHBondContact O-N 3.02Å; S483-K495 PolarHBondContact OG-O 2.68Å; S483-V497 PolarHBondContact OG-N 2.91Å |
| 484 | A | 84.8 | Confident | 75.5 | Confident | 51 Ų | 51 | 73.4 Ų | 73.4 | 42% | 0.421 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.3 | -47.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | N480 E481 V482 V486 G487 V488 | N480-A484 WeakPolarHBondContact O-CB 3.48Å; N480-A484 PolarHBondContact O-N 2.99Å; E481-A484 PolarHBondContact O-N 3.38Å; V482-A484 VanDerWaalsContact C-N 3.34Å; A484-V486 PolarHBondContact O-N 3.11Å; A484-G487 CarbonylContact O-C 3.48Å; A484-G487 PolarHBondContact O-N 2.82Å; A484-V488 VanDerWaalsContact O-CB 3.25Å; A484-V488 WeakPolarHBondContact O-CB 3.36Å; A484-V488 WeakPolarHBondContact O-CG2 3.18Å; A484-V488 PolarHBondContact O-N 3.08Å |
| 485 | A | 83.1 | Confident | 75.4 | Confident | 37 Ų | 37 | 66.9 Ų | 66.9 | 31% | 0.306 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.2 | -39.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113 | A471 E481 V482 T489 | A471-A485 HydrophobicContact CB-CB 3.76Å; E481-A485 VanDerWaalsContact O-CB 3.26Å; E481-A485 WeakPolarHBondContact O-CB 3.44Å; E481-A485 PolarHBondContact O-N 3.39Å; V482-A485 PolarHBondContact O-N 3.32Å; A485-T489 PolarHBondContact O-OG1 2.93Å |
| 486 | V | 82.6 | Confident | 75.9 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -68.2 | -47.4 | 173.4 | 175.8 | 0 | 0 | 0 | 0 | 110.3 | E464 Q467 F468 V482 A484 V488 T489 K495 | E464-V486 HydrophobicContact CB-CG1 4.1Å; E464-V486 HydrophobicContact CG-CG1 4Å; Q467-V486 HydrophobicContact CB-CG2 4.27Å; F468-V486 HydrophobicContact CB-CG2 4.05Å; V482-V486 WeakPolarHBondContact O-CG2 3.47Å; V482-V486 PolarHBondContact O-N 3.32Å; A484-V486 PolarHBondContact O-N 3.11Å; V486-V488 PolarHBondContact O-N 2.93Å; V486-T489 PolarHBondContact O-N 3.23Å; V486-K495 HydrophobicContact CG1-CB 4.08Å; V486-K495 HydrophobicContact CG1-CG 3.92Å |
| 487 | G | 73.5 | Confident | 76.3 | Confident | 18 Ų | 18 | 67.4 Ų | 67.4 | 19% | 0.186 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -75.3 | -12.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | S483 A484 | S483-G487 PolarHBondContact O-N 3.02Å; A484-G487 CarbonylContact O-C 3.48Å; A484-G487 PolarHBondContact O-N 2.82Å |
| 488 | V | 61.4 | Low | 76.5 | Confident | 117 Ų | 117 | 65.7 Ų | 65.7 | 71% | 0.709 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -88.2 | -31.2 | 174.1 | 163.5 | 0 | 0 | 0 | 0 | 111.8 | A484 V486 M490 | A484-V488 VanDerWaalsContact O-CB 3.25Å; A484-V488 WeakPolarHBondContact O-CB 3.36Å; A484-V488 WeakPolarHBondContact O-CG2 3.18Å; A484-V488 PolarHBondContact O-N 3.08Å; V486-V488 PolarHBondContact O-N 2.93Å; V488-M490 CarbonylContact C-O 3.11Å |
| 489 | T | 58.8 | Low | 76.3 | Confident | 71 Ų | 71 | 62.6 Ų | 62.6 | 44% | 0.436 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -95.1 | -8.4 | -169.5 | -35.9 | 0 | 0 | 0 | 0 | 113.2 | K463 Q467 A485 V486 | K463-T489 VanDerWaalsContact CE-O 3.31Å; K463-T489 WeakPolarHBondContact CE-O 3.26Å; K463-T489 PolarHBondContact NZ-O 3.39Å; Q467-T489 VanDerWaalsContact NE2-CB 3.29Å; A485-T489 PolarHBondContact O-OG1 2.93Å; V486-T489 PolarHBondContact O-N 3.23Å |
| 490 | M | 56.7 | Low | 76.3 | Confident | 51 Ų | 51 | 61.1 Ų | 61.1 | 25% | 0.251 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -106.5 | 143.3 | 151 | -62.7 | -63.7 | -150.1 | 0 | 0 | 107.2 | K463 E464 V488 V492 | K463-M490 HydrophobicContact CB-CE 3.92Å; K463-M490 HydrophobicContact CD-CE 3.66Å; K463-M490 HydrophobicContact CD-SD 3.76Å; K463-M490 VanDerWaalsContact CE-SD 3.54Å; K463-M490 HydrophobicContact CG-CE 3.92Å; K463-M490 HydrophobicContact CG-SD 4.43Å; K463-M490 PolarHBondContact NZ-SD 3.04Å; E464-M490 HydrophobicContact CG-CE 4.26Å; E464-M490 HydrophobicContact CG-CG 4.34Å; V488-M490 CarbonylContact C-O 3.11Å; M490-V492 PolarHBondContact O-N 3.21Å |
| 491 | R | 52.5 | Low | 76.4 | Confident | 261 Ų | 261 | 58.5 Ų | 58.5 | 99% | 0.985 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -74.8 | 25.7 | 178.9 | -68.6 | -175.3 | 176.8 | 173.4 | -1.8 | 113.8 | ||
| 492 | V | 52.4 | Low | 76.5 | Confident | 95 Ų | 95 | 55.1 Ų | 55.1 | 58% | 0.576 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -144.6 | 123.8 | -179.6 | -176.8 | 0 | 0 | 0 | 0 | 105.7 | M490 T494 | M490-V492 PolarHBondContact O-N 3.21Å; V492-T494 HydrophobicContact CB-CG2 3.89Å; V492-T494 HydrophobicContact CG1-CG2 3.62Å; V492-T494 PolarHBondContact O-N 3.28Å |
| 493 | G | 56.7 | Low | 76.5 | Confident | 64 Ų | 64 | 55.9 Ų | 55.9 | 66% | 0.66 | 34% | 0.343 | S | S | * | . | trans | -73.4 | 60.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | K495 | G493-K495 PolarHBondContact O-N 2.76Š| ||
| 494 | T | 68 | Low | 76.6 | Confident | 48 Ų | 48 | 55.5 Ų | 55.5 | 29% | 0.294 | 34% | 0.339 | S | S | . | . | trans | -64.9 | -18.9 | -168.1 | 49.4 | 0 | 0 | 0 | 0 | 115.4 | E464 V492 | E464-T494 WeakPolarHBondContact OE1-CB 3.44Å; E464-T494 PolarHBondContact OE1-OG1 2.71Å; V492-T494 HydrophobicContact CB-CG2 3.89Å; V492-T494 HydrophobicContact CG1-CG2 3.62Å; V492-T494 PolarHBondContact O-N 3.28Å | ||
| 495 | K | 81.8 | Confident | 76.9 | Confident | 7 Ų | 7 | 58.9 Ų | 58.9 | 3% | 0.03 | 34% | 0.341 | C | S | . | . | trans | -128.6 | 105.9 | -171.7 | -59.1 | -61.6 | -176.8 | -76 | 0 | 110.4 | Q458 Q459 W460 E464 S483 V486 G493 D499 | Q458-K495 HydrophobicContact CG-CD 3.87Å; Q459-K495 WeakPolarHBondContact O-CE 3.45Å; Q459-K495 PolarHBondContact O-NZ 2.9Å; W460-K495 HydrophobicContact CD2-CD 4.26Å; W460-K495 VanDerWaalsContact CE2-CE 3.47Å; W460-K495 HydrophobicContact CE3-CD 4.49Å; W460-K495 HydrophobicContact CH2-CB 4.12Å; W460-K495 HydrophobicContact CH2-CD 3.83Å; W460-K495 HydrophobicContact CH2-CG 3.73Å; W460-K495 HydrophobicContact CZ2-CB 4.49Å; W460-K495 HydrophobicContact CZ2-CD 3.53Å; W460-K495 HydrophobicContact CZ2-CG 4Å; W460-K495 HydrophobicContact CZ3-CD 4.3Å; W460-K495 HydrophobicContact CZ3-CG 4.03Å; E464-K495 IonicContact OE1-NZ 3.15Å; E464-K495 PolarHBondContact OE1-NZ 2.9Å; E464-K495 IonicContact OE2-NZ 2.62Å; S483-K495 PolarHBondContact OG-O 2.68Å; V486-K495 HydrophobicContact CG1-CB 4.08Å; V486-K495 HydrophobicContact CG1-CG 3.92Å; G493-K495 PolarHBondContact O-N 2.76Å; K495-D499 HydrophobicContact CB-CB 4.17Å; K495-D499 HydrophobicContact CD-CB 3.99Å | ||
| 496 | S | 86.8 | Confident | 76.9 | Confident | 52 Ų | 52 | 58.2 Ų | 58.2 | 36% | 0.364 | 33% | 0.334 | S | S | . | . | trans | -66.5 | 167.8 | 171.6 | 72.9 | 0 | 0 | 0 | 0 | 111.6 | A498 D499 C500 | S496-A498 PolarHBondContact O-N 3.41Å; S496-A498 PolarHBondContact OG-N 3.4Å; S496-D499 WeakPolarHBondContact CA-OD2 3.23Å; S496-D499 VanDerWaalsContact CB-OD2 3.25Å; S496-D499 WeakPolarHBondContact CB-OD2 3.15Å; S496-D499 PolarHBondContact N-OD2 3.01Å; S496-D499 WeakPolarHBondContact O-CB 3.5Å; S496-D499 PolarHBondContact O-N 3.02Å; S496-D499 VanDerWaalsContact O-N 3.09Å; S496-D499 PolarHBondContact OG-N 2.89Å; S496-D499 VanDerWaalsContact OG-N 3.15Å; S496-D499 PolarHBondContact OG-OD2 3.49Å; S496-C500 PolarHBondContact O-N 3.11Å; S496-C500 PolarHBondContact O-SG 3.48Å; S496-C500 VanDerWaalsContact O-SG 3.38Å | ||
