| 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 | 32.3 | Very low | 42.2 | Very low | 253 Ų | 253 | 141.3 Ų | 141.3 | 100% | 1.246 | 80% | 0.802 | S | S | * | * | 0 | 144.2 | 0 | -58.1 | 171.8 | -176.1 | 0 | 0 | 107.1 | |||||
| 2 | G | 31.3 | Very low | 43 | Very low | 75 Ų | 75 | 138.3 Ų | 138.3 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | cis | -172.8 | 138 | -4.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 3 | T | 34.4 | Very low | 42.2 | Very low | 142 Ų | 142 | 140.9 Ų | 140.9 | 87% | 0.871 | 79% | 0.794 | S | S | * | * | trans | -78.4 | -174.4 | -176.4 | 43.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 4 | P | 59.5 | Low | 41.4 | Very low | 112 Ų | 112 | 140.4 Ų | 140.4 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | cis | -121.5 | -156.6 | 1.4 | 41.7 | -22.8 | 0 | 0 | 0 | 112.3 | ||||
| 5 | R | 40.4 | Very low | 40.7 | Very low | 218 Ų | 218 | 140.4 Ų | 140.4 | 82% | 0.823 | 78% | 0.784 | S | S | * | * | cis | -156.1 | 179.9 | 8.2 | -140.6 | -178.9 | -174.1 | 123.3 | 2.3 | 106 | ||||
| 6 | A | 36.4 | Very low | 40.1 | Very low | 73 Ų | 73 | 143.1 Ų | 143.1 | 60% | 0.603 | 79% | 0.785 | S | S | * | * | cis | -159.7 | -172.1 | 2.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 7 | Q | 31.3 | Very low | 39.5 | Very low | 155 Ų | 155 | 143.9 Ų | 143.9 | 72% | 0.724 | 79% | 0.787 | S | S | * | * | cis | -143.3 | 8.3 | -7.5 | -156.4 | 131.2 | -95.3 | 0 | 0 | 114.4 | ||||
| 8 | H | 34.7 | Very low | 39.6 | Very low | 192 Ų | 192 | 144.1 Ų | 144.1 | 89% | 0.889 | 79% | 0.785 | S | S | * | * | trans | 90.2 | 155 | 168.5 | -66.4 | -67.5 | 0 | 0 | 0 | 121.9 | ||||
| 9 | P | 58.9 | Low | 39.1 | Very low | 109 Ų | 109 | 144.5 Ų | 144.5 | 71% | 0.708 | 79% | 0.786 | S | S | * | * | trans | -107.8 | -130.7 | -178.3 | 29.1 | -4.5 | 0 | 0 | 0 | 111.6 | ||||
| 10 | P | 49.1 | Very low | 38.8 | Very low | 113 Ų | 113 | 144.4 Ų | 144.4 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | -144.9 | -128.2 | 51.6 | 48.7 | -24.8 | 0 | 0 | 0 | 113.9 | |||||
| 11 | P | 56 | Low | 38.4 | Very low | 112 Ų | 112 | 143.2 Ų | 143.2 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -123.6 | -144.5 | -159 | 35.7 | -7.1 | 0 | 0 | 0 | 111.8 | ||||
| 12 | P | 51.5 | Low | 38.2 | Very low | 106 Ų | 106 | 135.8 Ų | 135.8 | 69% | 0.688 | 76% | 0.758 | S | S | * | * | cis | -145.3 | 172.9 | -6 | 44.4 | -24.5 | 0 | 0 | 0 | 120.3 | ||||
| 13 | Q | 32.8 | Very low | 39.1 | Very low | 172 Ų | 172 | 137.9 Ų | 137.9 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | 72.1 | 131 | 140.4 | -85.5 | -173.3 | -0.6 | 0 | 0 | 126.6 | ||||
| 14 | L | 31.3 | Very low | 39 | Very low | 133 Ų | 133 | 142.1 Ų | 142.1 | 70% | 0.696 | 76% | 0.758 | S | S | * | * | trans | 92 | 128.2 | 135.8 | -107.6 | 76.4 | 0 | 0 | 0 | 125.2 | ||||
| 15 | L | 31.1 | Very low | 37.6 | Very low | 141 Ų | 141 | 142.9 Ų | 142.9 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | trans | 62 | 122.4 | 136.3 | -114.5 | 83.3 | 0 | 0 | 0 | 125.4 | ||||
| 16 | F | 29.9 | Very low | 37.2 | Very low | 184 Ų | 184 | 141.2 Ų | 141.2 | 81% | 0.807 | 76% | 0.756 | S | S | * | * | trans | 57.6 | 155.5 | 133.7 | -109 | -75.6 | 0 | 0 | 0 | 124.7 | ||||
| 17 | L | 30.7 | Very low | 36.9 | Very low | 156 Ų | 156 | 141.5 Ų | 141.5 | 82% | 0.817 | 77% | 0.767 | S | S | * | * | trans | 89.1 | 149.3 | 155.7 | -78.9 | 171.7 | 0 | 0 | 0 | 120.7 | ||||
| 18 | I | 41.7 | Very low | 36.7 | Very low | 148 Ų | 148 | 142.3 Ų | 142.3 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | trans | -126.3 | 137.9 | -178.3 | -54.1 | 171.7 | 0 | 0 | 0 | 106.9 | ||||
| 19 | L | 30.1 | Very low | 38 | Very low | 151 Ų | 151 | 138.6 Ų | 138.6 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | trans | 144.6 | 143.8 | 141.3 | -80.8 | 176.3 | 0 | 0 | 0 | 114.7 | ||||
| 20 | L | 32.9 | Very low | 36.4 | Very low | 143 Ų | 143 | 141.8 Ų | 141.8 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | trans | 65.9 | 144.6 | 148.4 | -69.9 | 164.4 | 0 | 0 | 0 | 121.5 | ||||
| 21 | S | 29.4 | Very low | 35.4 | Very low | 119 Ų | 119 | 143.8 Ų | 143.8 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | -142.2 | 121.7 | 151 | 60.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 22 | C | 29.7 | Very low | 34.1 | Very low | 98 Ų | 98 | 144.3 Ų | 144.3 | 66% | 0.662 | 77% | 0.768 | S | S | * | * | trans | -119.7 | 174 | 173.8 | -58.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 23 | P | 49.6 | Very low | 32.9 | Very low | 118 Ų | 118 | 147.1 Ų | 147.1 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | trans | -120.5 | 117.7 | 145 | 4.8 | 16.8 | 0 | 0 | 0 | 112.7 | ||||
| 24 | W | 31.5 | Very low | 32.7 | Very low | 231 Ų | 231 | 147.1 Ų | 147.1 | 88% | 0.875 | 77% | 0.772 | S | S | * | * | 56.2 | 133.8 | 119.9 | -69.1 | 41.8 | 0 | 0 | 0 | 118.1 | |||||
| 25 | I | 30.5 | Very low | 32.4 | Very low | 128 Ų | 128 | 148.9 Ų | 148.9 | 66% | 0.656 | 78% | 0.78 | S | S | * | * | cis | -160.1 | 149.5 | 43.8 | -120.5 | 143.2 | 0 | 0 | 0 | 112.5 | ||||
| 26 | Q | 31.8 | Very low | 32.6 | Very low | 184 Ų | 184 | 149 Ų | 149 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | trans | 21.4 | 139.9 | 153.8 | -51.5 | 170.4 | -14.3 | 0 | 0 | 123.1 | ||||
| 27 | G | 30.1 | Very low | 32.6 | Very low | 79 Ų | 79 | 146.1 Ų | 146.1 | 81% | 0.814 | 78% | 0.78 | S | S | * | * | trans | 147.5 | 121.2 | 146.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 28 | L | 27.6 | Very low | 32.5 | Very low | 172 Ų | 172 | 146.5 Ų | 146.5 | 90% | 0.901 | 78% | 0.778 | S | S | * | * | trans | -123.5 | 171.1 | 169.1 | -81.2 | 168.1 | 0 | 0 | 0 | 108.6 | ||||
| 29 | P | 61.4 | Low | 32.3 | Very low | 113 Ų | 113 | 145.1 Ų | 145.1 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | -123.7 | -176.9 | -86.1 | 33.5 | -12.7 | 0 | 0 | 0 | 112.1 | |||||
| 30 | L | 25.7 | Very low | 32.1 | Very low | 177 Ų | 177 | 141 Ų | 141 | 93% | 0.927 | 77% | 0.773 | S | S | * | * | trans | -162.5 | -175 | 157.7 | -114.5 | 169.7 | 0 | 0 | 0 | 113.3 | ||||
| 31 | K | 27.8 | Very low | 31.8 | Very low | 155 Ų | 155 | 140.1 Ų | 140.1 | 67% | 0.674 | 78% | 0.779 | S | S | * | * | trans | -131.4 | 179.6 | -163.5 | -170.8 | 177.8 | 166.3 | -88.3 | 0 | 110.5 | ||||
| 32 | E | 28.8 | Very low | 31.7 | Very low | 122 Ų | 122 | 143.8 Ų | 143.8 | 57% | 0.57 | 78% | 0.783 | S | S | * | * | trans | 71.5 | 145.7 | 179.1 | -88.9 | 67.7 | -140.4 | 0 | 0 | 114.4 | ||||
| 33 | E | 27.4 | Very low | 31.7 | Very low | 166 Ų | 166 | 145.4 Ų | 145.4 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | cis | -156.6 | -160.3 | -11.4 | -140.7 | 165.4 | -176.9 | 0 | 0 | 111.2 | ||||
| 34 | E | 28.4 | Very low | 30.8 | Very low | 172 Ų | 172 | 145.6 Ų | 145.6 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -56.5 | 161.2 | -169.8 | -57.7 | 178.2 | 113 | 0 | 0 | 118.6 | ||||
| 35 | I | 25.4 | Very low | 30.9 | Very low | 169 Ų | 169 | 141.2 Ų | 141.2 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | -173.3 | 143.9 | 118.6 | -94.2 | 155.4 | 0 | 0 | 0 | 111.7 | |||||
| 36 | L | 34.5 | Very low | 30.8 | Very low | 143 Ų | 143 | 141.6 Ų | 141.6 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | trans | -83.3 | 159.6 | 179 | -145.2 | 80.5 | 0 | 0 | 0 | 112.5 | E38 | L36-E38 HydrophobicContact CD2-CG 4.28Š| ||
| 37 | P | 29.3 | Very low | 30.7 | Very low | 124 Ų | 124 | 136.3 Ų | 136.3 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | -148.6 | 163.6 | 91.6 | 38.7 | -21.6 | 0 | 0 | 0 | 116.9 | |||||
| 38 | E | 28.2 | Very low | 31.2 | Very low | 164 Ų | 164 | 138 Ų | 138 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | trans | -90 | -175.4 | 167.4 | -71.1 | -163.5 | 146.4 | 0 | 0 | 112.3 | L36 | L36-E38 HydrophobicContact CD2-CG 4.28Š| ||
| 39 | P | 38.6 | Very low | 31.6 | Very low | 119 Ų | 119 | 138.1 Ų | 138.1 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | -131.1 | 174.8 | -58.4 | 37.8 | -23 | 0 | 0 | 0 | 112.2 | |||||
| 40 | G | 25.7 | Very low | 30.4 | Very low | 66 Ų | 66 | 136.4 Ų | 136.4 | 68% | 0.68 | 78% | 0.776 | S | S | * | * | trans | -173.7 | 104.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 41 | S | 26.3 | Very low | 30.8 | Very low | 124 Ų | 124 | 134.9 Ų | 134.9 | 87% | 0.867 | 77% | 0.768 | S | S | * | * | trans | 40.9 | 98.3 | 154.9 | 62.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 42 | E | 26.7 | Very low | 31.2 | Very low | 195 Ų | 195 | 131.1 Ų | 131.1 | 91% | 0.911 | 77% | 0.767 | S | S | * | * | trans | -127.9 | 146.4 | 146.8 | -71.9 | -162.9 | 146.9 | 0 | 0 | 110 | ||||
| 43 | T | 29.7 | Very low | 31.8 | Very low | 132 Ų | 132 | 133 Ų | 133 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 123.1 | -177.6 | 49.4 | 0 | 0 | 0 | 0 | 110.9 | T45 | T43-T45 PolarHBondContact O-N 3.44Š|
| 44 | P | 32 | Very low | 32.3 | Very low | 123 Ų | 123 | 132.3 Ų | 132.3 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 128.6 | 175.7 | 28.6 | -33.4 | 0 | 0 | 0 | 111 | ||
| 45 | T | 32.3 | Very low | 32.7 | Very low | 139 Ų | 139 | 131 Ų | 131 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 139.3 | 167.7 | 36.9 | 0 | 0 | 0 | 0 | 110.5 | T43 | T43-T45 PolarHBondContact O-N 3.44Š|
| 46 | V | 29.2 | Very low | 33.4 | Very low | 135 Ų | 135 | 131.5 Ų | 131.5 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 125 | -179 | 177.1 | 0 | 0 | 0 | 0 | 110 | ||
| 47 | A | 29.7 | Very low | 33.5 | Very low | 73 Ų | 73 | 128.5 Ų | 128.5 | 60% | 0.603 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 148.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E49 | A47-E49 VanDerWaalsContact C-N 3.29Å; A47-E49 PolarHBondContact O-N 3.12Å |