| 497 | V | 89.3 | Confident | 77 | Confident | 51 Ų | 51 | 58.4 Ų | 58.4 | 31% | 0.309 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -54.5 | -34.8 | 170.2 | 179.6 | 0 | 0 | 0 | 0 | 111.3 | F479 S483 I501 | F479-V497 HydrophobicContact CB-CG1 3.86Å; S483-V497 PolarHBondContact OG-N 2.91Å; V497-I501 HydrophobicContact CG1-CD1 3.91Å; V497-I501 WeakPolarHBondContact O-CB 3.22Å; V497-I501 WeakPolarHBondContact O-CD1 3.35Å; V497-I501 VanDerWaalsContact O-CG1 3.22Å; V497-I501 WeakPolarHBondContact O-CG1 3.36Å; V497-I501 PolarHBondContact O-N 3.26Å |
| 498 | A | 88.4 | Confident | 77.7 | Confident | 67 Ų | 67 | 61.7 Ų | 61.7 | 55% | 0.554 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -68.6 | -43.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S496 C500 I501 A502 | S496-A498 PolarHBondContact O-N 3.41Å; S496-A498 PolarHBondContact OG-N 3.4Å; A498-C500 PolarHBondContact O-N 3.47Å; A498-I501 PolarHBondContact O-N 3.43Å; A498-A502 WeakPolarHBondContact O-CB 3.31Å; A498-A502 PolarHBondContact O-N 2.89Å |
| 499 | D | 87.2 | Confident | 78.9 | Confident | 31 Ų | 31 | 61.5 Ų | 61.5 | 17% | 0.166 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.5 | -45.1 | 174.8 | -61.7 | -79.6 | 0 | 0 | 0 | 111.2 | Q458 W460 K495 S496 I501 A502 F503 | Q458-D499 WeakPolarHBondContact CG-OD1 3.21Å; Q458-D499 PolarHBondContact NE2-OD1 3.49Å; W460-D499 HydrophobicContact CZ2-CB 4.31Å; K495-D499 HydrophobicContact CB-CB 4.17Å; K495-D499 HydrophobicContact CD-CB 3.99Å; S496-D499 WeakPolarHBondContact CA-OD2 3.23Å; S496-D499 VanDerWaalsContact CB-OD2 3.25Å; S496-D499 WeakPolarHBondContact CB-OD2 3.15Å; S496-D499 PolarHBondContact N-OD2 3.01Å; S496-D499 WeakPolarHBondContact O-CB 3.5Å; S496-D499 PolarHBondContact O-N 3.02Å; S496-D499 VanDerWaalsContact O-N 3.09Å; S496-D499 PolarHBondContact OG-N 2.89Å; S496-D499 VanDerWaalsContact OG-N 3.15Å; S496-D499 PolarHBondContact OG-OD2 3.49Å; D499-I501 VanDerWaalsContact C-N 3.32Å; D499-I501 PolarHBondContact O-N 3.41Å; D499-A502 PolarHBondContact O-N 3.34Å; D499-F503 VanDerWaalsContact O-CB 3.3Å; D499-F503 WeakPolarHBondContact O-CB 3.26Å; D499-F503 PolarHBondContact O-N 2.92Å |
| 500 | C | 89.2 | Confident | 79.8 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.4 | -38 | 177.9 | -66.5 | 0 | 0 | 0 | 0 | 112.3 | F468 F479 V482 S496 A498 Y504 | F468-C500 HydrophobicContact CE2-CB 4.04Å; F468-C500 WeakPolarHBondContact CE2-O 3.47Å; F479-C500 HydrophobicContact CD1-CB 4.08Å; V482-C500 HydrophobicContact CG1-CB 4.38Å; S496-C500 PolarHBondContact O-N 3.11Å; S496-C500 PolarHBondContact O-SG 3.48Å; S496-C500 VanDerWaalsContact O-SG 3.38Å; A498-C500 PolarHBondContact O-N 3.47Å; C500-Y504 WeakPolarHBondContact O-CB 3.26Å; C500-Y504 PolarHBondContact O-N 3.36Å |
| 501 | I | 90.9 | Very high | 80.9 | Confident | 65 Ų | 65 | 63.7 Ų | 63.7 | 33% | 0.333 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -70.3 | -45.2 | 175.4 | -71.2 | 167.5 | 0 | 0 | 0 | 111 | F479 V497 A498 D499 Y504 Y505 | F479-I501 HydrophobicContact CB-CD1 4.33Å; F479-I501 HydrophobicContact CB-CG1 4.05Å; F479-I501 HydrophobicContact CD1-CG1 3.89Å; F479-I501 HydrophobicContact CD2-CD1 4.08Å; F479-I501 HydrophobicContact CD2-CG1 3.57Å; F479-I501 HydrophobicContact CE1-CG1 4.2Å; F479-I501 HydrophobicContact CE2-CG1 3.91Å; F479-I501 HydrophobicContact CG-CD1 4.24Å; F479-I501 HydrophobicContact CG-CG1 3.56Å; F479-I501 HydrophobicContact CZ-CG1 4.21Å; V497-I501 HydrophobicContact CG1-CD1 3.91Å; V497-I501 WeakPolarHBondContact O-CB 3.22Å; V497-I501 WeakPolarHBondContact O-CD1 3.35Å; V497-I501 VanDerWaalsContact O-CG1 3.22Å; V497-I501 WeakPolarHBondContact O-CG1 3.36Å; V497-I501 PolarHBondContact O-N 3.26Å; A498-I501 PolarHBondContact O-N 3.43Å; D499-I501 VanDerWaalsContact C-N 3.32Å; D499-I501 PolarHBondContact O-N 3.41Å; I501-Y504 WeakPolarHBondContact O-CB 3.45Å; I501-Y504 PolarHBondContact O-N 3.45Å; I501-Y505 HydrophobicContact CG2-CD2 4.14Å; I501-Y505 HydrophobicContact CG2-CE2 3.93Å; I501-Y505 WeakPolarHBondContact O-CD2 3.38Å; I501-Y505 PolarHBondContact O-N 2.81Å |
| 502 | A | 87.3 | Confident | 82.5 | Confident | 49 Ų | 49 | 58.1 Ų | 58.1 | 41% | 0.405 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -58.3 | -52.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | A498 D499 Y504 Y505 S506 | A498-A502 WeakPolarHBondContact O-CB 3.31Å; A498-A502 PolarHBondContact O-N 2.89Å; D499-A502 PolarHBondContact O-N 3.34Å; A502-Y504 VanDerWaalsContact C-N 3.32Å; A502-Y504 PolarHBondContact O-N 3.45Å; A502-Y505 PolarHBondContact O-N 3.45Å; A502-S506 PolarHBondContact O-N 3.08Å; A502-S506 PolarHBondContact O-OG 2.96Å |
| 503 | F | 87.6 | Confident | 84 | Confident | 16 Ų | 16 | 64.6 Ų | 64.6 | 7% | 0.07 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.9 | -37.1 | 177.6 | -177.4 | -113.3 | 0 | 0 | 0 | 112.6 | W460 M465 F468 D499 Y505 S506 W507 | W460-F503 HydrophobicContact CB-CE2 4.45Å; W460-F503 AromaticContact CD1-CD2 3.81Å; W460-F503 HydrophobicContact CD2-CB 4.37Å; W460-F503 HydrophobicContact CD2-CD1 4.01Å; W460-F503 AromaticContact CD2-CD2 3.82Å; W460-F503 HydrophobicContact CD2-CD2 3.82Å; W460-F503 HydrophobicContact CD2-CE1 4.26Å; W460-F503 HydrophobicContact CD2-CE2 4.08Å; W460-F503 AromaticContact CD2-CG 3.81Å; W460-F503 HydrophobicContact CD2-CG 3.81Å; W460-F503 HydrophobicContact CD2-CZ 4.3Å; W460-F503 AromaticContact CE2-CD1 3.96Å; W460-F503 AromaticContact CE2-CD2 3.71Å; W460-F503 AromaticContact CE2-CG 3.45Å; W460-F503 VanDerWaalsContact CE2-CG 3.45Å; W460-F503 AromaticContact CE3-CD1 3.92Å; W460-F503 HydrophobicContact CE3-CD1 3.92Å; W460-F503 HydrophobicContact CE3-CD2 4.49Å; W460-F503 AromaticContact CE3-CE1 3.99Å; W460-F503 HydrophobicContact CE3-CE1 3.99Å; W460-F503 HydrophobicContact CE3-CG 4.2Å; W460-F503 HydrophobicContact CE3-CZ 4.32Å; W460-F503 AromaticContact CG-CD2 3.93Å; W460-F503 HydrophobicContact CG-CD2 3.93Å; W460-F503 HydrophobicContact CG-CE2 4Å; W460-F503 HydrophobicContact CG-CG 4.4Å; W460-F503 HydrophobicContact CH2-CB 3.96Å; W460-F503 AromaticContact CH2-CD1 3.78Å; W460-F503 HydrophobicContact CH2-CD1 3.78Å; W460-F503 AromaticContact CH2-CG 4Å; W460-F503 HydrophobicContact CH2-CG 4Å; W460-F503 HydrophobicContact CZ2-CB 3.28Å; W460-F503 AromaticContact CZ2-CD1 3.86Å; W460-F503 HydrophobicContact CZ2-CD1 3.86Å; W460-F503 HydrophobicContact CZ2-CD2 4.3Å; W460-F503 AromaticContact CZ2-CG 3.57Å; W460-F503 HydrophobicContact CZ2-CG 3.57Å; W460-F503 AromaticContact CZ3-CD1 3.8Å; W460-F503 HydrophobicContact CZ3-CD1 3.8Å; W460-F503 HydrophobicContact CZ3-CE1 4.15Å; W460-F503 HydrophobicContact CZ3-CG 4.29Å; W460-F503 AromaticContact NE1-CD2 3.68Å; W460-F503 AromaticContact NE1-CG 3.82Å; M465-F503 HydrophobicContact CE-CE2 4.34Å; M465-F503 HydrophobicContact CE-CZ 3.87Å; M465-F503 HydrophobicContact CG-CZ 3.87Å; F468-F503 HydrophobicContact CB-CE1 4.45Å; F468-F503 AromaticContact CD1-CD1 3.64Å; F468-F503 HydrophobicContact CD1-CD1 3.64Å; F468-F503 AromaticContact CD1-CE1 3.44Å; F468-F503 