| 48 | S | 40 | Very low | 33.9 | Very low | 114 Ų | 114 | 126.8 Ų | 126.8 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -76.4 | 0.2 | -165.1 | 43.3 | 0 | 0 | 0 | 0 | 116.4 | A50 | S48-A50 VanDerWaalsContact C-N 3.32Å; S48-A50 PolarHBondContact O-N 2.78Å |
| 49 | E | 35.7 | Very low | 34.2 | Very low | 175 Ų | 175 | 127 Ų | 127 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | G | 310 helix | trans | -76.3 | -14.5 | -175.1 | -65.8 | 179.9 | 114.6 | 0 | 0 | 114.3 | A47 L51 | A47-E49 VanDerWaalsContact C-N 3.29Å; A47-E49 PolarHBondContact O-N 3.12Å; E49-L51 VanDerWaalsContact C-N 3.3Å; E49-L51 PolarHBondContact O-N 2.99Å |
| 50 | A | 36 | Very low | 34.1 | Very low | 77 Ų | 77 | 129.4 Ų | 129.4 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | G | 310 helix | trans | -77.8 | -5.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | S48 | S48-A50 VanDerWaalsContact C-N 3.32Å; S48-A50 PolarHBondContact O-N 2.78Å |
| 51 | L | 34.8 | Very low | 34.6 | Very low | 145 Ų | 145 | 137.9 Ų | 137.9 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | G | 310 helix | trans | -93.5 | -16.1 | -170.6 | -148.9 | 74.4 | 0 | 0 | 0 | 114.7 | E49 | E49-L51 VanDerWaalsContact C-N 3.3Å; E49-L51 PolarHBondContact O-N 2.99Å |
| 52 | A | 36.5 | Very low | 34.8 | Very low | 77 Ų | 77 | 144.3 Ų | 144.3 | 64% | 0.636 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -78.6 | -33.4 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | L54 | A52-L54 VanDerWaalsContact C-N 3.33Å; A52-L54 PolarHBondContact O-N 2.86Å |
| 53 | E | 40.9 | Very low | 35 | Very low | 161 Ų | 161 | 138.2 Ų | 138.2 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -12.2 | -174.5 | -72.4 | -165.9 | 142.2 | 0 | 0 | 114.4 | ||
| 54 | L | 37.4 | Very low | 35.6 | Very low | 152 Ų | 152 | 138.1 Ų | 138.1 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | -2 | -168.4 | -90.3 | 167 | 0 | 0 | 0 | 116.5 | A52 | A52-L54 VanDerWaalsContact C-N 3.33Å; A52-L54 PolarHBondContact O-N 2.86Å |
| 55 | L | 37.3 | Very low | 35.5 | Very low | 144 Ų | 144 | 141.4 Ų | 141.4 | 75% | 0.754 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -108.6 | -10.5 | -173.2 | -92.7 | 166 | 0 | 0 | 0 | 116.6 | G57 | L55-G57 PolarHBondContact O-N 2.82Š|
| 56 | H | 39.9 | Very low | 35.3 | Very low | 179 Ų | 179 | 143.6 Ų | 143.6 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | 2.9 | -173.2 | -79.9 | 92.8 | 0 | 0 | 0 | 115.9 | ||
| 57 | G | 38 | Very low | 35.4 | Very low | 81 Ų | 81 | 141 Ų | 141 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -11.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | L55 | L55-G57 PolarHBondContact O-N 2.82Š|
| 58 | A | 36.7 | Very low | 35.3 | Very low | 87 Ų | 87 | 147.4 Ų | 147.4 | 72% | 0.719 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -99.1 | -8.4 | -157.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 59 | L | 34 | Very low | 34.8 | Very low | 168 Ų | 168 | 149 Ų | 149 | 88% | 0.88 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -118.8 | 15.8 | -165.9 | -79.4 | 173.8 | 0 | 0 | 0 | 116.8 | ||
| 60 | L | 38.1 | Very low | 35 | Very low | 171 Ų | 171 | 146.4 Ų | 146.4 | 90% | 0.895 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -129 | 43.6 | 177.7 | -75.3 | 177.9 | 0 | 0 | 0 | 115.2 | ||
| 61 | R | 34.5 | Very low | 34.5 | Very low | 244 Ų | 244 | 146.2 Ų | 146.2 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | -141.5 | 93.2 | 161.1 | -72.5 | -164.2 | 178.4 | -174.3 | 0.7 | 113.7 | ||||
| 62 | R | 32 | Very low | 34.3 | Very low | 259 Ų | 259 | 145.2 Ų | 145.2 | 98% | 0.977 | 82% | 0.817 | S | S | * | * | trans | -134.7 | 88.9 | 152.3 | -94.3 | -170.2 | 172 | 178.9 | -1.1 | 109.9 | ||||
| 63 | G | 29.7 | Very low | 33.9 | Very low | 67 Ų | 67 | 148.7 Ų | 148.7 | 69% | 0.691 | 83% | 0.825 | S | S | * | * | trans | -98 | 158.4 | 159.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 64 | P | 42.4 | Very low | 33.9 | Very low | 129 Ų | 129 | 146.8 Ų | 146.8 | 84% | 0.838 | 83% | 0.826 | S | S | * | * | trans | -89.1 | 152.3 | -172.3 | 35.1 | -35.2 | 0 | 0 | 0 | 113.5 | ||||
| 65 | E | 30.7 | Very low | 33.5 | Very low | 193 Ų | 193 | 145.8 Ų | 145.8 | 90% | 0.902 | 82% | 0.822 | S | S | * | * | trans | -121.6 | 154.6 | 161.1 | -73.5 | -159.7 | 132.7 | 0 | 0 | 110.9 | ||||
| 66 | M | 27.5 | Very low | 33.6 | Very low | 185 Ų | 185 | 143.6 Ų | 143.6 | 91% | 0.911 | 82% | 0.816 | S | S | * | * | trans | -95.1 | 136.5 | -177.6 | -61.9 | -179.2 | -177.7 | 0 | 0 | 111.8 | ||||
| 67 | G | 31.5 | Very low | 33.1 | Very low | 81 Ų | 81 | 140.8 Ų | 140.8 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | trans | -123 | 133.3 | 160 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 68 | Y | 27.8 | Very low | 32.7 | Very low | 207 Ų | 207 | 145.1 Ų | 145.1 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | trans | -123.2 | 163.8 | -168.3 | -141.1 | -84.5 | 0 | 0 | 0 | 111.8 | ||||
| 69 | L | 29 | Very low | 32.3 | Very low | 148 Ų | 148 | 145.8 Ų | 145.8 | 78% | 0.775 | 82% | 0.821 | S | S | * | * | trans | 87.7 | 149.6 | 170.9 | -51.9 | 169.6 | 0 | 0 | 0 | 117 | ||||
| 70 | P | 40.9 | Very low | 32.1 | Very low | 119 Ų | 119 | 144.7 Ų | 144.7 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | -141 | 150.2 | -51.6 | 36.8 | -20.8 | 0 | 0 | 0 | 115.3 | |||||
| 71 | G | 25.6 | Very low | 32.2 | Very low | 73 Ų | 73 | 142 Ų | 142 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | trans | 90.7 | 113.7 | 139.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 72 | S | 29.8 | Very low | 32.3 | Very low | 124 Ų | 124 | 136.2 Ų | 136.2 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | -172.3 | 112.7 | 119.6 | 38.6 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 73 | D | 28.8 | Very low | 32.3 | Very low | 150 Ų | 150 | 129.1 Ų | 129.1 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | trans | -72.3 | 150.4 | 159.3 | -101.8 | -51.3 | 0 | 0 | 0 | 109.1 | ||||
| 74 | P | 39.8 | Very low | 32.2 | Very low | 121 Ų | 121 | 129.2 Ų | 129.2 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | -144.3 | 139.1 | 64.7 | 37.6 | -18.8 | 0 | 0 | 0 | 118.1 | |||||
| 75 | D | 29 | Very low | 31.7 | Very low | 131 Ų | 131 | 132.2 Ų | 132.2 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | trans | -59.6 | 152.6 | 150.1 | -173.3 | 35.5 | 0 | 0 | 0 | 111 | ||||
| 76 | P | 40.4 | Very low | 31.6 | Very low | 99 Ų | 99 | 129.2 Ų | 129.2 | 64% | 0.643 | 80% | 0.803 | S | S | * | * | -151.2 | 160.4 | 101 | 41.2 | -25 | 0 | 0 | 0 | 117.5 | |||||
| 77 | T | 29.6 | Very low | 31.5 | Very low | 120 Ų | 120 | 127.8 Ų | 127.8 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | trans | 82.7 | 115.2 | 160.9 | 67.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 78 | L | 29.3 | Very low | 31.4 | Very low | 171 Ų | 171 | 127.9 Ų | 127.9 | 90% | 0.895 | 79% | 0.792 | S | S | * | * | cis | 95.5 | 89.4 | 38.1 | -173.9 | 116.3 | 0 | 0 | 0 | 113.9 | ||||
| 79 | A | 27.8 | Very low | 31.9 | Very low | 102 Ų | 102 | 124.2 Ų | 124.2 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | trans | -155.4 | 139.2 | 152.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 80 | T | 30.9 | Very low | 32.2 | Very low | 144 Ų | 144 | 123.2 Ų | 123.2 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | trans | -104.1 | 159.5 | 175 | 20.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 81 | P | 38.3 | Very low | 31.7 | Very low | 116 Ų | 116 | 122.6 Ų | 122.6 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | trans | -95.1 | -179.3 | -164.7 | 39.2 | -38.9 | 0 | 0 | 0 | 114.3 | ||||
| 82 | P | 38.2 | Very low | 32 | Very low | 122 Ų | 122 | 126.9 Ų | 126.9 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | trans | -137.6 | 135.3 | 135.4 | 36.3 | -23.6 | 0 | 0 | 0 | 116.6 | ||||
| 83 | A | 30.6 | Very low | 32.5 | Very low | 109 Ų | 109 | 127 Ų | 127 | 90% | 0.901 | 79% | 0.794 | S | S | * | * | trans | 64.6 | 136.9 | 141.1 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 84 | G | 29.3 | Very low | 32.4 | Very low | 69 Ų | 69 | 131.6 Ų | 131.6 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | trans | 114.2 | 91.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 85 | Q | 30.8 | Very low | 31.9 | Very low | 192 Ų | 192 | 130.3 Ų | 130.3 | 90% | 0.897 | 80% | 0.8 | S | S | * | * | 57.8 | 123 | 68.9 | -60.9 | -169.5 | -5.3 | 0 | 0 | 112.8 | |||||
| 86 | T | 28.1 | Very low | 31.7 | Very low | 131 Ų | 131 | 130.9 Ų | 130.9 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | cis | -146.6 | 161.6 | 19.6 | -50.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 87 | L | 26.8 | Very low | 31.1 | Very low | 155 Ų | 155 | 134.7 Ų | 134.7 | 81% | 0.812 | 82% | 0.817 | S | S | * | * | trans | -59.3 | 152.1 | 169 | -63.1 | 153.2 | 0 | 0 | 0 | 111.9 | ||||
| 88 | A | 28.9 | Very low | 31.8 | Very low | 83 Ų | 83 | 134.9 Ų | 134.9 | 69% | 0.686 | 82% | 0.82 | S | S | * | * | cis | 91.6 | 127 | 31.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 89 | V | 37 | Very low | 31.6 | Very low | 130 Ų | 130 | 129.8 Ų | 129.8 | 79% | 0.788 | 81% | 0.809 | S | S | * | * | trans | 13.6 | 141 | 158.4 | -166.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 90 | P | 37.2 | Very low | 31.6 | Very low | 127 Ų | 127 | 132.2 Ų | 132.2 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | -131.8 | 157.5 | 141.5 | 38.7 | -27.9 | 0 | 0 | 0 | 114.8 | ||||
| 91 | S | 28.6 | Very low | 31.4 | Very low | 105 Ų | 105 | 128.6 Ų | 128.6 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | trans | -152 | 147.6 | 168.4 | 59 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 92 | L | 33.5 | Very low | 31.6 | Very low | 164 Ų | 164 | 128.6 Ų | 128.6 | 86% | 0.859 | 81% | 0.805 | S | S | * | * | trans | 63.9 | 165.6 | 175.3 | -104.7 | 74.3 | 0 | 0 | 0 | 115.8 | ||||
| 93 | P | 39.5 | Very low | 31 | Very low | 126 Ų | 126 | 130.1 Ų | 130.1 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | cis | -138.8 | -162.1 | 43.3 | 42.8 | -22.2 | 0 | 0 | 0 | 116.9 | ||||
| 94 | R | 25.8 | Very low | 30.7 | Very low | 247 Ų | 247 | 131.5 Ų | 131.5 | 93% | 0.932 | 80% | 0.803 | S | S | * | * | trans | -105.7 | 168.6 | -172.3 | -169.7 | 169.7 | 177 | 161.9 | -1.4 | 112.6 | ||||
| 95 | A | 29.6 | Very low | 30.5 | Very low | 94 Ų | 94 | 134.3 Ų | 134.3 | 78% | 0.777 | 81% | 0.806 | S | S | * | * | trans | -82.5 | -173 | -164.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 96 | T | 26.5 | Very low | 30.3 | Very low | 142 Ų | 142 | 129.5 Ų | 129.5 | 87% | 0.871 | 80% | 0.8 | S | S | * | * | trans | -143.3 | 158.9 | 173 | -36.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 97 | E | 27.6 | Very low | 30.3 | Very low | 180 Ų | 180 | 130.1 Ų | 130.1 | 84% | 0.841 | 80% | 0.803 | S | S | * | * | trans | -88.7 | -160.9 | -170.5 | -45.6 | -176 | 110.3 | 0 | 0 | 113 | ||||
| 98 | P | 43.6 | Very low | 30.2 | Very low | 124 Ų | 124 | 128.7 Ų | 128.7 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | cis | -141.3 | -179.7 | -6.9 | 41 | -22.2 | 0 | 0 | 0 | 117.3 | ||||
| 99 | G | 24.8 | Very low | 31.1 | Very low | 63 Ų | 63 | 129.4 Ų | 129.4 | 65% | 0.649 | 80% | 0.798 | S | S | * | * | trans | 143.6 | 103 | 140 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 100 | T | 29 | Very low | 30.6 | Very low | 154 Ų | 154 | 130.7 Ų | 130.7 | 95% | 0.945 | 80% | 0.8 | S | S | * | * | trans | 71.7 | 141.1 | 147.9 | -8.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 101 | G | 25.2 | Very low | 30.2 | Very low | 68 Ų | 68 | 128 Ų | 128 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | trans | -102.9 | -149.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 102 | P | 42.4 | Very low | 30.2 | Very low | 115 Ų | 115 | 128.8 Ų | 128.8 | 75% | 0.747 | 80% | 0.796 | S | S | * | * | cis | -138.3 | 179.6 | 11.6 | 44.1 | -26.6 | 0 | 0 | 0 | 117.2 | ||||
| 103 | L | 25.7 | Very low | 30 | Very low | 154 Ų | 154 | 132.7 Ų | 132.7 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | trans | 49.6 | 109.1 | 149.1 | -77.4 | 163.6 | 0 | 0 | 0 | 121.1 | ||||
| 104 | T | 25.8 | Very low | 29.5 | Very low | 138 Ų | 138 | 130.2 Ų | 130.2 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | 166.6 | 165.8 | 108.5 | 39.8 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 105 | T | 25.2 | Very low | 29.5 | Very low | 129 Ų | 129 | 123.9 Ų | 123.9 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | trans | -45.9 | 131.6 | -174.1 | 47.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 106 | A | 26.3 | Very low | 29.4 | Very low | 91 Ų | 91 | 122.9 Ų | 122.9 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | 77.6 | 164.1 | 123.9 | 0 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 107 | V | 28 | Very low | 30.6 | Very low | 143 Ų | 143 | 121.8 Ų | 121.8 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | trans | 88.2 | 122.7 | 168.3 | -173.5 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 108 | T | 24.6 | Very low | 30.6 | Very low | 126 Ų | 126 | 119.3 Ų | 119.3 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -99.6 | -171.8 | 170.7 | 59.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 109 | P | 48 | Very low | 29.9 | Very low | 97 Ų | 97 | 117.9 Ų | 117.9 | 63% | 0.63 | 79% | 0.787 | S | S | * | * | cis | -136.3 | -161.4 | -2.2 | 40.2 | -19.3 | 0 | 0 | 0 | 113.9 | ||||
| 110 | N | 26.8 | Very low | 30.9 | Very low | 157 Ų | 157 | 120 Ų | 120 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | trans | 58.9 | 120.6 | 158.6 | -57.9 | -16 | 0 | 0 | 0 | 118.3 | ||||
| 111 | G | 27.7 | Very low | 30.9 | Very low | 70 Ų | 70 | 121 Ų | 121 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | cis | 126.5 | 173.3 | 27.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 112 | V | 29.1 | Very low | 30.9 | Very low | 123 Ų | 123 | 124.3 Ų | 124.3 | 75% | 0.745 | 78% | 0.784 | S | S | * | * | trans | 84 | 104 | 155.9 | -171.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 113 | R | 29.3 | Very low | 30.3 | Very low | 245 Ų | 245 | 126.3 Ų | 126.3 | 93% | 0.925 | 79% | 0.788 | S | S | * | * | trans | 62.7 | 154.8 | 143.9 | -62.3 | 170.7 | -172.6 | 177.8 | 0.8 | 121.4 | ||||
| 114 | G | 27.9 | Very low | 30.3 | Very low | 75 Ų | 75 | 125 Ų | 125 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | 159.6 | 52.5 | 147.5 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 115 | A | 27.1 | Very low | 31.1 | Very low | 114 Ų | 114 | 124 Ų | 124 | 94% | 0.942 | 78% | 0.782 | S | S | * | * | trans | -51.1 | 150.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 116 | G | 27.8 | Very low | 32.2 | Very low | 72 Ų | 72 | 123 Ų | 123 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | trans | 150.8 | 147.5 | 155 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 117 | P | 50.3 | Low | 33.2 | Very low | 120 Ų | 120 | 124.4 Ų | 124.4 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | trans | -130.8 | -164.3 | -139.5 | 39.9 | -21.8 | 0 | 0 | 0 | 116.6 | ||||
| 118 | T | 29.1 | Very low | 33.4 | Very low | 127 Ų | 127 | 121 Ų | 121 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | trans | 78.2 | 95.4 | 164.2 | 47.7 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 119 | A | 27.6 | Very low | 33.8 | Very low | 94 Ų | 94 | 121.3 Ų | 121.3 | 78% | 0.777 | 78% | 0.776 | S | S | * | * | 54.6 | 158.5 | 109.2 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 120 | P | 46.4 | Very low | 33 | Very low | 107 Ų | 107 | 123.1 Ų | 123.1 | 70% | 0.695 | 79% | 0.785 | S | S | * | * | cis | -138.6 | -167.5 | -29.4 | 38.4 | -19 | 0 | 0 | 0 | 114.3 | ||||
| 121 | E | 29.5 | Very low | 33 | Very low | 176 Ų | 176 | 119.9 Ų | 119.9 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | trans | 66.4 | 164.7 | 163.4 | -68.1 | -172.8 | 91.2 | 0 | 0 | 119.5 | ||||
| 122 | L | 25 | Very low | 33.6 | Very low | 137 Ų | 137 | 122.3 Ų | 122.3 | 72% | 0.717 | 78% | 0.783 | S | S | * | * | cis | -173.2 | 157.8 | -42.3 | -171.5 | 66.9 | 0 | 0 | 0 | 107.5 | ||||
| 123 | L | 28.4 | Very low | 34.8 | Very low | 157 Ų | 157 | 122 Ų | 122 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | trans | 105.9 | 151.7 | 163.4 | -57.7 | 168.3 | 0 | 0 | 0 | 119 | ||||
| 124 | T | 25.5 | Very low | 35.2 | Very low | 128 Ų | 128 | 116.2 Ų | 116.2 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | -138.6 | -158.5 | -170.7 | 60.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 125 | P | 43.6 | Very low | 36 | Very low | 115 Ų | 115 | 118.2 Ų | 118.2 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | cis | -124.2 | -99.2 | -14.3 | 21.1 | 4.9 | 0 | 0 | 0 | 118.7 | ||||
| 126 | P | 49 | Very low | 36.6 | Very low | 108 Ų | 108 | 118.3 Ų | 118.3 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | trans | -125 | -147.3 | -132.6 | 44.6 | -24 | 0 | 0 | 0 | 112.9 | ||||
| 127 | P | 46.2 | Very low | 37.1 | Very low | 122 Ų | 122 | 121.1 Ų | 121.1 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | cis | -141.1 | 177.3 | -10.7 | 41.7 | -22.8 | 0 | 0 | 0 | 118.6 | ||||
| 128 | G | 32.8 | Very low | 36.1 | Very low | 72 Ų | 72 | 119.8 Ų | 119.8 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | trans | 90 | 157.9 | 148.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 129 | T | 33.3 | Very low | 36.1 | Very low | 132 Ų | 132 | 119.5 Ų | 119.5 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | cis | -151.8 | 170 | -15.9 | 49.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 130 | T | 30.3 | Very low | 36.8 | Very low | 135 Ų | 135 | 121.4 Ų | 121.4 | 83% | 0.828 | 78% | 0.783 | S | S | * | * | -174.9 | 169.7 | 51.9 | -34.9 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 131 | A | 27.8 | Very low | 35.8 | Very low | 89 Ų | 89 | 119.8 Ų | 119.8 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | trans | -121.1 | -155.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 132 | P | 40.3 | Very low | 36.1 | Very low | 121 Ų | 121 | 117.3 Ų | 117.3 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | cis | -136.5 | -175.5 | -15.4 | 30.8 | -5.8 | 0 | 0 | 0 | 115.8 | ||||
| 133 | P | 53.7 | Low | 37.3 | Very low | 115 Ų | 115 | 116.1 Ų | 116.1 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | trans | -104.5 | -178.7 | -177.2 | 42.2 | -36.8 | 0 | 0 | 0 | 115.5 | ||||
| 134 | P | 38.2 | Very low | 37.2 | Very low | 124 Ų | 124 | 117.1 Ų | 117.1 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | -147.4 | -134.9 | 94.8 | 36.1 | -10.8 | 0 | 0 | 0 | 116.1 | |||||
| 135 | P | 43.1 | Very low | 37.3 | Very low | 117 Ų | 117 | 114.2 Ų | 114.2 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | -126 | -167.9 | -116.3 | 42.2 | -21.6 | 0 | 0 | 0 | 118.6 | |||||
| 136 | S | 39.9 | Very low | 37.4 | Very low | 117 Ų | 117 | 114.4 Ų | 114.4 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -57.7 | 158.5 | -167.3 | -31.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 137 | P | 39.7 | Very low | 36.5 | Very low | 131 Ų | 131 | 118.6 Ų | 118.6 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | -145.7 | -175.3 | 129.9 | 40.9 | -26.4 | 0 | 0 | 0 | 115.1 | |||||
| 138 | A | 27.9 | Very low | 35.7 | Very low | 91 Ų | 91 | 116.4 Ų | 116.4 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | trans | -139.9 | 154.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 139 | S | 30 | Very low | 35.7 | Very low | 121 Ų | 121 | 116 Ų | 116 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | 58.4 | 134.9 | 167.1 | -61.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 140 | P | 42.1 | Very low | 35.6 | Very low | 135 Ų | 135 | 118.5 Ų | 118.5 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | trans | -124.7 | 164.4 | 154.2 | 38.1 | -26.6 | 0 | 0 | 0 | 113.9 | ||||