HydrophobicContact CD1-CE1 3.44Å; F468-F503 VanDerWaalsContact CD1-CE1 3.44Å; F468-F503 HydrophobicContact CD2-CD1 4.02Å; F468-F503 HydrophobicContact CD2-CE1 4.49Å; F468-F503 AromaticContact CE1-CD1 3.46Å; F468-F503 HydrophobicContact CE1-CD1 3.46Å; F468-F503 VanDerWaalsContact CE1-CD1 3.46Å; F468-F503 AromaticContact CE1-CE1 3.6Å; F468-F503 HydrophobicContact CE1-CE1 3.6Å; F468-F503 AromaticContact CE2-CD1 3.89Å; F468-F503 HydrophobicContact CE2-CD1 3.89Å; F468-F503 AromaticContact CG-CD1 3.89Å; F468-F503 HydrophobicContact CG-CD1 3.89Å; F468-F503 AromaticContact CG-CE1 3.9Å; F468-F503 HydrophobicContact CG-CE1 3.9Å; F468-F503 AromaticContact CZ-CD1 3.6Å; F468-F503 HydrophobicContact CZ-CD1 3.6Å; F468-F503 HydrophobicContact CZ-CE1 4.22Å; D499-F503 VanDerWaalsContact O-CB 3.3Å; D499-F503 WeakPolarHBondContact O-CB 3.26Å; D499-F503 PolarHBondContact O-N 2.92Å; F503-Y505 VanDerWaalsContact C-N 3.29Å; F503-Y505 PolarHBondContact O-N 3.48Å; F503-S506 PolarHBondContact O-N 3.19Å; F503-W507 HydrophobicContact CE2-CB 4.47Å; F503-W507 HydrophobicContact CZ-CB 4.36Å; F503-W507 HydrophobicContact CZ-CG 4.47Å; F503-W507 WeakPolarHBondContact O-CA 3.35Å; F503-W507 WeakPolarHBondContact O-CB 3.2Å; F503-W507 PolarHBondContact O-N 3.3Å |
| 504 | Y | 90.2 | Very high | 85.3 | Confident | 14 Ų | 14 | 63.5 Ų | 63.5 | 6% | 0.055 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -55.9 | -41.8 | 173 | 175.6 | -103.1 | 0 | 0 | 0 | 113 | L472 K477 F479 C500 I501 A502 K508 Y515 | L472-Y504 HydrophobicContact CD1-CD2 4.06Å; K477-Y504 VanDerWaalsContact CE-OH 3.27Å; K477-Y504 WeakPolarHBondContact CE-OH 3.16Å; K477-Y504 PolarHBondContact NZ-OH 3.21Å; K477-Y504 VanDerWaalsContact NZ-OH 3.12Å; F479-Y504 HydrophobicContact CE1-CG 4.17Å; F479-Y504 HydrophobicContact CZ-CD1 4.1Å; F479-Y504 HydrophobicContact CZ-CD2 4.28Å; F479-Y504 AromaticContact CZ-CG 3.84Å; F479-Y504 HydrophobicContact CZ-CG 3.84Å; C500-Y504 WeakPolarHBondContact O-CB 3.26Å; C500-Y504 PolarHBondContact O-N 3.36Å; I501-Y504 WeakPolarHBondContact O-CB 3.45Å; I501-Y504 PolarHBondContact O-N 3.45Å; A502-Y504 VanDerWaalsContact C-N 3.32Å; A502-Y504 PolarHBondContact O-N 3.45Å; Y504-K508 VanDerWaalsContact O-CB 3.27Å; Y504-K508 WeakPolarHBondContact O-CB 3.45Å; Y504-K508 PolarHBondContact O-N 3.3Å; Y504-Y515 HydrophobicContact CE2-CE2 4.45Å |
| 505 | Y | 89.7 | Confident | 86.2 | Confident | 123 Ų | 123 | 63.2 Ų | 63.2 | 48% | 0.482 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -75.7 | -43 | 179.3 | -74.4 | -72.5 | 0 | 0 | 0 | 112.2 | I501 A502 F503 K508 I509 | I501-Y505 HydrophobicContact CG2-CD2 4.14Å; I501-Y505 HydrophobicContact CG2-CE2 3.93Å; I501-Y505 WeakPolarHBondContact O-CD2 3.38Å; I501-Y505 PolarHBondContact O-N 2.81Å; A502-Y505 PolarHBondContact O-N 3.45Å; F503-Y505 VanDerWaalsContact C-N 3.29Å; F503-Y505 PolarHBondContact O-N 3.48Å; Y505-K508 PolarHBondContact O-N 2.93Å; Y505-I509 WeakPolarHBondContact O-CG1 3.35Å; Y505-I509 PolarHBondContact O-N 2.91Å; Y505-I509 VanDerWaalsContact O-N 3.16Å |
| 506 | S | 83.7 | Confident | 86.4 | Confident | 22 Ų | 22 | 68.1 Ų | 68.1 | 15% | 0.154 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.7 | -42 | 176.9 | -56.9 | 0 | 0 | 0 | 0 | 112 | D456 A502 F503 K508 I509 V510 | D456-S506 WeakPolarHBondContact OD1-CB 3.42Å; D456-S506 PolarHBondContact OD1-OG 3.32Å; A502-S506 PolarHBondContact O-N 3.08Å; A502-S506 PolarHBondContact O-OG 2.96Å; F503-S506 PolarHBondContact O-N 3.19Å; S506-K508 PolarHBondContact O-N 3.38Å; S506-I509 PolarHBondContact O-N 2.86Å; S506-I509 VanDerWaalsContact O-N 3.08Å; S506-V510 WeakPolarHBondContact O-CB 3.31Å; S506-V510 WeakPolarHBondContact O-CG2 3.26Å; S506-V510 PolarHBondContact O-N 3.03Å |
| 507 | W | 85.9 | Confident | 86.4 | Confident | 5 Ų | 5 | 68.2 Ų | 68.2 | 2% | 0.019 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57 | -45.1 | 173.6 | -179 | 62.4 | 0 | 0 | 0 | 112.5 | F468 E469 L472 F503 I509 F511 S514 Y515 F518 | F468-W507 HydrophobicContact CE1-CE3 4.09Å; F468-W507 HydrophobicContact CE1-CZ3 4.31Å; E469-W507 HydrophobicContact CG-CH2 4.25Å; E469-W507 HydrophobicContact CG-CZ2 4.32Å; L472-W507 HydrophobicContact CD1-CE3 4.48Å; L472-W507 HydrophobicContact CD1-CH2 4.44Å; L472-W507 HydrophobicContact CD1-CZ3 3.78Å; F503-W507 HydrophobicContact CE2-CB 4.47Å; F503-W507 HydrophobicContact CZ-CB 4.36Å; F503-W507 HydrophobicContact CZ-CG 4.47Å; F503-W507 WeakPolarHBondContact O-CA 3.35Å; F503-W507 WeakPolarHBondContact O-CB 3.2Å; F503-W507 PolarHBondContact O-N 3.3Å; W507-I509 VanDerWaalsContact C-N 3.28Å; W507-I509 PolarHBondContact O-N 3.45Å; W507-F511 AromaticContact CD1-CG 3.99Å; W507-F511 HydrophobicContact CG-CB 4.39Å; W507-F511 CarbonylContact O-C 3.57Å; W507-F511 WeakPolarHBondContact O-CA 3.43Å; W507-F511 WeakPolarHBondContact O-CB 3.32Å; W507-F511 PolarHBondContact O-N 2.96Å; W507-S514 WeakPolarHBondContact CZ2-OG 3.49Å; W507-S514 PolarHBondContact NE1-OG 2.89Å; W507-Y515 HydrophobicContact CD2-CD2 4.34Å; W507-Y515 AromaticContact CE3-CD2 3.75Å; W507-Y515 HydrophobicContact CE3-CD2 3.75Å; W507-Y515 HydrophobicContact CH2-CD2 4.43Å; W507-Y515 AromaticContact CZ3-CD2 3.81Å; W507-Y515 HydrophobicContact CZ3-CD2 3.81Å; W507-Y515 HydrophobicContact CZ3-CE2 4.5Å; W507-F518 HydrophobicContact CH2-CB 3.49Å; W507-F518 VanDerWaalsContact CH2-CB 3.49Å; W507-F518 AromaticContact CH2-CD1 3.62Å; W507-F518 HydrophobicContact CH2-CD1 3.62Å; W507-F518 AromaticContact CH2-CD2 3.86Å; W507-F518 HydrophobicContact CH2-CD2 3.86Å; W507-F518 HydrophobicContact CH2-CE1 4.29Å; W507-F518 HydrophobicContact CH2-CE2 4.47Å; W507-F518 AromaticContact CH2-CG 3.38Å; W507-F518 HydrophobicContact CH2-CG 3.38Å; W507-F518 HydrophobicContact CZ2-CB 3.87Å; W507-F518 HydrophobicContact CZ2-CG 4.25Å; W507-F518 AromaticContact CZ3-CD1 3.88Å; W507-F518 HydrophobicContact CZ3-CD1 3.88Å; W507-F518 HydrophobicContact CZ3-CE1 4.22Å; W507-F518 HydrophobicContact CZ3-CG 4.11Å |
| 508 | K | 88.2 | Confident | 86.3 | Confident | 87 Ų | 87 | 66.3 Ų | 66.3 | 38% | 0.378 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.6 | -26.9 | 175.9 | 173.8 | -178 | 169.4 | -163 | 0 | 113.7 | Y504 Y505 S506 Y515 | Y504-K508 VanDerWaalsContact O-CB 3.27Å; Y504-K508 WeakPolarHBondContact O-CB 3.45Å; Y504-K508 PolarHBondContact O-N 3.3Å; Y505-K508 PolarHBondContact O-N 2.93Å; S506-K508 PolarHBondContact O-N 3.38Å; K508-Y515 HydrophobicContact CB-CD2 4.04Å; K508-Y515 HydrophobicContact CB-CE2 4.07Å; K508-Y515 HydrophobicContact CB-CG 4.27Å; K508-Y515 HydrophobicContact CD-CE2 4.41Å; K508-Y515 HydrophobicContact CG-CD1 4.25Å; K508-Y515 HydrophobicContact CG-CD2 4.41Å; K508-Y515 HydrophobicContact CG-CE1 3.93Å; K508-Y515 HydrophobicContact CG-CE2 4.09Å; K508-Y515 HydrophobicContact CG-CG 4.48Å |
| 509 | I | 84.6 | Confident | 86.3 | Confident | 113 Ų | 113 | 68.4 Ų | 68.4 | 58% | 0.579 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -93.2 | -48.7 | -178.4 | -67.9 | 167.8 | 0 | 0 | 0 | 111.7 | Y505 S506 W507 K512 | Y505-I509 WeakPolarHBondContact O-CG1 3.35Å; Y505-I509 PolarHBondContact O-N 2.91Å; Y505-I509 VanDerWaalsContact O-N 3.16Å; S506-I509 PolarHBondContact O-N 2.86Å; S506-I509 VanDerWaalsContact O-N 3.08Å; W507-I509 VanDerWaalsContact C-N 3.28Å; W507-I509 PolarHBondContact O-N 3.45Å; I509-K512 WeakPolarHBondContact O-CE 3.38Å; I509-K512 VanDerWaalsContact O-CG 3.29Å; I509-K512 WeakPolarHBondContact O-CG 3.42Å |