| 141 | G | 26 | Very low | 35.8 | Very low | 73 Ų | 73 | 120.3 Ų | 120.3 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | trans | -122.4 | 176.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 142 | P | 34.7 | Very low | 35.8 | Very low | 124 Ų | 124 | 124.2 Ų | 124.2 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | trans | -103.9 | -173.7 | -168.8 | 42 | -37.5 | 0 | 0 | 0 | 113.4 | ||||
| 143 | P | 50.6 | Low | 35.3 | Very low | 111 Ų | 111 | 124.1 Ų | 124.1 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | cis | -127.4 | -175.7 | -30.5 | 31.1 | -12.1 | 0 | 0 | 0 | 112.4 | ||||
| 144 | L | 27 | Very low | 34.2 | Very low | 178 Ų | 178 | 124.4 Ų | 124.4 | 93% | 0.932 | 80% | 0.795 | S | S | * | * | 172.4 | 146.6 | 129.6 | -91.3 | 162.2 | 0 | 0 | 0 | 111.2 | |||||
| 145 | G | 26.4 | Very low | 34 | Very low | 67 Ų | 67 | 124.7 Ų | 124.7 | 69% | 0.691 | 79% | 0.794 | S | S | * | * | trans | -119.9 | -145.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 146 | P | 46.8 | Very low | 33.7 | Very low | 119 Ų | 119 | 124.3 Ų | 124.3 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | cis | -138 | -146.9 | 3.2 | 41.4 | -19.4 | 0 | 0 | 0 | 113.5 | ||||
| 147 | E | 28.5 | Very low | 33.5 | Very low | 196 Ų | 196 | 125.9 Ų | 125.9 | 92% | 0.916 | 79% | 0.788 | S | S | * | * | trans | 68.6 | 129.4 | 178.1 | -57.8 | -172.1 | 97.4 | 0 | 0 | 116.3 | ||||
| 148 | G | 30.5 | Very low | 33.5 | Very low | 76 Ų | 76 | 125.9 Ų | 125.9 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | cis | -163.9 | 143.7 | -10.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 149 | G | 32.2 | Very low | 33.8 | Very low | 64 Ų | 64 | 127.2 Ų | 127.2 | 66% | 0.66 | 78% | 0.778 | S | S | * | * | 86.3 | 134.1 | 76.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 150 | E | 32.9 | Very low | 34 | Very low | 184 Ų | 184 | 126.5 Ų | 126.5 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | cis | -153.2 | 165.9 | -3.8 | -78.2 | 106 | 138.7 | 0 | 0 | 106.5 | ||||
| 151 | E | 33.9 | Very low | 33.6 | Very low | 173 Ų | 173 | 125.5 Ų | 125.5 | 81% | 0.808 | 76% | 0.76 | S | S | * | * | cis | -156.5 | 179.2 | 3.2 | -138.1 | 179.2 | 161.3 | 0 | 0 | 110.6 | ||||
| 152 | E | 27.2 | Very low | 34 | Very low | 171 Ų | 171 | 127.4 Ų | 127.4 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | trans | 54.3 | 138.9 | 162.1 | -68.9 | -159 | 136.3 | 0 | 0 | 121.9 | ||||
| 153 | T | 30 | Very low | 33.8 | Very low | 119 Ų | 119 | 126.4 Ų | 126.4 | 73% | 0.73 | 75% | 0.749 | S | S | * | * | cis | -129.7 | 151.8 | 7.6 | 34 | 0 | 0 | 0 | 0 | 112.9 | T155 | T153-T155 PolarHBondContact O-N 2.74Š| ||
| 154 | T | 30.3 | Very low | 33 | Very low | 122 Ų | 122 | 126.9 Ų | 126.9 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | trans | -78.5 | 113.9 | -175.1 | -55 | 0 | 0 | 0 | 0 | 113.4 | T156 | T154-T156 HydrophobicContact CG2-CG2 4.06Š| ||
| 155 | T | 35.2 | Very low | 33.2 | Very low | 130 Ų | 130 | 123.1 Ų | 123.1 | 80% | 0.798 | 73% | 0.734 | S | S | * | * | trans | -104.2 | 83.7 | 157.1 | -55.4 | 0 | 0 | 0 | 0 | 109 | T153 I157 | T153-T155 PolarHBondContact O-N 2.74Å; T155-I157 PolarHBondContact O-N 2.81Å; T155-I157 VanDerWaalsContact O-N 3.12Å | ||
| 156 | T | 35.3 | Very low | 33.6 | Very low | 109 Ų | 109 | 125.7 Ų | 125.7 | 67% | 0.669 | 74% | 0.737 | S | S | * | * | trans | -63 | 111.8 | 171.1 | 11.1 | 0 | 0 | 0 | 0 | 108.6 | T154 I158 | T154-T156 HydrophobicContact CG2-CG2 4.06Å; T156-I158 VanDerWaalsContact C-N 3.3Å; T156-I158 PolarHBondContact O-N 2.88Å | ||
| 157 | I | 36.2 | Very low | 32.8 | Very low | 150 Ų | 150 | 125.7 Ų | 125.7 | 77% | 0.769 | 73% | 0.734 | S | S | * | * | trans | -67.1 | 96.5 | 171.2 | -59.3 | 176.2 | 0 | 0 | 0 | 106.9 | T155 T159 | T155-I157 PolarHBondContact O-N 2.81Å; T155-I157 VanDerWaalsContact O-N 3.12Å; I157-T159 PolarHBondContact O-N 2.88Å | ||
| 158 | I | 38.8 | Very low | 33.1 | Very low | 131 Ų | 131 | 120.9 Ų | 120.9 | 67% | 0.672 | 72% | 0.718 | S | S | * | * | trans | -64.8 | 104.7 | 166.7 | -53.8 | 176.5 | 0 | 0 | 0 | 105.2 | T156 T160 | T156-I158 VanDerWaalsContact C-N 3.3Å; T156-I158 PolarHBondContact O-N 2.88Å; I158-T160 HydrophobicContact CB-CG2 4.49Å; I158-T160 HydrophobicContact CG2-CG2 3.76Å; I158-T160 PolarHBondContact O-N 2.75Å | ||
| 159 | T | 34.6 | Very low | 33.4 | Very low | 118 Ų | 118 | 121.2 Ų | 121.2 | 72% | 0.724 | 71% | 0.709 | S | S | * | * | trans | -65.8 | 83.3 | 159.3 | 48.1 | 0 | 0 | 0 | 0 | 107 | I157 T161 | I157-T159 PolarHBondContact O-N 2.88Å; T159-T161 PolarHBondContact O-N 2.75Å | ||
| 160 | T | 35 | Very low | 34 | Very low | 106 Ų | 106 | 122.3 Ų | 122.3 | 65% | 0.65 | 70% | 0.704 | S | S | * | * | trans | -64.5 | 87 | 160.6 | 48.4 | 0 | 0 | 0 | 0 | 106 | I158 T162 | I158-T160 HydrophobicContact CB-CG2 4.49Å; I158-T160 HydrophobicContact CG2-CG2 3.76Å; I158-T160 PolarHBondContact O-N 2.75Å; T160-T162 PolarHBondContact O-N 2.78Å | ||
| 161 | T | 33.4 | Very low | 35 | Very low | 114 Ų | 114 | 114.6 Ų | 114.6 | 70% | 0.699 | 67% | 0.67 | S | S | * | * | trans | -56.9 | 96.2 | 156.6 | -44.2 | 0 | 0 | 0 | 0 | 104.8 | T159 V163 | T159-T161 PolarHBondContact O-N 2.75Å; T161-V163 HydrophobicContact CG2-CG2 3.92Å; T161-V163 PolarHBondContact O-N 2.83Å | ||
| 162 | T | 33.9 | Very low | 36.3 | Very low | 113 Ų | 113 | 112.1 Ų | 112.1 | 69% | 0.693 | 66% | 0.661 | S | S | * | * | trans | -70.3 | 73.3 | 166.9 | 49.5 | 0 | 0 | 0 | 0 | 106.4 | T160 T164 | T160-T162 PolarHBondContact O-N 2.78Å; T162-T164 PolarHBondContact O-N 3.29Å | ||
| 163 | V | 32.3 | Very low | 38.5 | Very low | 103 Ų | 103 | 106.1 Ų | 106.1 | 62% | 0.624 | 64% | 0.638 | S | S | * | * | trans | -55.9 | 98 | 147.2 | -174 | 0 | 0 | 0 | 0 | 103.2 | T161 T165 | T161-V163 HydrophobicContact CG2-CG2 3.92Å; T161-V163 PolarHBondContact O-N 2.83Å; V163-T165 HydrophobicContact CG1-CG2 3.9Å; V163-T165 PolarHBondContact O-N 2.87Å | ||
| 164 | T | 32.9 | Very low | 40.8 | Very low | 121 Ų | 121 | 105.1 Ų | 105.1 | 74% | 0.742 | 63% | 0.628 | S | S | * | * | trans | -65 | 77.3 | 157.9 | 45.3 | 0 | 0 | 0 | 0 | 105.4 | T162 T166 | T162-T164 PolarHBondContact O-N 3.29Å; T164-T166 PolarHBondContact O-N 3.44Å | ||
| 165 | T | 30.5 | Very low | 43.2 | Very low | 100 Ų | 100 | 101.9 Ų | 101.9 | 61% | 0.613 | 61% | 0.606 | S | S | * | * | trans | -53 | 104.1 | 151.3 | 46.1 | 0 | 0 | 0 | 0 | 103.7 | V163 V167 | V163-T165 HydrophobicContact CG1-CG2 3.9Å; V163-T165 PolarHBondContact O-N 2.87Å; T165-V167 PolarHBondContact O-N 3.04Å | ||
| 166 | T | 35.3 | Very low | 45.6 | Very low | 120 Ų | 120 | 100.8 Ų | 100.8 | 74% | 0.736 | 60% | 0.595 | S | S | * | * | trans | -57.3 | 90.6 | 159.4 | 46.8 | 0 | 0 | 0 | 0 | 104.7 | T164 T168 | T164-T166 PolarHBondContact O-N 3.44Å; T166-T168 PolarHBondContact O-N 3.33Å | ||
| 167 | V | 29.7 | Very low | 48.1 | Very low | 120 Ų | 120 | 96.5 Ų | 96.5 | 73% | 0.727 | 57% | 0.568 | S | S | * | * | trans | -68.3 | 89 | 166.7 | 179.1 | 0 | 0 | 0 | 0 | 103.1 | T165 S169 | T165-V167 PolarHBondContact O-N 3.04Å; V167-S169 PolarHBondContact O-N 3.32Å | ||
| 168 | T | 36.1 | Very low | 50.6 | Low | 94 Ų | 94 | 93.6 Ų | 93.6 | 58% | 0.577 | 56% | 0.561 | S | S | * | * | trans | -62.3 | 82.6 | 165.6 | 23.9 | 0 | 0 | 0 | 0 | 106.3 | T166 | T166-T168 PolarHBondContact O-N 3.33Š| ||
| 169 | S | 35.2 | Very low | 52.9 | Low | 84 Ų | 84 | 93.6 Ų | 93.6 | 59% | 0.587 | 56% | 0.558 | S | S | * | * | trans | -52.9 | 123.2 | 159.6 | 43.8 | 0 | 0 | 0 | 0 | 105.7 | V167 V171 | V167-S169 PolarHBondContact O-N 3.32Å; S169-V171 PolarHBondContact O-N 3.5Å | ||
| 170 | P | 46.3 | Very low | 55.4 | Low | 87 Ų | 87 | 89.6 Ų | 89.6 | 57% | 0.565 | 54% | 0.541 | S | S | * | . | trans | -58 | 119.1 | -178.7 | 22.8 | -32.5 | 0 | 0 | 0 | 107.3 | L172 | P170-L172 PolarHBondContact O-N 3.48Š| ||
| 171 | V | 52.6 | Low | 58.2 | Low | 22 Ų | 22 | 90 Ų | 90 | 13% | 0.133 | 54% | 0.535 | C | S | . | . | trans | -63.5 | 107.8 | -167.8 | -168.4 | 0 | 0 | 0 | 0 | 107.8 | S169 C173 N175 I177 Y204 | S169-V171 PolarHBondContact O-N 3.5Å; V171-C173 PolarHBondContact O-N 3.13Å; V171-N175 HydrophobicContact CG1-CB 4.09Å; V171-I177 HydrophobicContact CG1-CD1 4.18Å; V171-Y204 HydrophobicContact CB-CE1 4.22Å; V171-Y204 HydrophobicContact CG1-CD1 3.83Å; V171-Y204 HydrophobicContact CG1-CE1 3.67Å | ||
| 172 | L | 62.5 | Low | 61 | Low | 120 Ų | 120 | 85.1 Ų | 85.1 | 63% | 0.628 | 51% | 0.508 | S | S | * | . | trans | -62.1 | 139.3 | -173.9 | -69.5 | 165.5 | 0 | 0 | 0 | 109.4 | P170 N174 N175 Y204 | P170-L172 PolarHBondContact O-N 3.48Å; L172-N174 PolarHBondContact O-N 2.74Å; L172-N175 PolarHBondContact N-ND2 2.87Å; L172-N175 VanDerWaalsContact O-CB 3.25Å; L172-N175 WeakPolarHBondContact O-CB 3.4Å; L172-N175 VanDerWaalsContact O-CG 3.31Å; L172-N175 PolarHBondContact O-N 3.18Å; L172-N175 VanDerWaalsContact O-N 3.09Å; L172-Y204 WeakPolarHBondContact O-CE1 3.33Å | ||
| 173 | C | 73.1 | Confident | 63.6 | Low | 45 Ų | 45 | 84.4 Ų | 84.4 | 30% | 0.304 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | 132 | 170.3 | -173.3 | 0 | 0 | 0 | 0 | 109.7 | V171 P187 D201 C202 | V171-C173 PolarHBondContact O-N 3.13Å; C173-P187 HydrophobicContact CB-CG 4.26Å; C173-D201 PolarHBondContact SG-O 2.72Å; C173-C202 HydrophobicContact CB-CB 4.04Å; C173-C202 WeakPolarHBondContact CB-SG 3.45Å; C173-C202 WeakPolarHBondContact SG-CA 3.17Å; C173-C202 WeakPolarHBondContact SG-CB 3.2Å; C173-C202 CovalentContact SG-SG 2.04Å; C173-C202 PolarHBondContact SG-SG 3.37Å |