| 510 | V | 78.1 | Confident | 86.3 | Confident | 72 Ų | 72 | 70.4 Ų | 70.4 | 44% | 0.436 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -56.3 | -174.3 | 179.4 | 0 | 0 | 0 | 0 | 110.4 | I413 S506 K512 | I413-V510 HydrophobicContact CD1-CG2 3.82Å; S506-V510 WeakPolarHBondContact O-CB 3.31Å; S506-V510 WeakPolarHBondContact O-CG2 3.26Å; S506-V510 PolarHBondContact O-N 3.03Å; V510-K512 PolarHBondContact O-N 3.29Å |
| 511 | F | 80.7 | Confident | 86.1 | Confident | 95 Ų | 95 | 72.1 Ų | 72.1 | 42% | 0.417 | 35% | 0.351 | S | S | . | . | trans | -87.8 | 43.9 | -169.7 | -62.5 | -96.2 | 0 | 0 | 0 | 113 | M465 W507 R513 S514 Y515 | M465-F511 HydrophobicContact CE-CE1 4.2Å; M465-F511 HydrophobicContact CE-CZ 4.4Å; W507-F511 AromaticContact CD1-CG 3.99Å; W507-F511 HydrophobicContact CG-CB 4.39Å; W507-F511 CarbonylContact O-C 3.57Å; W507-F511 WeakPolarHBondContact O-CA 3.43Å; W507-F511 WeakPolarHBondContact O-CB 3.32Å; W507-F511 PolarHBondContact O-N 2.96Å; F511-R513 PolarHBondContact O-N 3.16Å; F511-S514 PolarHBondContact O-N 2.88Å; F511-Y515 PolarHBondContact O-N 3.28Å | ||
| 512 | K | 84.9 | Confident | 85.9 | Confident | 145 Ų | 145 | 70.8 Ų | 70.8 | 63% | 0.63 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -49.8 | -29.6 | -171.4 | -58.7 | -178.3 | -171.4 | 176.3 | 0 | 114.9 | I509 V510 H516 | I509-K512 WeakPolarHBondContact O-CE 3.38Å; I509-K512 VanDerWaalsContact O-CG 3.29Å; I509-K512 WeakPolarHBondContact O-CG 3.42Å; V510-K512 PolarHBondContact O-N 3.29Å; K512-H516 WeakPolarHBondContact O-CB 3.46Å; K512-H516 PolarHBondContact O-N 3.4Å; K512-H516 VanDerWaalsContact O-N 3.11Å |
| 513 | R | 84.2 | Confident | 85.8 | Confident | 231 Ų | 231 | 72 Ų | 72 | 87% | 0.872 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -71.4 | -48.3 | 175.8 | -71.3 | -176.9 | 178.4 | 171.6 | 0 | 112.6 | F511 H516 A517 | F511-R513 PolarHBondContact O-N 3.16Å; R513-H516 PolarHBondContact O-N 3.49Å; R513-A517 PolarHBondContact O-N 3.33Å |
| 514 | S | 83.8 | Confident | 85.7 | Confident | 40 Ų | 40 | 80 Ų | 80 | 28% | 0.28 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.7 | -48.4 | 177.4 | 158.6 | 0 | 0 | 0 | 0 | 110.4 | W507 F511 H516 A517 F518 | W507-S514 WeakPolarHBondContact CZ2-OG 3.49Å; W507-S514 PolarHBondContact NE1-OG 2.89Å; F511-S514 PolarHBondContact O-N 2.88Å; S514-H516 PolarHBondContact O-N 2.93Å; S514-H516 VanDerWaalsContact O-N 3.16Å; S514-A517 CarbonylContact O-C 3.57Å; S514-A517 WeakPolarHBondContact O-CA 3.29Å; S514-A517 WeakPolarHBondContact O-CB 3.38Å; S514-A517 PolarHBondContact O-N 2.94Å; S514-F518 PolarHBondContact O-N 3.06Å |
| 515 | Y | 87.5 | Confident | 85.3 | Confident | 42 Ų | 42 | 85.2 Ų | 85.2 | 17% | 0.165 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -57.5 | -33.6 | 174 | 178 | -100.4 | 0 | 0 | 0 | 113.3 | Y504 W507 K508 F511 F518 R519 | Y504-Y515 HydrophobicContact CE2-CE2 4.45Å; W507-Y515 HydrophobicContact CD2-CD2 4.34Å; W507-Y515 AromaticContact CE3-CD2 3.75Å; W507-Y515 HydrophobicContact CE3-CD2 3.75Å; W507-Y515 HydrophobicContact CH2-CD2 4.43Å; W507-Y515 AromaticContact CZ3-CD2 3.81Å; W507-Y515 HydrophobicContact CZ3-CD2 3.81Å; W507-Y515 HydrophobicContact CZ3-CE2 4.5Å; K508-Y515 HydrophobicContact CB-CD2 4.04Å; K508-Y515 HydrophobicContact CB-CE2 4.07Å; K508-Y515 HydrophobicContact CB-CG 4.27Å; K508-Y515 HydrophobicContact CD-CE2 4.41Å; K508-Y515 HydrophobicContact CG-CD1 4.25Å; K508-Y515 HydrophobicContact CG-CD2 4.41Å; K508-Y515 HydrophobicContact CG-CE1 3.93Å; K508-Y515 HydrophobicContact CG-CE2 4.09Å; K508-Y515 HydrophobicContact CG-CG 4.48Å; F511-Y515 PolarHBondContact O-N 3.28Å; Y515-F518 HydrophobicContact CD2-CD1 4.46Å; Y515-R519 HydrophobicContact CE1-CG 4.19Å; Y515-R519 WeakPolarHBondContact O-CB 3.38Å; Y515-R519 WeakPolarHBondContact O-CG 3.48Å; Y515-R519 PolarHBondContact O-N 2.8Å |
| 516 | H | 87 | Confident | 84.8 | Confident | 111 Ų | 111 | 82.9 Ų | 82.9 | 51% | 0.514 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -70.6 | -40.9 | 171.9 | -178.7 | -79.5 | 0 | 0 | 0 | 112.4 | K512 R513 S514 R519 M520 | K512-H516 WeakPolarHBondContact O-CB 3.46Å; K512-H516 PolarHBondContact O-N 3.4Å; K512-H516 VanDerWaalsContact O-N 3.11Å; R513-H516 PolarHBondContact O-N 3.49Å; S514-H516 PolarHBondContact O-N 2.93Å; S514-H516 VanDerWaalsContact O-N 3.16Å; H516-R519 PolarHBondContact O-N 2.86Å; H516-M520 WeakPolarHBondContact O-CG 3.4Å; H516-M520 PolarHBondContact O-N 3.42Å |
| 517 | A | 86.9 | Confident | 84.6 | Confident | 53 Ų | 53 | 89.3 Ų | 89.3 | 44% | 0.438 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.3 | -51.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | R513 S514 R519 M520 A521 | R513-A517 PolarHBondContact O-N 3.33Å; S514-A517 CarbonylContact O-C 3.57Å; S514-A517 WeakPolarHBondContact O-CA 3.29Å; S514-A517 WeakPolarHBondContact O-CB 3.38Å; S514-A517 PolarHBondContact O-N 2.94Å; A517-R519 VanDerWaalsContact C-N 3.32Å; A517-R519 PolarHBondContact O-N 2.8Å; A517-M520 CarbonylContact O-C 3.44Å; A517-M520 WeakPolarHBondContact O-CA 3.45Å; A517-M520 WeakPolarHBondContact O-CB 3.3Å; A517-M520 PolarHBondContact O-N 3.33Å; A517-A521 PolarHBondContact O-N 3.38Å |
| 518 | F | 87.1 | Confident | 84.3 | Confident | 12 Ų | 12 | 94.7 Ų | 94.7 | 5% | 0.053 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -49.2 | -50.1 | 170.2 | 167.6 | -105.9 | 0 | 0 | 0 | 111.9 | E469 L472 L473 W507 S514 Y515 M520 A521 K522 | E469-F518 HydrophobicContact CG-CB 4.37Å; E469-F518 HydrophobicContact CG-CD2 3.72Å; E469-F518 HydrophobicContact CG-CE2 4.5Å; E469-F518 HydrophobicContact CG-CG 4.43Å; E469-F518 WeakPolarHBondContact OE1-CA 3.29Å; E469-F518 WeakPolarHBondContact OE1-CB 3.13Å; L472-F518 HydrophobicContact CB-CE2 3.74Å; L472-F518 HydrophobicContact CB-CZ 3.79Å; L472-F518 HydrophobicContact CD1-CZ 4.42Å; L473-F518 HydrophobicContact CD2-CD2 3.8Å; L473-F518 HydrophobicContact CD2-CE2 3.62Å; L473-F518 HydrophobicContact CG-CD2 3.98Å; L473-F518 HydrophobicContact CG-CE2 3.77Å; W507-F518 HydrophobicContact CH2-CB 3.49Å; W507-F518 VanDerWaalsContact CH2-CB 3.49Å; W507-F518 AromaticContact CH2-CD1 3.62Å; W507-F518 HydrophobicContact CH2-CD1 3.62Å; W507-F518 AromaticContact CH2-CD2 3.86Å; W507-F518 HydrophobicContact CH2-CD2 3.86Å; W507-F518 HydrophobicContact CH2-CE1 4.29Å; W507-F518 HydrophobicContact CH2-CE2 4.47Å; W507-F518 AromaticContact CH2-CG 3.38Å; W507-F518 HydrophobicContact CH2-CG 3.38Å; W507-F518 HydrophobicContact CZ2-CB 3.87Å; W507-F518 HydrophobicContact CZ2-CG 4.25Å; W507-F518 AromaticContact CZ3-CD1 3.88Å; W507-F518 HydrophobicContact CZ3-CD1 3.88Å; W507-F518 HydrophobicContact CZ3-CE1 4.22Å; W507-F518 HydrophobicContact CZ3-CG 4.11Å; S514-F518 PolarHBondContact O-N 3.06Å; Y515-F518 HydrophobicContact CD2-CD1 4.46Å; F518-M520 PolarHBondContact O-N 3.42Å; F518-A521 PolarHBondContact O-N 3.49Å; F518-A521 VanDerWaalsContact O-N 3.12Å; F518-K522 HydrophobicContact CZ-CD 4.44Å; F518-K522 WeakPolarHBondContact O-CB 3.5Å; F518-K522 PolarHBondContact O-N 2.82Å |