| 174 | N | 77.8 | Confident | 66.3 | Low | 99 Ų | 99 | 79.5 Ų | 79.5 | 53% | 0.529 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | 31.9 | -174.5 | -56.8 | -30.1 | 0 | 0 | 0 | 115.7 | L172 C202 T203 | L172-N174 PolarHBondContact O-N 2.74Å; N174-C202 WeakPolarHBondContact OD1-CA 3.25Å; N174-T203 WeakPolarHBondContact CA-O 3.19Å; N174-T203 PolarHBondContact OD1-N 3.26Å |
| 175 | N | 79.8 | Confident | 68.8 | Low | 53 Ų | 53 | 75.6 Ų | 75.6 | 28% | 0.283 | 44% | 0.437 | S | S | . | . | trans | -72.5 | 142.7 | 171 | -98.1 | -3.5 | 0 | 0 | 0 | 113.5 | V171 L172 I177 Y204 S205 | V171-N175 HydrophobicContact CG1-CB 4.09Å; L172-N175 PolarHBondContact N-ND2 2.87Å; L172-N175 VanDerWaalsContact O-CB 3.25Å; L172-N175 WeakPolarHBondContact O-CB 3.4Å; L172-N175 VanDerWaalsContact O-CG 3.31Å; L172-N175 PolarHBondContact O-N 3.18Å; L172-N175 VanDerWaalsContact O-N 3.09Å; N175-I177 HydrophobicContact CB-CG1 4.4Å; N175-Y204 HydrophobicContact CB-CD1 4.26Å; N175-Y204 WeakPolarHBondContact O-CA 3.42Å; N175-S205 PolarHBondContact O-N 3Å; N175-S205 VanDerWaalsContact O-N 3.08Å | ||
| 176 | N | 86.5 | Confident | 71.1 | Confident | 107 Ų | 107 | 72.3 Ų | 72.3 | 57% | 0.572 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 129.5 | 166.9 | -172.6 | 19.2 | 0 | 0 | 0 | 109.4 | S205 | N176-S205 CarbonylContact C-O 3.38Å; N176-S205 WeakPolarHBondContact CA-O 3.33Å; N176-S205 WeakPolarHBondContact CA-OG 3.5Å; N176-S205 WeakPolarHBondContact CB-OG 3.32Å; N176-S205 PolarHBondContact OD1-O 2.88Å; N176-S205 VanDerWaalsContact OD1-O 3.12Å; N176-S205 PolarHBondContact OD1-OG 3.4Å |
| 177 | I | 88.3 | Confident | 73 | Confident | 19 Ų | 19 | 67.9 Ų | 67.9 | 10% | 0.097 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 125.2 | -164.4 | -57.6 | 176.3 | 0 | 0 | 0 | 108.4 | V171 N175 V184 S205 I206 H207 Y283 | V171-I177 HydrophobicContact CG1-CD1 4.18Å; N175-I177 HydrophobicContact CB-CG1 4.4Å; I177-V184 HydrophobicContact CD1-CG2 3.83Å; I177-S205 PolarHBondContact N-O 2.82Å; I177-I206 HydrophobicContact CB-CG1 4.48Å; I177-I206 CarbonylContact O-C 3.57Å; I177-I206 WeakPolarHBondContact O-CA 3.34Å; I177-H207 PolarHBondContact O-N 3.26Å; I177-Y283 HydrophobicContact CG2-CE1 4.15Å; I177-Y283 HydrophobicContact CG2-CE2 4.37Å; I177-Y283 WeakPolarHBondContact CG2-OH 3.43Å |
| 178 | S | 88 | Confident | 74.6 | Confident | 89 Ų | 89 | 68.6 Ų | 68.6 | 62% | 0.622 | 39% | 0.391 | S | S | * | . | trans | -127.8 | 20.1 | -176.3 | 68.4 | 0 | 0 | 0 | 0 | 114.1 | H207 | S178-H207 WeakPolarHBondContact CA-O 3.5Š| ||
| 179 | E | 88.2 | Confident | 75.4 | Confident | 131 Ų | 131 | 66.3 Ų | 66.3 | 61% | 0.612 | 38% | 0.375 | S | S | * | . | trans | -85 | 157.4 | 176 | -63.7 | 176.7 | 156.1 | 0 | 0 | 110.1 | ||||
| 180 | G | 86 | Confident | 76.1 | Confident | 35 Ų | 35 | 65.3 Ų | 65.3 | 36% | 0.361 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -79.4 | -16.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q284 A285 | G180-Q284 CarbonylContact O-C 3.58Å; G180-A285 WeakPolarHBondContact O-CB 3.28Å; G180-A285 PolarHBondContact O-N 2.8Å |
| 181 | E | 93.6 | Very high | 76.3 | Confident | 113 Ų | 113 | 64 Ų | 64 | 53% | 0.528 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 148.4 | 178.7 | -167.5 | -167.7 | 158.4 | 0 | 0 | 108.6 | H282 Y283 Q284 | E181-H282 WeakPolarHBondContact CG-NE2 3.31Å; E181-H282 IonicContact OE1-CD2 2.8Å; E181-H282 IonicContact OE1-CE1 3.63Å; E181-H282 IonicContact OE1-NE2 2.82Å; E181-H282 PolarHBondContact OE1-NE2 2.59Å; E181-Y283 CarbonylContact C-O 3.52Å; E181-Y283 VanDerWaalsContact CA-O 3.29Å; E181-Y283 WeakPolarHBondContact CA-O 3.16Å; E181-Y283 WeakPolarHBondContact CG-O 2.98Å; E181-Y283 PolarHBondContact O-OH 3.35Å; E181-Q284 HydrophobicContact CG-CB 4.06Å |
| 182 | G | 91.8 | Very high | 76 | Confident | 13 Ų | 13 | 67.9 Ų | 67.9 | 13% | 0.134 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.4 | -154.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | H282 Y283 | G182-H282 WeakPolarHBondContact O-CA 3.31Å; G182-H282 PolarHBondContact O-CD2 2.78Å; G182-H282 VanDerWaalsContact O-CD2 3.26Å; G182-Y283 PolarHBondContact N-O 2.95Å; G182-Y283 WeakPolarHBondContact O-CD1 3.25Å; G182-Y283 PolarHBondContact O-N 2.88Å |
| 183 | Y | 89.9 | Confident | 75.5 | Confident | 98 Ų | 98 | 67.8 Ų | 67.8 | 38% | 0.384 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 140.3 | -177.2 | -64.1 | -91.1 | 0 | 0 | 0 | 111 | R280 I281 H282 | Y183-R280 HydrophobicContact CD1-CG 4.16Å; Y183-I281 CarbonylContact C-O 3.31Å; Y183-I281 WeakPolarHBondContact CA-O 3.43Å; Y183-H282 HydrophobicContact CD1-CB 4.07Å; Y183-H282 HydrophobicContact CE1-CB 3.76Å; Y183-H282 AromaticContact CE1-CD2 3.75Å; Y183-H282 AromaticContact CZ-CD2 3.55Å |
| 184 | V | 89.2 | Confident | 74.3 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 130.4 | 166.4 | -171.3 | 0 | 0 | 0 | 0 | 108.4 | I177 Y204 I206 L266 F279 I281 Y283 | I177-V184 HydrophobicContact CD1-CG2 3.83Å; V184-Y204 HydrophobicContact CG1-CD1 3.76Å; V184-Y204 HydrophobicContact CG1-CD2 3.85Å; V184-Y204 HydrophobicContact CG1-CE1 4.06Å; V184-Y204 HydrophobicContact CG1-CE2 4.14Å; V184-Y204 HydrophobicContact CG1-CG 3.63Å; V184-I206 HydrophobicContact CG2-CD1 3.92Å; V184-L266 HydrophobicContact CB-CD1 4.13Å; V184-L266 HydrophobicContact CG1-CD1 4.15Å; V184-L266 HydrophobicContact CG2-CD1 4.16Å; V184-F279 HydrophobicContact CG1-CE2 4.11Å; V184-I281 PolarHBondContact N-O 2.91Å; V184-I281 PolarHBondContact O-N 2.93Å; V184-Y283 HydrophobicContact CG2-CD1 4Å; V184-Y283 HydrophobicContact CG2-CE1 4.24Å |
| 185 | E | 85.3 | Confident | 72.9 | Confident | 38 Ų | 38 | 72 Ų | 72 | 18% | 0.178 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 147.8 | -173.3 | -59.7 | -174.6 | -172.3 | 0 | 0 | 110.3 | Y204 F279 R280 | E185-Y204 PolarHBondContact O-OH 3.01Å; E185-F279 WeakPolarHBondContact CA-O 3.45Å; E185-R280 VanDerWaalsContact CD-NE 3.3Å; E185-R280 HydrophobicContact CG-CB 4.34Å; E185-R280 HydrophobicContact CG-CG 4.11Å; E185-R280 IonicContact OE1-CZ 3.21Å; E185-R280 IonicContact OE1-NE 2.72Å; E185-R280 PolarHBondContact OE1-NE 2.78Å; E185-R280 IonicContact OE1-NH2 2.87Å; E185-R280 PolarHBondContact OE1-NH2 2.77Å; E185-R280 IonicContact OE2-CZ 3.61Å; E185-R280 IonicContact OE2-NE 3.81Å; E185-R280 IonicContact OE2-NH2 2.78Å; E185-R280 PolarHBondContact OE2-NH2 2.97Å |
| 186 | S | 79 | Confident | 71.6 | Confident | 31 Ų | 31 | 75.3 Ų | 75.3 | 22% | 0.217 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 140.9 | 172.5 | 48 | 0 | 0 | 0 | 0 | 111.6 | D188 G278 F279 | S186-D188 PolarHBondContact O-N 3.49Å; S186-G278 WeakPolarHBondContact OG-CA 3.44Å; S186-F279 PolarHBondContact N-O 2.86Å; S186-F279 PolarHBondContact OG-N 3.43Å; S186-F279 VanDerWaalsContact OG-N 3.07Å; S186-F279 PolarHBondContact OG-O 2.83Å |
| 187 | P | 74.2 | Confident | 70.1 | Confident | 27 Ų | 27 | 76.2 Ų | 76.2 | 18% | 0.175 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 124.4 | -172.3 | -24.5 | 35 | 0 | 0 | 0 | 114 | C173 L189 L200 Y204 | C173-P187 HydrophobicContact CB-CG 4.26Å; P187-L189 PolarHBondContact O-N 3.07Å; P187-L200 HydrophobicContact CG-CD2 4.19Å; P187-Y204 WeakPolarHBondContact CD-OH 3.36Å; P187-Y204 VanDerWaalsContact CG-OH 3.31Å; P187-Y204 WeakPolarHBondContact CG-OH 3.44Å |
| 188 | D | 62.7 | Low | 68.5 | Low | 135 Ų | 135 | 77.8 Ų | 77.8 | 72% | 0.722 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -82.8 | 116.3 | -172.6 | -152.9 | -1.8 | 0 | 0 | 0 | 112.3 | S186 G190 | S186-D188 PolarHBondContact O-N 3.49Å; D188-G190 PolarHBondContact O-N 3.29Å |
| 189 | L | 53.5 | Low | 67.5 | Low | 47 Ų | 47 | 78 Ų | 78 | 25% | 0.246 | 45% | 0.45 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 15.1 | -166.1 | -74.5 | 173.9 | 0 | 0 | 0 | 115.5 | P187 S191 S194 V273 P274 | P187-L189 PolarHBondContact O-N 3.07Å; L189-S191 PolarHBondContact O-N 2.9Å; L189-S194 VanDerWaalsContact CD2-OG 3.25Å; L189-S194 WeakPolarHBondContact CD2-OG 3.42Å; L189-V273 HydrophobicContact CD1-CG1 3.39Å; L189-P274 HydrophobicContact CD1-CB 4.45Å; L189-P274 HydrophobicContact CD1-CG 4.49Å |
| 190 | G | 50.8 | Low | 67 | Low | 62 Ų | 62 | 73.1 Ų | 73.1 | 64% | 0.639 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -26.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | D188 | D188-G190 PolarHBondContact O-N 3.29Š|
| 191 | S | 49 | Very low | 66.8 | Low | 59 Ų | 59 | 74.3 Ų | 74.3 | 41% | 0.413 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -72 | 135.1 | -175.1 | -176.9 | 0 | 0 | 0 | 0 | 113.5 | L189 V193 S194 | L189-S191 PolarHBondContact O-N 2.9Å; S191-V193 PolarHBondContact O-N 2.89Å; S191-V193 VanDerWaalsContact O-N 3.13Å; S191-S194 PolarHBondContact O-N 2.82Å |
| 192 | P | 48 | Very low | 66.3 | Low | 105 Ų | 105 | 69 Ų | 69 | 68% | 0.682 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -66.6 | -14.7 | -177.3 | 27.4 | -35.8 | 0 | 0 | 0 | 114.5 | ||
| 193 | V | 49.9 | Very low | 66.1 | Low | 117 Ų | 117 | 70.4 Ų | 70.4 | 71% | 0.709 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -74.8 | -27.8 | -176.4 | -174.4 | 0 | 0 | 0 | 0 | 112.7 | S191 R195 T196 | S191-V193 PolarHBondContact O-N 2.89Å; S191-V193 VanDerWaalsContact O-N 3.13Å; V193-R195 PolarHBondContact O-N 2.69Å; V193-T196 PolarHBondContact O-OG1 2.87Å |
| 194 | S | 48.2 | Very low | 66 | Low | 41 Ų | 41 | 65.8 Ų | 65.8 | 29% | 0.287 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -90.8 | 2.8 | -167.4 | -158.3 | 0 | 0 | 0 | 0 | 114.8 | L189 S191 T196 | L189-S194 VanDerWaalsContact CD2-OG 3.25Å; L189-S194 WeakPolarHBondContact CD2-OG 3.42Å; S191-S194 PolarHBondContact O-N 2.82Å; S194-T196 VanDerWaalsContact C-N 3.27Å; S194-T196 PolarHBondContact O-N 2.63Å |