| 519 | R | 88.1 | Confident | 83.5 | Confident | 110 Ų | 110 | 96.3 Ų | 96.3 | 42% | 0.415 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.1 | -31 | 177 | -87.7 | -158.4 | 60.7 | 71.9 | 13.9 | 113.3 | Y515 H516 A517 Q523 | Y515-R519 HydrophobicContact CE1-CG 4.19Å; Y515-R519 WeakPolarHBondContact O-CB 3.38Å; Y515-R519 WeakPolarHBondContact O-CG 3.48Å; Y515-R519 PolarHBondContact O-N 2.8Å; H516-R519 PolarHBondContact O-N 2.86Å; A517-R519 VanDerWaalsContact C-N 3.32Å; A517-R519 PolarHBondContact O-N 2.8Å; R519-Q523 WeakPolarHBondContact O-CB 3.37Å; R519-Q523 WeakPolarHBondContact O-CG 3.27Å; R519-Q523 PolarHBondContact O-N 3.27Å; R519-Q523 PolarHBondContact O-NE2 3.38Å |
| 520 | M | 86.3 | Confident | 82.6 | Confident | 73 Ų | 73 | 97.9 Ų | 97.9 | 36% | 0.36 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -81.3 | -35.8 | 175 | -64.1 | -58.4 | 138.9 | 0 | 0 | 112.2 | H516 A517 F518 Q523 R524 | H516-M520 WeakPolarHBondContact O-CG 3.4Å; H516-M520 PolarHBondContact O-N 3.42Å; A517-M520 CarbonylContact O-C 3.44Å; A517-M520 WeakPolarHBondContact O-CA 3.45Å; A517-M520 WeakPolarHBondContact O-CB 3.3Å; A517-M520 PolarHBondContact O-N 3.33Å; F518-M520 PolarHBondContact O-N 3.42Å; M520-Q523 PolarHBondContact O-N 3.42Å; M520-R524 WeakPolarHBondContact O-CB 3.2Å; M520-R524 VanDerWaalsContact O-CG 3.27Å; M520-R524 WeakPolarHBondContact O-CG 3.12Å; M520-R524 PolarHBondContact O-N 2.86Å |
| 521 | A | 85.2 | Confident | 81.7 | Confident | 37 Ų | 37 | 96.1 Ų | 96.1 | 31% | 0.306 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.8 | -48.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L473 A517 F518 R524 R525 | L473-A521 HydrophobicContact CD2-CB 4.44Å; A517-A521 PolarHBondContact O-N 3.38Å; F518-A521 PolarHBondContact O-N 3.49Å; F518-A521 VanDerWaalsContact O-N 3.12Å; A521-R524 WeakPolarHBondContact O-CB 3.44Å; A521-R524 PolarHBondContact O-N 3.48Å; A521-R524 VanDerWaalsContact O-N 3.15Å; A521-R525 PolarHBondContact O-N 3.03Å |
| 522 | K | 86.4 | Confident | 80.6 | Confident | 36 Ų | 36 | 100.4 Ų | 100.4 | 16% | 0.157 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -57.9 | -51 | 173.5 | 175 | 157.5 | 177.2 | 158.7 | 0 | 112.5 | L473 D476 F518 R524 R525 E526 | L473-K522 HydrophobicContact CD2-CB 4.06Å; D476-K522 IonicContact OD1-NZ 2.71Å; D476-K522 PolarHBondContact OD1-NZ 2.95Å; D476-K522 IonicContact OD2-NZ 2.68Å; D476-K522 PolarHBondContact OD2-NZ 2.88Å; F518-K522 HydrophobicContact CZ-CD 4.44Å; F518-K522 WeakPolarHBondContact O-CB 3.5Å; F518-K522 PolarHBondContact O-N 2.82Å; K522-R524 PolarHBondContact O-N 3.39Å; K522-R525 PolarHBondContact O-N 2.94Å; K522-R525 VanDerWaalsContact O-N 3.09Å; K522-E526 WeakPolarHBondContact CE-OE1 3.41Å; K522-E526 HydrophobicContact CG-CG 4.24Å; K522-E526 VanDerWaalsContact CG-OE1 3.31Å; K522-E526 WeakPolarHBondContact CG-OE1 3.18Å; K522-E526 WeakPolarHBondContact O-CB 3.32Å; K522-E526 WeakPolarHBondContact O-CG 3.43Å; K522-E526 PolarHBondContact O-N 3.39Å |
| 523 | Q | 84.8 | Confident | 79 | Confident | 76 Ų | 76 | 100.1 Ų | 100.1 | 36% | 0.355 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -59.7 | -30.6 | 176.2 | -81.1 | 169.8 | 94.5 | 0 | 0 | 113.2 | R519 M520 E526 F527 | R519-Q523 WeakPolarHBondContact O-CB 3.37Å; R519-Q523 WeakPolarHBondContact O-CG 3.27Å; R519-Q523 PolarHBondContact O-N 3.27Å; R519-Q523 PolarHBondContact O-NE2 3.38Å; M520-Q523 PolarHBondContact O-N 3.42Å; Q523-E526 WeakPolarHBondContact CA-OE2 3.21Å; Q523-F527 WeakPolarHBondContact O-CB 3.5Å; Q523-F527 PolarHBondContact O-N 3.37Å |
| 524 | R | 85.5 | Confident | 77.4 | Confident | 183 Ų | 183 | 99.7 Ų | 99.7 | 69% | 0.691 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -71.3 | -44.5 | 172.5 | -74.8 | 169.6 | 175.6 | -169.7 | -1.7 | 112 | M520 A521 K522 F527 L528 | M520-R524 WeakPolarHBondContact O-CB 3.2Å; M520-R524 VanDerWaalsContact O-CG 3.27Å; M520-R524 WeakPolarHBondContact O-CG 3.12Å; M520-R524 PolarHBondContact O-N 2.86Å; A521-R524 WeakPolarHBondContact O-CB 3.44Å; A521-R524 PolarHBondContact O-N 3.48Å; A521-R524 VanDerWaalsContact O-N 3.15Å; K522-R524 PolarHBondContact O-N 3.39Å; R524-F527 PolarHBondContact O-N 3.14Å; R524-L528 WeakPolarHBondContact O-CB 3.47Å; R524-L528 VanDerWaalsContact O-CG 3.29Å; R524-L528 WeakPolarHBondContact O-CG 3.46Å; R524-L528 PolarHBondContact O-N 2.9Å |
| 525 | R | 82.4 | Confident | 75.3 | Confident | 124 Ų | 124 | 102.3 Ų | 102.3 | 47% | 0.468 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61 | -48.6 | 175.8 | 177.7 | 171.2 | 163.2 | 166.8 | -11.7 | 111.2 | L473 A521 K522 F527 L528 Q529 | L473-R525 PolarHBondContact O-NH1 3.36Å; L473-R525 PolarHBondContact O-NH2 3.3Å; A521-R525 PolarHBondContact O-N 3.03Å; K522-R525 PolarHBondContact O-N 2.94Å; K522-R525 VanDerWaalsContact O-N 3.09Å; R525-F527 PolarHBondContact O-N 3.23Å; R525-L528 PolarHBondContact O-N 3.43Å; R525-Q529 WeakPolarHBondContact O-CB 3.34Å; R525-Q529 PolarHBondContact O-N 2.67Å |
| 526 | E | 79.6 | Confident | 73.2 | Confident | 73 Ų | 73 | 105.7 Ų | 105.7 | 34% | 0.341 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -53.6 | -51.5 | 171.7 | -70.1 | 167.2 | 175.1 | 0 | 0 | 111 | K522 Q523 L528 Q529 F530 | K522-E526 WeakPolarHBondContact CE-OE1 3.41Å; K522-E526 HydrophobicContact CG-CG 4.24Å; K522-E526 VanDerWaalsContact CG-OE1 3.31Å; K522-E526 WeakPolarHBondContact CG-OE1 3.18Å; K522-E526 WeakPolarHBondContact O-CB 3.32Å; K522-E526 WeakPolarHBondContact O-CG 3.43Å; K522-E526 PolarHBondContact O-N 3.39Å; Q523-E526 WeakPolarHBondContact CA-OE2 3.21Å; E526-L528 PolarHBondContact O-N 3.07Å; E526-Q529 PolarHBondContact O-N 3.11Å; E526-F530 WeakPolarHBondContact O-CD2 3.36Å; E526-F530 PolarHBondContact O-N 3.05Å |
| 527 | F | 79.5 | Confident | 71.1 | Confident | 158 Ų | 158 | 105.5 Ų | 105.5 | 69% | 0.693 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.4 | -36.8 | -178.9 | -176.6 | -94.5 | 0 | 0 | 0 | 113.4 | Q523 R524 R525 G531 | Q523-F527 WeakPolarHBondContact O-CB 3.5Å; Q523-F527 PolarHBondContact O-N 3.37Å; R524-F527 PolarHBondContact O-N 3.14Å; R525-F527 PolarHBondContact O-N 3.23Å; F527-G531 WeakPolarHBondContact O-CA 3.29Å; F527-G531 PolarHBondContact O-N 3.28Å |
| 528 | L | 79.4 | Confident | 69.2 | Low | 117 Ų | 117 | 108.1 Ų | 108.1 | 61% | 0.613 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -70.3 | -36.2 | 175.5 | -71.8 | 168.8 | 0 | 0 | 0 | 111.9 | R524 R525 E526 G531 R532 | R524-L528 WeakPolarHBondContact O-CB 3.47Å; R524-L528 VanDerWaalsContact O-CG 3.29Å; R524-L528 WeakPolarHBondContact O-CG 3.46Å; R524-L528 PolarHBondContact O-N 2.9Å; R525-L528 PolarHBondContact O-N 3.43Å; E526-L528 PolarHBondContact O-N 3.07Å; L528-G531 PolarHBondContact O-N 2.77Å; L528-R532 PolarHBondContact O-N 3.14Å |
| 529 | Q | 71.7 | Confident | 67.2 | Low | 122 Ų | 122 | 110.9 Ų | 110.9 | 57% | 0.57 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.6 | -50.5 | 175.1 | -168 | 172.8 | 9.7 | 0 | 0 | 111.1 | R525 E526 G531 R532 L533 | R525-Q529 WeakPolarHBondContact O-CB 3.34Å; R525-Q529 PolarHBondContact O-N 2.67Å; E526-Q529 PolarHBondContact O-N 3.11Å; Q529-G531 VanDerWaalsContact C-N 3.27Å; Q529-G531 PolarHBondContact O-N 3.48Å; Q529-R532 PolarHBondContact O-N 3.4Å; Q529-L533 WeakPolarHBondContact O-CG 3.21Å; Q529-L533 PolarHBondContact O-N 3.42Å |
| 530 | F | 65.5 | Low | 65.1 | Low | 146 Ų | 146 | 114.6 Ų | 114.6 | 64% | 0.64 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -67.8 | -25 | 173.1 | -71 | -62.7 | 0 | 0 | 0 | 113.5 | E526 L533 | E526-F530 WeakPolarHBondContact O-CD2 3.36Å; E526-F530 PolarHBondContact O-N 3.05Å; F530-L533 HydrophobicContact CD1-CD1 4.39Å |
| 531 | G | 58.9 | Low | 62.8 | Low | 34 Ų | 34 | 113.5 Ų | 113.5 | 35% | 0.351 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -70.5 | -44.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | F527 L528 Q529 L533 R534 S535 | F527-G531 WeakPolarHBondContact O-CA 3.29Å; F527-G531 PolarHBondContact O-N 3.28Å; L528-G531 PolarHBondContact O-N 2.77Å; Q529-G531 VanDerWaalsContact C-N 3.27Å; Q529-G531 PolarHBondContact O-N 3.48Å; G531-L533 VanDerWaalsContact C-N 3.29Å; G531-L533 PolarHBondContact O-N 2.94Å; G531-R534 PolarHBondContact O-N 3.01Å; G531-S535 PolarHBondContact O-N 3.1Å |
| 532 | R | 57.7 | Low | 60.5 | Low | 186 Ų | 186 | 117.5 Ų | 117.5 | 70% | 0.702 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -61.2 | -37.2 | 173.3 | -78 | -172.6 | 175.2 | -174.5 | 0.2 | 112 | L528 Q529 R534 | L528-R532 PolarHBondContact O-N 3.14Å; Q529-R532 PolarHBondContact O-N 3.4Å; R532-R534 PolarHBondContact O-N 2.99Å; R532-R534 VanDerWaalsContact O-N 3.1Å |
| 533 | L | 51.9 | Low | 58.1 | Low | 139 Ų | 139 | 124.2 Ų | 124.2 | 73% | 0.728 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 1.5 | 173.2 | -66.9 | 172.9 | 0 | 0 | 0 | 114.6 | Q529 F530 G531 | Q529-L533 WeakPolarHBondContact O-CG 3.21Å; Q529-L533 PolarHBondContact O-N 3.42Å; F530-L533 HydrophobicContact CD1-CD1 4.39Å; G531-L533 VanDerWaalsContact C-N 3.29Å; G531-L533 PolarHBondContact O-N 2.94Å |
| 534 | R | 50.8 | Low | 55.5 | Low | 222 Ų | 222 | 126.2 Ų | 126.2 | 84% | 0.838 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.1 | 8 | -176.7 | -147.6 | -175.9 | -178.1 | 173.1 | 4.2 | 115 | G531 R532 | G531-R534 PolarHBondContact O-N 3.01Å; R532-R534 PolarHBondContact O-N 2.99Å; R532-R534 VanDerWaalsContact O-N 3.1Å |
| 535 | S | 39.4 | Very low | 53.4 | Low | 94 Ų | 94 | 123.8 Ų | 123.8 | 66% | 0.657 | 67% | 0.674 | S | S | * | * | trans | -84.7 | 119.5 | 168.1 | -165.1 | 0 | 0 | 0 | 0 | 108.8 | G531 | G531-S535 PolarHBondContact O-N 3.1Š| ||
| 536 | P | 43.9 | Very low | 51.2 | Low | 113 Ų | 113 | 121.4 Ų | 121.4 | 73% | 0.734 | 68% | 0.682 | S | S | * | * | trans | -64 | 138.7 | 169.4 | 28.5 | -33.1 | 0 | 0 | 0 | 109.2 | S538 | P536-S538 PolarHBondContact O-N 3.4Å; P536-S538 VanDerWaalsContact O-N 3.14Å | ||
| 537 | A | 43.2 | Very low | 48.9 | Very low | 107 Ų | 107 | 124.6 Ų | 124.6 | 88% | 0.884 | 71% | 0.706 | S | S | * | * | trans | -74.8 | 102 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | S539 | A537-S539 PolarHBondContact O-N 3.43Å; A537-S539 VanDerWaalsContact O-N 3.09Å | ||
| 538 | S | 45.6 | Very low | 47 | Very low | 108 Ų | 108 | 123.1 Ų | 123.1 | 76% | 0.755 | 70% | 0.704 | S | S | * | * | trans | -77.7 | 98.9 | -177.2 | -145.1 | 0 | 0 | 0 | 0 | 111.1 | P536 | P536-S538 PolarHBondContact O-N 3.4Å; P536-S538 VanDerWaalsContact O-N 3.14Å | ||
| 539 | S | 46.1 | Very low | 44.8 | Very low | 70 Ų | 70 | 123.5 Ų | 123.5 | 49% | 0.49 | 71% | 0.711 | S | S | . | * | 43.6 | 102.3 | 125.2 | 64 | 0 | 0 | 0 | 0 | 118.7 | A537 G541 | A537-S539 PolarHBondContact O-N 3.43Å; A537-S539 VanDerWaalsContact O-N 3.09Å; S539-G541 VanDerWaalsContact C-N 3.35Å; S539-G541 WeakPolarHBondContact CB-O 3.44Å; S539-G541 PolarHBondContact O-N 3.18Å | |||
| 540 | N | 43.2 | Very low | 43.4 | Very low | 189 Ų | 189 | 128.2 Ų | 128.2 | 100% | 1.011 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -77.9 | 95.3 | 132 | -91.6 | -16.2 | 0 | 0 | 0 | 107 | ||
| 541 | G | 38.2 | Very low | 41.8 | Very low | 49 Ų | 49 | 126 Ų | 126 | 51% | 0.505 | 73% | 0.727 | S | S | . | * | S | Bend | trans | 148.4 | 110.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S539 | S539-G541 VanDerWaalsContact C-N 3.35Å; S539-G541 WeakPolarHBondContact CB-O 3.44Å; S539-G541 PolarHBondContact O-N 3.18Å |
| 542 | V | 36.3 | Very low | 40.7 | Very low | 122 Ų | 122 | 135.6 Ų | 135.6 | 74% | 0.739 | 75% | 0.752 | S | S | * | * | S | Bend | trans | 70.6 | 105 | 160.2 | -167.7 | 0 | 0 | 0 | 0 | 117.6 | ||
| 543 | Q | 35.7 | Very low | 39.8 | Very low | 177 Ų | 177 | 135.8 Ų | 135.8 | 83% | 0.827 | 76% | 0.761 | S | S | * | * | trans | 67 | 114.7 | 149.7 | -63.4 | 175 | 46.2 | 0 | 0 | 121.7 | ||||
| 544 | S | 31.8 | Very low | 38.9 | Very low | 117 Ų | 117 | 134.6 Ų | 134.6 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | 69.3 | 155.9 | 143.6 | -124.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 545 | V | 40.9 | Very low | 38.1 | Very low | 132 Ų | 132 | 132.8 Ų | 132.8 | 80% | 0.8 | 75% | 0.752 | S | S | * | * | cis | -133.4 | 153.3 | 18.9 | 178.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 546 | A | 35.1 | Very low | 37.8 | Very low | 75 Ų | 75 | 135.8 Ų | 135.8 | 62% | 0.62 | 76% | 0.756 | S | S | * | * | trans | -56 | 145.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | I548 | A546-I548 HydrophobicContact CB-CG1 4.33Å; A546-I548 PolarHBondContact O-N 3.46Å | ||
| 547 | V | 32.1 | Very low | 37.2 | Very low | 140 Ų | 140 | 136.8 Ų | 136.8 | 85% | 0.848 | 75% | 0.745 | S | S | * | * | trans | -65.4 | 116.6 | 162.4 | 176.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 548 | I | 40.3 | Very low | 36.8 | Very low | 126 Ų | 126 | 140.3 Ų | 140.3 | 65% | 0.646 | 74% | 0.74 | S | S | * | * | trans | -125.7 | 108.2 | 174.1 | -60.2 | -178.6 | 0 | 0 | 0 | 110.4 | A546 R550 | A546-I548 HydrophobicContact CB-CG1 4.33Å; A546-I548 PolarHBondContact O-N 3.46Å; I548-R550 PolarHBondContact O-N 3.13Å | ||
| 549 | T | 33 | Very low | 36.5 | Very low | 126 Ų | 126 | 146 Ų | 146 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | trans | -80.3 | 104.9 | 170.9 | 41.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 550 | R | 41.2 | Very low | 36 | Very low | 221 Ų | 221 | 145.5 Ų | 145.5 | 83% | 0.834 | 75% | 0.745 | S | S | * | * | trans | -152.6 | 134.1 | 159.5 | -85.5 | 113.5 | -170.3 | -121.7 | 4.9 | 107.8 | I548 | I548-R550 PolarHBondContact O-N 3.13Š| ||
| 551 | S | 32.8 | Very low | 36 | Very low | 100 Ų | 100 | 140.8 Ų | 140.8 | 70% | 0.699 | 72% | 0.723 | S | S | * | * | cis | 86.9 | 96.6 | 40.2 | -164.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 552 | R | 35.8 | Very low | 35.9 | Very low | 235 Ų | 235 | 141 Ų | 141 | 89% | 0.887 | 72% | 0.72 | S | S | * | * | trans | 67.7 | 167.3 | 155.9 | -65.1 | -177.7 | 168.2 | -170 | -2.6 | 119.7 | ||||