| 195 | R | 49.8 | Very low | 66.1 | Low | 193 Ų | 193 | 66.9 Ų | 66.9 | 73% | 0.728 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | 7.9 | -175.2 | -58.2 | -173.5 | -174.2 | -177.6 | 3.4 | 115 | V193 | V193-R195 PolarHBondContact O-N 2.69Š|
| 196 | T | 51 | Low | 66.3 | Low | 122 Ų | 122 | 65.1 Ų | 65.1 | 75% | 0.748 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.7 | -9.6 | -169.5 | 47.8 | 0 | 0 | 0 | 0 | 114.5 | V193 S194 | V193-T196 PolarHBondContact O-OG1 2.87Å; S194-T196 VanDerWaalsContact C-N 3.27Å; S194-T196 PolarHBondContact O-N 2.63Å |
| 197 | L | 54.9 | Low | 66.9 | Low | 126 Ų | 126 | 66 Ų | 66 | 66% | 0.66 | 39% | 0.389 | S | S | * | . | trans | -112.3 | 126.6 | 178.7 | -72.2 | 166.5 | 0 | 0 | 0 | 109.5 | ||||
| 198 | G | 56.4 | Low | 67.7 | Low | 52 Ų | 52 | 65.1 Ų | 65.1 | 54% | 0.536 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -79.4 | -22 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | P271 R272 | G198-P271 CarbonylContact O-C 3.53Å; G198-P271 VanDerWaalsContact O-O 3.07Å; G198-R272 CarbonylContact O-C 3.55Å; G198-R272 WeakPolarHBondContact O-CA 3.39Å; G198-R272 PolarHBondContact O-N 3.31Å |
| 199 | L | 67 | Low | 68.9 | Low | 94 Ų | 94 | 66.6 Ų | 66.6 | 49% | 0.492 | 38% | 0.38 | S | S | . | . | trans | -122 | 136 | 179.2 | -179.5 | 148.5 | 0 | 0 | 0 | 109 | D201 S270 | L199-D201 HydrophobicContact CD2-CB 4.08Å; L199-S270 WeakPolarHBondContact CA-O 3.4Å | ||
| 200 | L | 76 | Confident | 70.4 | Confident | 27 Ų | 27 | 67.9 Ų | 67.9 | 14% | 0.141 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 125.4 | 178.4 | -177.8 | 65.1 | 0 | 0 | 0 | 108.3 | P187 C202 F268 Q269 S270 P274 | P187-L200 HydrophobicContact CG-CD2 4.19Å; L200-C202 VanDerWaalsContact CD1-SG 3.52Å; L200-F268 HydrophobicContact CD2-CE1 4.06Å; L200-Q269 WeakPolarHBondContact O-CA 3.38Å; L200-S270 PolarHBondContact N-O 3.49Å; L200-S270 PolarHBondContact O-N 2.9Å; L200-P274 HydrophobicContact CD2-CG 4.44Å |
| 201 | D | 81.8 | Confident | 71.9 | Confident | 61 Ų | 61 | 65 Ų | 65 | 33% | 0.326 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 113.6 | 178.8 | -170.8 | -56.1 | 0 | 0 | 0 | 107.7 | C173 L199 H267 Q269 | C173-D201 PolarHBondContact SG-O 2.72Å; L199-D201 HydrophobicContact CD2-CB 4.08Å; D201-H267 IonicContact OD1-CE1 3.14Å; D201-H267 PolarHBondContact OD1-CE1 2.97Å; D201-H267 IonicContact OD1-ND1 2.66Å; D201-H267 IonicContact OD2-CE1 2.69Å; D201-Q269 PolarHBondContact OD2-NE2 2.79Å |
| 202 | C | 83.9 | Confident | 73.8 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 119.7 | -171.7 | -59.8 | 0 | 0 | 0 | 0 | 111.2 | C173 N174 L200 Y204 F268 | C173-C202 HydrophobicContact CB-CB 4.04Å; C173-C202 WeakPolarHBondContact CB-SG 3.45Å; C173-C202 WeakPolarHBondContact SG-CA 3.17Å; C173-C202 WeakPolarHBondContact SG-CB 3.2Å; C173-C202 CovalentContact SG-SG 2.04Å; C173-C202 PolarHBondContact SG-SG 3.37Å; N174-C202 WeakPolarHBondContact OD1-CA 3.25Å; L200-C202 VanDerWaalsContact CD1-SG 3.52Å; C202-Y204 HydrophobicContact CB-CE2 4Å; C202-F268 PolarHBondContact N-O 3.3Å; C202-F268 PolarHBondContact O-N 3.4Å |
| 203 | T | 86.7 | Confident | 75.9 | Confident | 44 Ų | 44 | 62 Ų | 62 | 27% | 0.27 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 104.2 | 177 | -56 | 0 | 0 | 0 | 0 | 109.9 | N174 L265 L266 H267 | N174-T203 WeakPolarHBondContact CA-O 3.19Å; N174-T203 PolarHBondContact OD1-N 3.26Å; T203-L265 HydrophobicContact CG2-CD2 4.08Å; T203-L266 CarbonylContact C-O 3.6Å; T203-L266 WeakPolarHBondContact CA-O 3.22Å; T203-H267 PolarHBondContact OG1-ND1 3.2Å |
| 204 | Y | 89.2 | Confident | 77.9 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 129.4 | 173.9 | -52.2 | -90.8 | 0 | 0 | 0 | 109.4 | V171 L172 N175 V184 E185 P187 C202 L265 L266 F279 | V171-Y204 HydrophobicContact CB-CE1 4.22Å; V171-Y204 HydrophobicContact CG1-CD1 3.83Å; V171-Y204 HydrophobicContact CG1-CE1 3.67Å; L172-Y204 WeakPolarHBondContact O-CE1 3.33Å; N175-Y204 HydrophobicContact CB-CD1 4.26Å; N175-Y204 WeakPolarHBondContact O-CA 3.42Å; V184-Y204 HydrophobicContact CG1-CD1 3.76Å; V184-Y204 HydrophobicContact CG1-CD2 3.85Å; V184-Y204 HydrophobicContact CG1-CE1 4.06Å; V184-Y204 HydrophobicContact CG1-CE2 4.14Å; V184-Y204 HydrophobicContact CG1-CG 3.63Å; E185-Y204 PolarHBondContact O-OH 3.01Å; P187-Y204 WeakPolarHBondContact CD-OH 3.36Å; P187-Y204 VanDerWaalsContact CG-OH 3.31Å; P187-Y204 WeakPolarHBondContact CG-OH 3.44Å; C202-Y204 HydrophobicContact CB-CE2 4Å; Y204-L265 CarbonylContact O-C 3.59Å; Y204-L265 VanDerWaalsContact O-CA 3.31Å; Y204-L265 WeakPolarHBondContact O-CA 3.44Å; Y204-L266 HydrophobicContact CD2-CB 4.34Å; Y204-L266 PolarHBondContact N-O 3.05Å; Y204-L266 PolarHBondContact O-N 3.36Å; Y204-F279 AromaticContact CE2-CZ 3.91Å; Y204-F279 HydrophobicContact CE2-CZ 3.91Å |
| 205 | S | 89.8 | Confident | 80.1 | Confident | 24 Ų | 24 | 55.6 Ų | 55.6 | 17% | 0.168 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 121.4 | 174 | 59.4 | 0 | 0 | 0 | 0 | 110.8 | N175 N176 I177 | N175-S205 PolarHBondContact O-N 3Å; N175-S205 VanDerWaalsContact O-N 3.08Å; N176-S205 CarbonylContact C-O 3.38Å; N176-S205 WeakPolarHBondContact CA-O 3.33Å; N176-S205 WeakPolarHBondContact CA-OG 3.5Å; N176-S205 WeakPolarHBondContact CB-OG 3.32Å; N176-S205 PolarHBondContact OD1-O 2.88Å; N176-S205 VanDerWaalsContact OD1-O 3.12Å; N176-S205 PolarHBondContact OD1-OG 3.4Å; I177-S205 PolarHBondContact N-O 2.82Å |
| 206 | I | 91.3 | Very high | 82.2 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 125.7 | 177.8 | -47.9 | 176 | 0 | 0 | 0 | 108.2 | I177 V184 I214 R263 L264 L266 Y283 | I177-I206 HydrophobicContact CB-CG1 4.48Å; I177-I206 CarbonylContact O-C 3.57Å; I177-I206 WeakPolarHBondContact O-CA 3.34Å; V184-I206 HydrophobicContact CG2-CD1 3.92Å; I206-I214 HydrophobicContact CB-CG1 4.4Å; I206-I214 HydrophobicContact CG2-CG1 3.91Å; I206-I214 HydrophobicContact CG2-CG2 4.35Å; I206-R263 WeakPolarHBondContact O-CA 3.49Å; I206-L264 HydrophobicContact CB-CB 4.48Å; I206-L264 HydrophobicContact CD1-CD2 4.48Å; I206-L264 PolarHBondContact N-O 3.22Å; I206-L264 PolarHBondContact O-N 2.9Å; I206-L266 HydrophobicContact CD1-CD1 4.18Å; I206-Y283 HydrophobicContact CD1-CD1 4.1Å; I206-Y283 HydrophobicContact CD1-CD2 4.37Å; I206-Y283 HydrophobicContact CD1-CG 3.96Å; I206-Y283 HydrophobicContact CG2-CD2 3.78Å; I206-Y283 HydrophobicContact CG2-CE2 3.8Å; I206-Y283 HydrophobicContact CG2-CG 4.41Å |
| 207 | H | 90.3 | Very high | 84.3 | Confident | 49 Ų | 49 | 44.5 Ų | 44.5 | 23% | 0.227 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 105.3 | -172.2 | -68.7 | -2.1 | 0 | 0 | 0 | 110.9 | I177 S178 R263 | I177-H207 PolarHBondContact O-N 3.26Å; S178-H207 WeakPolarHBondContact CA-O 3.5Å; H207-R263 WeakPolarHBondContact ND1-CG 3.22Å |
| 208 | V | 91.1 | Very high | 86.1 | Confident | 10 Ų | 10 | 38.5 Ų | 38.5 | 6% | 0.061 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -98.5 | 172.5 | 179.6 | -60.5 | 0 | 0 | 0 | 0 | 111.8 | Y212 I214 N262 A285 | V208-Y212 WeakPolarHBondContact CG2-O 3.41Å; V208-I214 HydrophobicContact CG1-CD1 4.35Å; V208-I214 HydrophobicContact CG1-CG1 3.9Å; V208-I214 HydrophobicContact CG2-CD1 3.81Å; V208-I214 HydrophobicContact CG2-CG1 4.12Å; V208-N262 HydrophobicContact CG2-CB 4.04Å; V208-N262 PolarHBondContact N-O 2.86Å; V208-N262 PolarHBondContact O-ND2 2.92Å; V208-A285 HydrophobicContact CB-CB 4.36Å; V208-A285 HydrophobicContact CG1-CB 4.07Å |
| 209 | Y | 87.9 | Confident | 87.7 | Confident | 166 Ų | 166 | 39.6 Ų | 39.6 | 65% | 0.651 | 19% | 0.194 | S | C | * | . | P | Polyproline II helix | trans | -58.2 | 144.9 | 179.7 | -59 | -73.4 | 0 | 0 | 0 | 112.4 | Y212 | Y209-Y212 WeakPolarHBondContact O-CB 3.32Å; Y209-Y212 PolarHBondContact O-N 3Å |
| 210 | P | 85.2 | Confident | 88.6 | Confident | 73 Ų | 73 | 38 Ų | 38 | 47% | 0.474 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 140.1 | 173.9 | -25.3 | 35 | 0 | 0 | 0 | 112 | Y212 G333 | P210-Y212 VanDerWaalsContact C-N 3.31Å; P210-G333 WeakPolarHBondContact CA-O 3.23Å |
| 211 | G | 83.4 | Confident | 89.2 | Confident | 3 Ų | 3 | 38.2 Ų | 38.2 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.4 | -7.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | L288 G333 | G211-L288 WeakPolarHBondContact O-CB 3.42Å; G211-L288 PolarHBondContact O-N 3.3Å; G211-G333 PolarHBondContact N-O 2.98Å |
| 212 | Y | 89 | Confident | 89.4 | Confident | 99 Ų | 99 | 40 Ų | 40 | 39% | 0.388 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 151.7 | 169.7 | -66.1 | -101.2 | 0 | 0 | 0 | 110.8 | V208 Y209 P210 N262 A285 Y286 L287 L288 | V208-Y212 WeakPolarHBondContact CG2-O 3.41Å; Y209-Y212 WeakPolarHBondContact O-CB 3.32Å; Y209-Y212 PolarHBondContact O-N 3Å; P210-Y212 VanDerWaalsContact C-N 3.31Å; Y212-N262 WeakPolarHBondContact O-CA 3.32Å; Y212-N262 WeakPolarHBondContact O-CB 3.31Å; Y212-A285 HydrophobicContact CD1-CB 4.23Å; Y212-Y286 CarbonylContact C-O 3.58Å; Y212-Y286 VanDerWaalsContact CA-O 3.22Å; Y212-Y286 WeakPolarHBondContact CA-O 3.41Å; Y212-Y286 WeakPolarHBondContact CB-O 3.34Å; Y212-L287 HydrophobicContact CD1-CD1 4.15Å; Y212-L287 HydrophobicContact CD2-CD1 4.38Å; Y212-L287 HydrophobicContact CE1-CB 4.4Å; Y212-L287 HydrophobicContact CE1-CD1 3.76Å; Y212-L287 HydrophobicContact CE2-CD1 4Å; Y212-L287 HydrophobicContact CG-CD1 4.44Å; Y212-L288 VanDerWaalsContact C-CD1 3.46Å; Y212-L288 VanDerWaalsContact O-CD1 3.3Å; Y212-L288 WeakPolarHBondContact O-CD1 3.42Å |
| 213 | G | 90.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 172.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | A285 Y286 | G213-A285 CarbonylContact O-C 3.56Å; G213-A285 WeakPolarHBondContact O-CA 3.45Å; G213-Y286 VanDerWaalsContact C-CD1 3.49Å; G213-Y286 PolarHBondContact N-O 2.77Å; G213-Y286 WeakPolarHBondContact O-CD1 3.32Å; G213-Y286 PolarHBondContact O-N 3.35Å |