| 553 | Q | 38.7 | Very low | 36 | Very low | 189 Ų | 189 | 140.2 Ų | 140.2 | 88% | 0.883 | 72% | 0.718 | S | S | * | * | trans | 76.6 | 155.6 | 172.3 | -59.1 | 177.2 | -16.4 | 0 | 0 | 118.8 | ||||
| 554 | V | 32 | Very low | 36.2 | Very low | 114 Ų | 114 | 138 Ų | 138 | 69% | 0.691 | 72% | 0.716 | S | S | * | * | 177.1 | 130.3 | -83.8 | 158.3 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 555 | R | 34.6 | Very low | 36.6 | Very low | 185 Ų | 185 | 136 Ų | 136 | 70% | 0.698 | 71% | 0.707 | S | S | * | * | trans | 68.1 | 166.1 | 168.6 | -67.7 | 163.4 | -161.6 | -177 | 5.6 | 116 | ||||
| 556 | Q | 33.8 | Very low | 36.5 | Very low | 156 Ų | 156 | 137 Ų | 137 | 73% | 0.729 | 71% | 0.708 | S | S | * | * | cis | -155.4 | 133.2 | -5.3 | -120.5 | 169.9 | -23.7 | 0 | 0 | 109.3 | ||||
| 557 | W | 30.6 | Very low | 36.5 | Very low | 134 Ų | 134 | 144.9 Ų | 144.9 | 51% | 0.508 | 72% | 0.722 | S | S | . | * | 81.1 | 149.4 | 89 | -85.1 | 75 | 0 | 0 | 0 | 122.1 | R594 | W557-R594 HydrophobicContact CH2-CB 4.32Å; W557-R594 HydrophobicContact CH2-CG 3.87Å; W557-R594 HydrophobicContact CZ2-CB 4.13Å; W557-R594 HydrophobicContact CZ2-CG 4.09Å | |||
| 558 | K | 34.7 | Very low | 36.6 | Very low | 181 Ų | 181 | 142.6 Ų | 142.6 | 79% | 0.787 | 71% | 0.708 | S | S | * | * | trans | 74.7 | 158.8 | 166.1 | -66.7 | 179.5 | -179.7 | -179.1 | 0 | 117.6 | ||||
| 559 | R | 39.9 | Very low | 36.4 | Very low | 228 Ų | 228 | 144.7 Ų | 144.7 | 86% | 0.86 | 71% | 0.712 | S | S | * | * | cis | -126.6 | 155.6 | 6.6 | -97 | 129.4 | 177.7 | 179.1 | -0 | 110.4 | ||||
| 560 | A | 35.9 | Very low | 36.5 | Very low | 59 Ų | 59 | 147.4 Ų | 147.4 | 49% | 0.488 | 71% | 0.714 | S | S | . | * | 73.1 | 146.8 | 67.4 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 561 | V | 42.8 | Very low | 36 | Very low | 90 Ų | 90 | 141 Ų | 141 | 55% | 0.545 | 70% | 0.696 | S | S | . | * | cis | -153.5 | 143.3 | 34.5 | 178.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 562 | A | 35.9 | Very low | 35.9 | Very low | 54 Ų | 54 | 146.4 Ų | 146.4 | 45% | 0.446 | 70% | 0.7 | S | S | . | * | 64.7 | 161 | 71.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | H609 | A562-H609 HydrophobicContact CB-CB 4.3Š| |||
| 563 | P | 38.8 | Very low | 35.6 | Very low | 106 Ų | 106 | 138.8 Ų | 138.8 | 69% | 0.688 | 69% | 0.688 | S | S | * | * | cis | -144.1 | -168.2 | 15.3 | 43.8 | -22.5 | 0 | 0 | 0 | 118.3 | ||||
| 564 | T | 40.6 | Very low | 35.4 | Very low | 129 Ų | 129 | 137.1 Ų | 137.1 | 79% | 0.791 | 68% | 0.683 | S | S | * | * | trans | 65.5 | 146.1 | 156.9 | 44 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 565 | A | 39.1 | Very low | 35.3 | Very low | 76 Ų | 76 | 136.9 Ų | 136.9 | 63% | 0.628 | 69% | 0.687 | S | S | * | * | cis | -153.9 | 137.4 | -10.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 566 | N | 38.1 | Very low | 35.1 | Very low | 153 Ų | 153 | 131.2 Ų | 131.2 | 82% | 0.818 | 68% | 0.68 | S | S | * | * | trans | 28.3 | 122.5 | 139.2 | -51.3 | -18.4 | 0 | 0 | 0 | 123.2 | ||||
| 567 | R | 35.6 | Very low | 34.9 | Very low | 241 Ų | 241 | 132.8 Ų | 132.8 | 91% | 0.909 | 69% | 0.687 | S | S | * | * | -155.5 | 74.8 | 120.9 | -154 | 161.2 | -177.4 | 170.9 | -1.1 | 115.1 | |||||
| 568 | T | 34.4 | Very low | 34.9 | Very low | 91 Ų | 91 | 129.6 Ų | 129.6 | 56% | 0.558 | 70% | 0.696 | S | S | * | * | 48 | 131.1 | 127 | 62 | 0 | 0 | 0 | 0 | 124 | |||||
| 569 | K | 36.8 | Very low | 34.6 | Very low | 170 Ų | 170 | 128.1 Ų | 128.1 | 74% | 0.739 | 69% | 0.692 | S | S | * | * | trans | 67.6 | 132.3 | 147.7 | -57.9 | 158 | -172.8 | 176.9 | 0 | 114.8 | I571 | K569-I571 HydrophobicContact CB-CD1 4.16Å; K569-I571 HydrophobicContact CG-CD1 4.1Å | ||
| 570 | F | 33.7 | Very low | 34.2 | Very low | 184 Ų | 184 | 126.3 Ų | 126.3 | 81% | 0.807 | 69% | 0.686 | S | S | * | * | cis | -115.2 | 152.1 | 36.3 | -95.5 | -121.6 | 0 | 0 | 0 | 113.4 | ||||
| 571 | I | 32.2 | Very low | 33.8 | Very low | 87 Ų | 87 | 130.1 Ų | 130.1 | 45% | 0.446 | 70% | 0.698 | S | S | . | * | cis | 76.4 | 123.6 | 42.4 | -64.6 | 169.3 | 0 | 0 | 0 | 110.7 | K569 | K569-I571 HydrophobicContact CB-CD1 4.16Å; K569-I571 HydrophobicContact CG-CD1 4.1Å | ||
| 572 | R | 30.3 | Very low | 33.2 | Very low | 212 Ų | 212 | 132.9 Ų | 132.9 | 80% | 0.8 | 71% | 0.71 | S | S | * | * | cis | -145.7 | 163.1 | 4 | -122.1 | 165.8 | -158.3 | 126.2 | -1.5 | 110.1 | ||||
| 573 | A | 28.9 | Very low | 33.1 | Very low | 76 Ų | 76 | 136.6 Ų | 136.6 | 63% | 0.628 | 73% | 0.727 | S | S | * | * | 34.2 | 135.3 | 107 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 574 | I | 34.5 | Very low | 32.7 | Very low | 153 Ų | 153 | 139.4 Ų | 139.4 | 79% | 0.785 | 73% | 0.729 | S | S | * | * | -149.3 | 138.6 | 51.1 | -69.5 | 137.8 | 0 | 0 | 0 | 107.7 | A576 | I574-A576 VanDerWaalsContact CG2-O 3.29Å; I574-A576 WeakPolarHBondContact CG2-O 3.01Å | |||
| 575 | S | 29.7 | Very low | 32.2 | Very low | 109 Ų | 109 | 140 Ų | 140 | 76% | 0.762 | 72% | 0.721 | S | S | * | * | cis | 76.6 | 83.4 | 9.9 | -157 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 576 | A | 31.2 | Very low | 32.1 | Very low | 67 Ų | 67 | 140.4 Ų | 140.4 | 55% | 0.554 | 72% | 0.717 | S | S | * | * | trans | 68.6 | 163.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | I574 | I574-A576 VanDerWaalsContact CG2-O 3.29Å; I574-A576 WeakPolarHBondContact CG2-O 3.01Å | ||
| 577 | E | 30 | Very low | 31.6 | Very low | 188 Ų | 188 | 141.3 Ų | 141.3 | 88% | 0.879 | 72% | 0.716 | S | S | * | * | cis | -118.1 | 173.8 | -2.6 | -56.7 | -63.4 | 160.9 | 0 | 0 | 109 | ||||
| 578 | G | 30.2 | Very low | 31.5 | Very low | 67 Ų | 67 | 139.6 Ų | 139.6 | 69% | 0.691 | 72% | 0.715 | S | S | * | * | cis | -149.8 | -156.3 | -6.6 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 579 | E | 28.1 | Very low | 31.5 | Very low | 151 Ų | 151 | 140.8 Ų | 140.8 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | cis | -164.7 | 175 | 4.5 | -160.8 | 175.3 | 145 | 0 | 0 | 107.8 | ||||
| 580 | Y | 31 | Very low | 31.3 | Very low | 190 Ų | 190 | 138.3 Ų | 138.3 | 75% | 0.745 | 73% | 0.726 | S | S | * | * | trans | 77.1 | 117.6 | 173.1 | -62.8 | -78.5 | 0 | 0 | 0 | 120.3 | ||||
| 581 | D | 28.4 | Very low | 31.3 | Very low | 138 Ų | 138 | 134.6 Ų | 134.6 | 74% | 0.738 | 71% | 0.714 | S | S | * | * | trans | -70.1 | -169.6 | 174.7 | -58 | -89.4 | 0 | 0 | 0 | 115.4 | ||||
| 582 | N | 29.8 | Very low | 31.1 | Very low | 148 Ų | 148 | 138 Ų | 138 | 79% | 0.791 | 73% | 0.726 | S | S | * | * | trans | 82.9 | 133 | 169.4 | -44.7 | -72.9 | 0 | 0 | 0 | 113.5 | ||||
| 583 | V | 34.8 | Very low | 31.1 | Very low | 132 Ų | 132 | 137.3 Ų | 137.3 | 80% | 0.8 | 73% | 0.729 | S | S | * | * | cis | -141.4 | 155.1 | 15.1 | 177.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 584 | F | 28.8 | Very low | 31.5 | Very low | 165 Ų | 165 | 140.5 Ų | 140.5 | 72% | 0.724 | 72% | 0.724 | S | S | * | * | trans | -11.1 | 153.3 | 147 | -110.1 | -141 | 0 | 0 | 0 | 117.5 | ||||
| 585 | F | 30.7 | Very low | 31.8 | Very low | 142 Ų | 142 | 137.9 Ų | 137.9 | 62% | 0.623 | 72% | 0.715 | S | S | * | * | cis | -174.4 | 179.6 | 7.8 | -142.9 | -146.7 | 0 | 0 | 0 | 109.3 | ||||
| 586 | P | 36.3 | Very low | 32 | Very low | 85 Ų | 85 | 138.8 Ų | 138.8 | 55% | 0.552 | 71% | 0.706 | S | S | * | * | cis | -123.8 | 146.7 | -48.1 | 31.7 | -15.9 | 0 | 0 | 0 | 115.2 | ||||
| 587 | Q | 28.9 | Very low | 32.4 | Very low | 171 Ų | 171 | 145.3 Ų | 145.3 | 80% | 0.799 | 72% | 0.718 | S | S | * | * | trans | 42.8 | 117.5 | 136.6 | -51.7 | -177.6 | 18.8 | 0 | 0 | 122.3 | ||||
| 588 | K | 33.3 | Very low | 33 | Very low | 206 Ų | 206 | 145.3 Ų | 145.3 | 90% | 0.896 | 72% | 0.715 | S | S | * | * | trans | -154.8 | 148.1 | 135.1 | -109.9 | 150.6 | -171.9 | 165.2 | 0 | 111.3 | ||||
| 589 | P | 34.3 | Very low | 33.7 | Very low | 116 Ų | 116 | 149.3 Ų | 149.3 | 75% | 0.753 | 72% | 0.719 | S | S | * | * | trans | -84.6 | 159.8 | -154.9 | -15.2 | 33 | 0 | 0 | 0 | 116.7 | ||||
| 590 | P | 32.5 | Very low | 34.3 | Very low | 117 Ų | 117 | 151.2 Ų | 151.2 | 76% | 0.76 | 73% | 0.725 | S | S | * | * | trans | -89.7 | 131.5 | -167 | 34.1 | -35 | 0 | 0 | 0 | 114.6 | ||||
| 591 | L | 33.5 | Very low | 34.8 | Very low | 107 Ų | 107 | 146 Ų | 146 | 56% | 0.56 | 72% | 0.716 | S | S | * | * | trans | -140.6 | 89 | 176.4 | -72.3 | 177.4 | 0 | 0 | 0 | 115.5 | ||||
| 592 | F | 28.4 | Very low | 35.5 | Very low | 158 Ų | 158 | 151.2 Ų | 151.2 | 69% | 0.693 | 73% | 0.725 | S | S | * | * | trans | 53.7 | 70.6 | 145.9 | -68.4 | -81.9 | 0 | 0 | 0 | 120.3 | R594 | F592-R594 PolarHBondContact O-N 2.73Š| ||
| 593 | F | 30.2 | Very low | 36.2 | Very low | 198 Ų | 198 | 149.2 Ų | 149.2 | 87% | 0.868 | 72% | 0.723 | S | S | * | * | trans | -75.6 | 100.8 | 154.6 | -64.7 | -71.4 | 0 | 0 | 0 | 111 | V595 | F593-V595 VanDerWaalsContact C-N 3.28Å; F593-V595 HydrophobicContact CB-CG2 4.32Å; F593-V595 PolarHBondContact O-N 3.3Å | ||
| 594 | R | 36.6 | Very low | 36.7 | Very low | 142 Ų | 142 | 147.1 Ų | 147.1 | 54% | 0.536 | 72% | 0.719 | S | S | . | * | trans | -81.6 | 65.7 | -179.8 | -164.7 | -170.6 | -169.2 | 161.7 | -2.7 | 112.2 | W557 F592 F596 | W557-R594 HydrophobicContact CH2-CB 4.32Å; W557-R594 HydrophobicContact CH2-CG 3.87Å; W557-R594 HydrophobicContact CZ2-CB 4.13Å; W557-R594 HydrophobicContact CZ2-CG 4.09Å; F592-R594 PolarHBondContact O-N 2.73Å; R594-F596 HydrophobicContact CG-CE2 4.17Å; R594-F596 HydrophobicContact CG-CZ 4.4Å; R594-F596 PolarHBondContact O-N 2.64Å | ||
| 595 | V | 40.5 | Very low | 37.5 | Very low | 98 Ų | 98 | 146.7 Ų | 146.7 | 59% | 0.594 | 72% | 0.719 | S | S | * | * | trans | -69.5 | 118.6 | -180 | -174.4 | 0 | 0 | 0 | 0 | 110.6 | F593 Y597 | F593-V595 VanDerWaalsContact C-N 3.28Å; F593-V595 HydrophobicContact CB-CG2 4.32Å; F593-V595 PolarHBondContact O-N 3.3Å; V595-Y597 HydrophobicContact CG1-CD2 3.86Å; V595-Y597 HydrophobicContact CG1-CE2 3.6Å | ||
| 596 | F | 35.4 | Very low | 37.9 | Very low | 129 Ų | 129 | 148 Ų | 148 | 57% | 0.566 | 73% | 0.73 | S | S | * | * | trans | -99.2 | 97 | 171.9 | -79 | -63.6 | 0 | 0 | 0 | 110.8 | R594 K598 | R594-F596 HydrophobicContact CG-CE2 4.17Å; R594-F596 HydrophobicContact CG-CZ 4.4Å; R594-F596 PolarHBondContact O-N 2.64Å; F596-K598 PolarHBondContact O-N 2.81Å | ||
| 597 | Y | 38.1 | Very low | 38.9 | Very low | 204 Ų | 204 | 149.2 Ų | 149.2 | 80% | 0.8 | 73% | 0.726 | S | S | * | * | trans | -68.8 | 116.5 | 167.4 | -79.7 | -77.9 | 0 | 0 | 0 | 110.6 | V595 I599 | V595-Y597 HydrophobicContact CG1-CD2 3.86Å; V595-Y597 HydrophobicContact CG1-CE2 3.6Å; Y597-I599 PolarHBondContact O-N 2.79Å | ||
| 598 | K | 43.7 | Very low | 39.9 | Very low | 188 Ų | 188 | 147.6 Ų | 147.6 | 82% | 0.817 | 72% | 0.721 | S | S | * | * | trans | -91.7 | 73.7 | -177.8 | -170 | 175.5 | -178.4 | 175.1 | 0 | 110.7 | F596 K600 | F596-K598 PolarHBondContact O-N 2.81Å; K598-K600 PolarHBondContact O-N 3.16Å | ||
| 599 | I | 43.8 | Very low | 40.9 | Very low | 151 Ų | 151 | 142.2 Ų | 142.2 | 77% | 0.774 | 70% | 0.699 | S | S | * | * | trans | -64.3 | 114.8 | 173.8 | -58.2 | 176.4 | 0 | 0 | 0 | 108.6 | Y597 S601 | Y597-I599 PolarHBondContact O-N 2.79Å; I599-S601 PolarHBondContact O-N 2.77Å | ||
| 600 | K | 41.9 | Very low | 41.7 | Very low | 191 Ų | 191 | 146.9 Ų | 146.9 | 83% | 0.83 | 70% | 0.704 | S | S | * | * | trans | -88.1 | 86.4 | 173.4 | -82.4 | -173.9 | 171.4 | -176.4 | 0 | 110.1 | K598 | K598-K600 PolarHBondContact O-N 3.16Š| ||
| 601 | S | 41 | Very low | 42.6 | Very low | 81 Ų | 81 | 151.7 Ų | 151.7 | 57% | 0.566 | 71% | 0.707 | S | S | * | * | trans | -76.3 | 153.6 | 151.8 | 53.1 | 0 | 0 | 0 | 0 | 109.4 | I599 S603 | I599-S601 PolarHBondContact O-N 2.77Å; S601-S603 PolarHBondContact OG-O 2.95Å | ||
| 602 | R | 43.8 | Very low | 43 | Very low | 247 Ų | 247 | 155.7 Ų | 155.7 | 93% | 0.932 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -83.8 | -7.4 | -175.1 | -116.7 | 177.3 | 177 | 167.7 | -2.5 | 114.6 | ||
| 603 | S | 42.9 | Very low | 43.7 | Very low | 105 Ų | 105 | 155.6 Ų | 155.6 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -151.7 | 154.5 | 174.8 | -170.7 | 0 | 0 | 0 | 0 | 110.4 | S601 | S601-S603 PolarHBondContact OG-O 2.95Š|
| 604 | A | 47 | Very low | 44.4 | Very low | 88 Ų | 88 | 153.3 Ų | 153.3 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | trans | 56.3 | 133.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 605 | H | 45 | Very low | 44.9 | Very low | 156 Ų | 156 | 153.9 Ų | 153.9 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | trans | -120.4 | 106.7 | 173.5 | 164.5 | -74.9 | 0 | 0 | 0 | 109.2 | ||||
| 606 | M | 39.1 | Very low | 45.1 | Very low | 171 Ų | 171 | 157.2 Ų | 157.2 | 84% | 0.842 | 76% | 0.76 | S | S | * | * | trans | -112.2 | 132.7 | 178.3 | -162.9 | 91.4 | 80 | 0 | 0 | 110 | ||||
| 607 | K | 56.9 | Low | 45.7 | Very low | 109 Ų | 109 | 159 Ų | 159 | 47% | 0.474 | 77% | 0.772 | S | S | . | * | trans | -143.1 | 97.3 | -174 | -162.7 | 173.2 | -161.3 | 159 | 0 | 111.4 | ||||
| 608 | I | 49.9 | Very low | 46.2 | Very low | 137 Ų | 137 | 156 Ų | 156 | 70% | 0.703 | 77% | 0.77 | S | S | * | * | trans | -72 | 133.8 | -176.5 | -57.7 | 173.8 | 0 | 0 | 0 | 109.9 | Y610 | I608-Y610 HydrophobicContact CG2-CD2 3.97Å; I608-Y610 HydrophobicContact CG2-CE2 3.78Å | ||
| 609 | H | 55.4 | Low | 46.4 | Very low | 94 Ų | 94 | 153.7 Ų | 153.7 | 44% | 0.435 | 77% | 0.767 | S | S | . | * | trans | -120 | 106.6 | 173.4 | -84.1 | -82.2 | 0 | 0 | 0 | 109.3 | A562 | A562-H609 HydrophobicContact CB-CB 4.3Š| ||
| 610 | Y | 49.7 | Very low | 46.6 | Very low | 214 Ų | 214 | 153.9 Ų | 153.9 | 84% | 0.839 | 77% | 0.766 | S | S | * | * | trans | -73 | 140.5 | 166.6 | -77.6 | -94.6 | 0 | 0 | 0 | 110.1 | I608 | I608-Y610 HydrophobicContact CG2-CD2 3.97Å; I608-Y610 HydrophobicContact CG2-CE2 3.78Å | ||
| 611 | R | 52.1 | Low | 47 | Very low | 218 Ų | 218 | 150.8 Ų | 150.8 | 82% | 0.823 | 76% | 0.761 | S | S | * | * | trans | -96.5 | 129.7 | 159.8 | -89.4 | -171.6 | 177 | -175.3 | 0.4 | 108.4 | ||||
| 612 | S | 41.5 | Very low | 47.6 | Very low | 190 Ų | 190 | 157.2 Ų | 157.2 | 100% | 1.329 | 78% | 0.778 | S | S | * | * | trans | -122.3 | 0 | 146.9 | 60.6 | 0 | 0 | 0 | 0 | 104.8 |
Retrieved 612 of 612 residues in 273.6 ms
(Link to these results)