| 214 | I | 93.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 117.4 | 177.6 | -55.9 | 83.9 | 0 | 0 | 0 | 108.1 | I206 V208 I216 S259 N262 L264 Y283 | I206-I214 HydrophobicContact CB-CG1 4.4Å; I206-I214 HydrophobicContact CG2-CG1 3.91Å; I206-I214 HydrophobicContact CG2-CG2 4.35Å; V208-I214 HydrophobicContact CG1-CD1 4.35Å; V208-I214 HydrophobicContact CG1-CG1 3.9Å; V208-I214 HydrophobicContact CG2-CD1 3.81Å; V208-I214 HydrophobicContact CG2-CG1 4.12Å; I214-I216 HydrophobicContact CG2-CG2 3.87Å; I214-S259 PolarHBondContact N-OG 3.44Å; I214-S259 PolarHBondContact O-N 2.82Å; I214-S259 PolarHBondContact O-OG 3.42Å; I214-N262 VanDerWaalsContact CD1-C 3.44Å; I214-L264 HydrophobicContact CB-CB 4.19Å; I214-L264 HydrophobicContact CB-CD2 4.37Å; I214-L264 HydrophobicContact CD1-CB 4.05Å; I214-L264 HydrophobicContact CG1-CB 4.24Å; I214-L264 HydrophobicContact CG2-CD2 4.1Å; I214-Y283 HydrophobicContact CG2-CD2 4.26Å; I214-Y283 HydrophobicContact CG2-CG 4.49Å |
| 215 | E | 94.3 | Very high | 88.1 | Confident | 24 Ų | 24 | 52.8 Ų | 52.8 | 11% | 0.112 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 132.7 | 160.4 | -175.9 | 172.8 | 73.9 | 0 | 0 | 107.6 | V256 L257 R258 Y283 Q284 Y286 | E215-V256 HydrophobicContact CG-CG1 3.57Å; E215-L257 CarbonylContact C-O 3.35Å; E215-L257 WeakPolarHBondContact CA-O 3.43Å; E215-R258 HydrophobicContact CB-CG 4.13Å; E215-R258 HydrophobicContact CG-CG 3.99Å; E215-R258 IonicContact OE2-CZ 3.07Å; E215-R258 IonicContact OE2-NE 3.95Å; E215-R258 PolarHBondContact OE2-NE 2.82Å; E215-R258 IonicContact OE2-NH2 2.9Å; E215-R258 PolarHBondContact OE2-NH2 3.26Å; E215-Y283 CarbonylContact O-C 3.46Å; E215-Y283 VanDerWaalsContact O-CA 3.27Å; E215-Y283 WeakPolarHBondContact O-CA 3.41Å; E215-Q284 HydrophobicContact CB-CG 4.1Å; E215-Q284 PolarHBondContact N-O 3.21Å; E215-Q284 PolarHBondContact O-N 3.05Å; E215-Q284 PolarHBondContact OE1-NE2 3.25Å; E215-Y286 HydrophobicContact CB-CD1 3.99Å |
| 216 | I | 94.5 | Very high | 87.4 | Confident | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 141.1 | 170.7 | 61.4 | 167.7 | 0 | 0 | 0 | 110.2 | I214 V231 V256 L257 L264 L266 I281 H282 | I214-I216 HydrophobicContact CG2-CG2 3.87Å; I216-V231 HydrophobicContact CD1-CG1 3.81Å; I216-V231 HydrophobicContact CD1-CG2 4.06Å; I216-V256 CarbonylContact O-C 3.59Å; I216-V256 VanDerWaalsContact O-CA 3.29Å; I216-V256 WeakPolarHBondContact O-CA 3.06Å; I216-L257 HydrophobicContact CD1-CB 4.28Å; I216-L257 HydrophobicContact CD1-CD1 4.33Å; I216-L257 HydrophobicContact CG1-CB 3.84Å; I216-L257 PolarHBondContact N-O 2.88Å; I216-L257 PolarHBondContact O-N 2.83Å; I216-L264 HydrophobicContact CD1-CD2 4.28Å; I216-L264 HydrophobicContact CG2-CD2 3.46Å; I216-L264 VanDerWaalsContact CG2-CD2 3.46Å; I216-L266 HydrophobicContact CD1-CD2 4.3Å; I216-I281 HydrophobicContact CB-CG2 3.69Å; I216-I281 HydrophobicContact CD1-CG2 4.39Å; I216-I281 HydrophobicContact CG2-CG2 3.98Å; I216-H282 CarbonylContact C-O 3.59Å; I216-H282 WeakPolarHBondContact CA-O 3.34Å |
| 217 | Q | 94.4 | Very high | 87 | Confident | 80 Ų | 80 | 56.8 Ų | 56.8 | 37% | 0.374 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 119.5 | 169.4 | -174.5 | 176 | 21.8 | 0 | 0 | 109.3 | Q219 Q255 V256 I281 H282 | Q217-Q219 PolarHBondContact O-N 2.85Å; Q217-Q255 WeakPolarHBondContact CA-O 3.43Å; Q217-V256 HydrophobicContact CB-CG2 4.28Å; Q217-V256 HydrophobicContact CG-CG2 4.02Å; Q217-I281 WeakPolarHBondContact O-CA 3.25Å; Q217-H282 PolarHBondContact N-O 3.21Å; Q217-H282 PolarHBondContact O-N 2.94Å |
| 218 | V | 92.9 | Very high | 86.8 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 114 | 174.5 | -178.2 | 0 | 0 | 0 | 0 | 108.4 | L221 L251 G252 G254 Q255 I281 | V218-L221 HydrophobicContact CG1-CB 3.75Å; V218-L221 HydrophobicContact CG1-CD2 4.44Å; V218-L221 HydrophobicContact CG1-CG 4.48Å; V218-L251 HydrophobicContact CG2-CD2 4Å; V218-G252 VanDerWaalsContact CB-O 3.32Å; V218-G252 WeakPolarHBondContact CB-O 3.34Å; V218-G252 WeakPolarHBondContact CG1-O 3.41Å; V218-G254 WeakPolarHBondContact O-CA 3.41Å; V218-G254 PolarHBondContact O-N 2.97Å; V218-Q255 HydrophobicContact CG2-CB 4.34Å; V218-Q255 PolarHBondContact N-O 2.92Å; V218-I281 HydrophobicContact CG2-CG1 4.43Å |
| 219 | Q | 89.6 | Confident | 86.7 | Confident | 75 Ų | 75 | 58 Ų | 58 | 35% | 0.35 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | -44.9 | 178.8 | -67.8 | -164.9 | -23.8 | 0 | 0 | 112.2 | Q217 R280 H282 | Q217-Q219 PolarHBondContact O-N 2.85Å; Q219-R280 HydrophobicContact CB-CG 4.26Å; Q219-R280 PolarHBondContact N-O 2.88Å; Q219-R280 VanDerWaalsContact OE1-CD 3.32Å; Q219-H282 HydrophobicContact CG-CB 4.22Å |
| 220 | T | 86.4 | Confident | 86.8 | Confident | 59 Ų | 59 | 51.7 Ų | 51.7 | 36% | 0.362 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 139.8 | 173 | 61.3 | 0 | 0 | 0 | 0 | 110.6 | E253 F279 R280 | T220-E253 WeakPolarHBondContact CA-OE1 3.44Å; T220-F279 CarbonylContact O-C 3.43Å; T220-F279 VanDerWaalsContact O-CA 3.28Å; T220-F279 WeakPolarHBondContact O-CA 3.47Å; T220-R280 PolarHBondContact N-O 3.21Å; T220-R280 PolarHBondContact O-N 2.88Å; T220-R280 WeakPolarHBondContact OG1-CB 3.48Å; T220-R280 PolarHBondContact OG1-N 2.88Å |
| 221 | L | 88.3 | Confident | 87.1 | Confident | 32 Ų | 32 | 48.2 Ų | 48.2 | 17% | 0.168 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 97.5 | -177.9 | -172.2 | 73.8 | 0 | 0 | 0 | 111.3 | V218 L223 L229 L251 E253 F279 | V218-L221 HydrophobicContact CG1-CB 3.75Å; V218-L221 HydrophobicContact CG1-CD2 4.44Å; V218-L221 HydrophobicContact CG1-CG 4.48Å; L221-L223 HydrophobicContact CD1-CD1 3.88Å; L221-L223 HydrophobicContact CD1-CD2 4.48Å; L221-L223 HydrophobicContact CD1-CG 3.89Å; L221-L223 HydrophobicContact CG-CG 4.37Å; L221-L229 HydrophobicContact CD1-CD2 3.97Å; L221-L251 VanDerWaalsContact CD2-C 3.45Å; L221-L251 HydrophobicContact CD2-CB 3.56Å; L221-L251 WeakPolarHBondContact CD2-O 3.04Å; L221-E253 HydrophobicContact CB-CG 4.16Å; L221-E253 PolarHBondContact N-OE1 3.11Å; L221-F279 HydrophobicContact CD1-CB 4.02Å |
| 222 | N | 84.7 | Confident | 87.3 | Confident | 99 Ų | 99 | 49.3 Ų | 49.3 | 53% | 0.529 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 76.4 | 180 | -177.5 | 21.2 | 0 | 0 | 0 | 109.6 | G276 G277 G278 | N222-G276 PolarHBondContact ND2-O 3.36Å; N222-G277 CarbonylContact O-C 3.58Å; N222-G277 VanDerWaalsContact O-C 3.31Å; N222-G277 WeakPolarHBondContact O-CA 3.36Å; N222-G278 PolarHBondContact N-O 3.17Å; N222-G278 PolarHBondContact O-N 3.12Å |
| 223 | L | 82.3 | Confident | 87.1 | Confident | 39 Ų | 39 | 45 Ų | 45 | 20% | 0.204 | 23% | 0.229 | C | C | . | . | trans | -97.6 | 143.5 | 179.3 | -56.3 | -176.9 | 0 | 0 | 0 | 110.9 | L221 E227 L229 F268 F279 | L221-L223 HydrophobicContact CD1-CD1 3.88Å; L221-L223 HydrophobicContact CD1-CD2 4.48Å; L221-L223 HydrophobicContact CD1-CG 3.89Å; L221-L223 HydrophobicContact CG-CG 4.37Å; L223-E227 HydrophobicContact CB-CB 4.24Å; L223-L229 HydrophobicContact CD1-CB 3.69Å; L223-L229 HydrophobicContact CD1-CD2 4.35Å; L223-F268 HydrophobicContact CD2-CE2 3.95Å; L223-F279 HydrophobicContact CD2-CD1 4.43Å | ||
| 224 | S | 78.6 | Confident | 86.2 | Confident | 64 Ų | 64 | 45.4 Ų | 45.4 | 45% | 0.448 | 23% | 0.234 | S | C | . | . | trans | -79.9 | 166.2 | 171.6 | 69.5 | 0 | 0 | 0 | 0 | 112.5 | E226 E227 | S224-E226 PolarHBondContact O-N 3.47Å; S224-E226 VanDerWaalsContact O-N 3.08Å; S224-E227 VanDerWaalsContact CB-OE2 3.25Å; S224-E227 WeakPolarHBondContact CB-OE2 3.33Å; S224-E227 PolarHBondContact N-OE2 3.09Å; S224-E227 PolarHBondContact O-N 2.04Å; S224-E227 VanDerWaalsContact OG-CD 3.26Å; S224-E227 WeakPolarHBondContact OG-CG 2.93Å; S224-E227 PolarHBondContact OG-OE2 3.01Å | ||
| 225 | Q | 72.2 | Confident | 84.7 | Confident | 210 Ų | 210 | 46.4 Ų | 46.4 | 98% | 0.981 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -9.6 | -179.8 | -69.5 | -175.4 | -21.1 | 0 | 0 | 114.8 | ||
| 226 | E | 75.3 | Confident | 82.9 | Confident | 93 Ų | 93 | 47.8 Ų | 47.8 | 44% | 0.435 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 2.9 | 175.5 | -64.1 | -179.1 | -143.2 | 0 | 0 | 112.1 | S224 P271 R272 | S224-E226 PolarHBondContact O-N 3.47Å; S224-E226 VanDerWaalsContact O-N 3.08Å; E226-P271 HydrophobicContact CB-CG 3.85Å; E226-P271 WeakPolarHBondContact O-CD 3.2Å; E226-P271 WeakPolarHBondContact O-CG 3.43Å; E226-R272 IonicContact OE1-CZ 3.01Å; E226-R272 IonicContact OE1-NE 3.74Å; E226-R272 IonicContact OE1-NH1 3.26Å; E226-R272 PolarHBondContact OE1-NH1 2.83Å; E226-R272 IonicContact OE1-NH2 2.74Å; E226-R272 PolarHBondContact OE1-NH2 2.8Å; E226-R272 IonicContact OE2-CZ 2.94Å; E226-R272 IonicContact OE2-NE 2.88Å; E226-R272 PolarHBondContact OE2-NE 3.04Å; E226-R272 IonicContact OE2-NH1 3.85Å; E226-R272 IonicContact OE2-NH2 3.9Å; E226-R272 PolarHBondContact OE2-NH2 2.93Å |
| 227 | E | 82.6 | Confident | 80.7 | Confident | 14 Ų | 14 | 51.8 Ų | 51.8 | 7% | 0.065 | 29% | 0.293 | C | S | . | . | trans | -107.5 | 133.6 | -176.9 | -79.8 | 168.5 | 140 | 0 | 0 | 112 | L223 S224 F268 S270 P274 | L223-E227 HydrophobicContact CB-CB 4.24Å; S224-E227 VanDerWaalsContact CB-OE2 3.25Å; S224-E227 WeakPolarHBondContact CB-OE2 3.33Å; S224-E227 PolarHBondContact N-OE2 3.09Å; S224-E227 PolarHBondContact O-N 2.04Å; S224-E227 VanDerWaalsContact OG-CD 3.26Å; S224-E227 WeakPolarHBondContact OG-CG 2.93Å; S224-E227 PolarHBondContact OG-OE2 3.01Å; E227-F268 HydrophobicContact CB-CE2 4.26Å; E227-F268 HydrophobicContact CG-CE2 4.37Å; E227-F268 HydrophobicContact CG-CZ 4.44Å; E227-S270 WeakPolarHBondContact CG-OG 3.33Å; E227-S270 WeakPolarHBondContact OE1-CB 3.45Å; E227-S270 PolarHBondContact OE1-OG 3.08Å; E227-P274 WeakPolarHBondContact OE1-CG 3.29Å | ||
| 228 | E | 85.9 | Confident | 78.4 | Confident | 86 Ų | 86 | 54.8 Ų | 54.8 | 40% | 0.402 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 138.4 | -180 | -171.4 | 165.5 | -142.1 | 0 | 0 | 111.2 | L230 F268 Q269 | E228-L230 HydrophobicContact CG-CD2 3.87Å; E228-L230 HydrophobicContact CG-CG 4.02Å; E228-F268 WeakPolarHBondContact O-CA 3.33Å; E228-F268 WeakPolarHBondContact O-CD2 3.43Å; E228-Q269 PolarHBondContact N-O 2.98Å; E228-Q269 PolarHBondContact O-N 2.87Å |
| 229 | L | 88.8 | Confident | 76.6 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 117.6 | 174.3 | 178.4 | 62.6 | 0 | 0 | 0 | 108.5 | L221 L223 N247 S248 L251 H267 F268 F279 I281 | L221-L229 HydrophobicContact CD1-CD2 3.97Å; L223-L229 HydrophobicContact CD1-CB 3.69Å; L223-L229 HydrophobicContact CD1-CD2 4.35Å; L229-N247 CarbonylContact O-C 3.46Å; L229-S248 PolarHBondContact O-N 2.85Å; L229-L251 HydrophobicContact CB-CD1 4.49Å; L229-L251 HydrophobicContact CD2-CD1 3.91Å; L229-L251 HydrophobicContact CG-CD1 4.05Å; L229-H267 CarbonylContact C-O 3.55Å; L229-H267 WeakPolarHBondContact CA-O 3.46Å; L229-F268 HydrophobicContact CB-CD2 4.48Å; L229-F268 HydrophobicContact CD1-CB 4.04Å; L229-F279 HydrophobicContact CD1-CE1 4.18Å; L229-F279 HydrophobicContact CD1-CZ 4.27Å; L229-F279 HydrophobicContact CD2-CB 4.38Å; L229-F279 HydrophobicContact CD2-CD1 4.15Å; L229-F279 HydrophobicContact CD2-CD2 4.45Å; L229-F279 HydrophobicContact CD2-CG 4.08Å; L229-I281 HydrophobicContact CD2-CD1 4.19Å |
| 230 | L | 90.3 | Very high | 75.2 | Confident | 32 Ų | 32 | 61.1 Ų | 61.1 | 17% | 0.168 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 131.1 | -179.2 | -57.8 | -178.5 | 0 | 0 | 0 | 110.7 | E228 L232 L244 N247 L266 H267 | E228-L230 HydrophobicContact CG-CD2 3.87Å; E228-L230 HydrophobicContact CG-CG 4.02Å; L230-L232 HydrophobicContact CB-CG 4.27Å; L230-L244 HydrophobicContact CB-CD1 4.18Å; L230-L244 HydrophobicContact CD2-CD1 4.04Å; L230-N247 HydrophobicContact CD2-CB 3.77Å; L230-L266 WeakPolarHBondContact O-CA 3.42Å; L230-H267 HydrophobicContact CB-CB 4.41Å; L230-H267 PolarHBondContact N-O 3.46Å; L230-H267 PolarHBondContact O-N 2.84Å |
| 231 | V | 91.3 | Very high | 74.1 | Confident | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.006 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 114.3 | 175.2 | -177.7 | 0 | 0 | 0 | 0 | 108.1 | I216 L245 A246 L251 L257 L264 L266 | I216-V231 HydrophobicContact CD1-CG1 3.81Å; I216-V231 HydrophobicContact CD1-CG2 4.06Å; V231-L245 HydrophobicContact CB-CB 4.48Å; V231-L245 HydrophobicContact CG1-CB 4.13Å; V231-L245 HydrophobicContact CG1-CD1 4.26Å; V231-L245 PolarHBondContact O-N 3.29Å; V231-A246 HydrophobicContact CB-CB 4.26Å; V231-A246 HydrophobicContact CG2-CB 4.41Å; V231-A246 PolarHBondContact N-O 3.27Å; V231-A246 PolarHBondContact O-N 2.78Å; V231-L251 HydrophobicContact CG2-CD1 3.98Å; V231-L251 HydrophobicContact CG2-CD2 4.06Å; V231-L257 HydrophobicContact CG1-CD1 4.4Å; V231-L257 HydrophobicContact CG2-CD1 4.47Å; V231-L264 HydrophobicContact CG1-CD1 3.73Å; V231-L264 HydrophobicContact CG1-CD2 4.43Å; V231-L266 HydrophobicContact CB-CD2 4.32Å; V231-L266 HydrophobicContact CG1-CD2 4.15Å; V231-L266 HydrophobicContact CG2-CD2 3.87Å |
| 232 | L | 89.1 | Confident | 73.6 | Confident | 26 Ų | 26 | 64.2 Ų | 64.2 | 14% | 0.136 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 122.2 | -166.4 | -67.1 | 173 | 0 | 0 | 0 | 110.9 | L230 P242 R243 L244 L264 L265 H267 | L230-L232 HydrophobicContact CB-CG 4.27Å; L232-P242 HydrophobicContact CB-CB 4.23Å; L232-P242 HydrophobicContact CD1-CG 4.5Å; L232-R243 CarbonylContact C-O 3.59Å; L232-R243 WeakPolarHBondContact CA-O 3.29Å; L232-L244 HydrophobicContact CD2-CB 4.32Å; L232-L244 HydrophobicContact CD2-CD1 3.89Å; L232-L264 WeakPolarHBondContact O-CD1 3.11Å; L232-L265 HydrophobicContact CB-CB 3.98Å; L232-L265 PolarHBondContact N-O 2.97Å; L232-L265 PolarHBondContact O-N 2.85Å; L232-H267 HydrophobicContact CD1-CB 4.18Å |
| 233 | A | 84.5 | Confident | 73.6 | Confident | 7 Ų | 7 | 67.2 Ų | 67.2 | 6% | 0.058 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 123.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | P242 R243 L245 P260 | A233-P242 CarbonylContact O-C 3.54Å; A233-P242 VanDerWaalsContact O-CA 3.29Å; A233-P242 WeakPolarHBondContact O-CA 3.27Å; A233-P242 WeakPolarHBondContact O-CB 3.07Å; A233-R243 HydrophobicContact CB-CB 4.41Å; A233-R243 PolarHBondContact N-O 2.69Å; A233-R243 PolarHBondContact O-N 2.74Å; A233-L245 HydrophobicContact CB-CD1 4.07Å; A233-L245 HydrophobicContact CB-CD2 4.03Å; A233-L245 HydrophobicContact CB-CG 4.06Å; A233-P260 HydrophobicContact CB-CG 4.06Å |
| 234 | G | 71.8 | Confident | 73.8 | Confident | 10 Ų | 10 | 69.8 Ų | 69.8 | 10% | 0.103 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 161.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112 | T261 R263 | G234-T261 WeakPolarHBondContact O-CB 3.42Å; G234-T261 WeakPolarHBondContact O-CG2 3.33Å; G234-T261 PolarHBondContact O-OG1 3.13Å; G234-R263 PolarHBondContact N-O 3.32Å |
| 235 | G | 61.3 | Low | 74.3 | Confident | 20 Ų | 20 | 68.7 Ų | 68.7 | 21% | 0.206 | 41% | 0.412 | C | S | . | . | trans | 95.9 | 33.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | T334 | G235-T334 PolarHBondContact O-OG1 3.38Š| ||
| 236 | G | 55.6 | Low | 75 | Confident | 54 Ų | 54 | 58.7 Ų | 58.7 | 56% | 0.557 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -70.5 | -178.9 | 147.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 237 | S | 49 | Very low | 75.7 | Confident | 86 Ų | 86 | 56.3 Ų | 56.3 | 60% | 0.601 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -53.5 | 147.2 | 178.6 | -51.3 | 0 | 0 | 0 | 0 | 112.5 | G239 L240 | S237-G239 PolarHBondContact O-N 2.66Å; S237-L240 PolarHBondContact O-N 2.75Å |
| 238 | P | 45.2 | Very low | 75.7 | Confident | 142 Ų | 142 | 57.5 Ų | 57.5 | 92% | 0.922 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 109.4 | -174 | 23.9 | -34.4 | 0 | 0 | 0 | 111.6 | ||
| 239 | G | 55.1 | Low | 75.6 | Confident | 84 Ų | 84 | 58.2 Ų | 58.2 | 87% | 0.866 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 129.5 | -20.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | S237 | S237-G239 PolarHBondContact O-N 2.66Š|
| 240 | L | 60.4 | Low | 75.3 | Confident | 126 Ų | 126 | 64 Ų | 64 | 66% | 0.66 | 41% | 0.408 | S | S | * | . | P | Polyproline II helix | trans | -76.2 | 135.2 | 175.5 | -81.4 | 141.1 | 0 | 0 | 0 | 112.3 | S237 | S237-L240 PolarHBondContact O-N 2.75Š|
| 241 | A | 65.1 | Low | 75 | Confident | 89 Ų | 89 | 63.2 Ų | 63.2 | 74% | 0.736 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 150.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 242 | P | 76.1 | Confident | 74.8 | Confident | 67 Ų | 67 | 64.5 Ų | 64.5 | 44% | 0.435 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 139.4 | 178.1 | 28.3 | -35 | 0 | 0 | 0 | 111.7 | L232 A233 | L232-P242 HydrophobicContact CB-CB 4.23Å; L232-P242 HydrophobicContact CD1-CG 4.5Å; A233-P242 CarbonylContact O-C 3.54Å; A233-P242 VanDerWaalsContact O-CA 3.29Å; A233-P242 WeakPolarHBondContact O-CA 3.27Å; A233-P242 WeakPolarHBondContact O-CB 3.07Å |
| 243 | R | 84.4 | Confident | 74.8 | Confident | 162 Ų | 162 | 69.4 Ų | 69.4 | 61% | 0.611 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 127.2 | -178.3 | 172.6 | 177.9 | 173.1 | -179 | -1.1 | 110.6 | L232 A233 L245 | L232-R243 CarbonylContact C-O 3.59Å; L232-R243 WeakPolarHBondContact CA-O 3.29Å; A233-R243 HydrophobicContact CB-CB 4.41Å; A233-R243 PolarHBondContact N-O 2.69Å; A233-R243 PolarHBondContact O-N 2.74Å; R243-L245 PolarHBondContact O-N 2.72Å |
| 244 | L | 87.7 | Confident | 75 | Confident | 92 Ų | 92 | 71.2 Ų | 71.2 | 48% | 0.482 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 129.2 | 170.7 | -171.3 | 66.5 | 0 | 0 | 0 | 111.1 | L230 L232 A246 | L230-L244 HydrophobicContact CB-CD1 4.18Å; L230-L244 HydrophobicContact CD2-CD1 4.04Å; L232-L244 HydrophobicContact CD2-CB 4.32Å; L232-L244 HydrophobicContact CD2-CD1 3.89Å; L244-A246 VanDerWaalsContact CD1-O 3.31Å; L244-A246 WeakPolarHBondContact CD1-O 3.1Å |
| 245 | L | 88.3 | Confident | 75.9 | Confident | 41 Ų | 41 | 74.6 Ų | 74.6 | 22% | 0.215 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | -41.3 | 172.7 | -58.8 | -176.4 | 0 | 0 | 0 | 111.5 | V231 A233 R243 P260 L264 | V231-L245 HydrophobicContact CB-CB 4.48Å; V231-L245 HydrophobicContact CG1-CB 4.13Å; V231-L245 HydrophobicContact CG1-CD1 4.26Å; V231-L245 PolarHBondContact O-N 3.29Å; A233-L245 HydrophobicContact CB-CD1 4.07Å; A233-L245 HydrophobicContact CB-CD2 4.03Å; A233-L245 HydrophobicContact CB-CG 4.06Å; R243-L245 PolarHBondContact O-N 2.72Å; L245-P260 HydrophobicContact CD2-CG 4.41Å; L245-L264 HydrophobicContact CD1-CD1 3.93Å |
| 246 | A | 88.4 | Confident | 77.4 | Confident | 1 Ų | 1 | 76.3 Ų | 76.3 | 1% | 0.008 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 151.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | V231 L244 M250 L251 L257 | V231-A246 HydrophobicContact CB-CB 4.26Å; V231-A246 HydrophobicContact CG2-CB 4.41Å; V231-A246 PolarHBondContact N-O 3.27Å; V231-A246 PolarHBondContact O-N 2.78Å; L244-A246 VanDerWaalsContact CD1-O 3.31Å; L244-A246 WeakPolarHBondContact CD1-O 3.1Å; A246-M250 HydrophobicContact CB-CB 4.05Å; A246-L251 HydrophobicContact CB-CD2 4.02Å; A246-L251 HydrophobicContact CB-CG 4.24Å; A246-L257 HydrophobicContact CB-CD1 3.51Å |
| 247 | N | 88.1 | Confident | 79.1 | Confident | 42 Ų | 42 | 75.6 Ų | 75.6 | 23% | 0.225 | 46% | 0.462 | C | S | . | . | trans | -110.4 | 179.1 | 168.9 | 70.8 | -3.9 | 0 | 0 | 0 | 110.6 | L229 L230 S249 M250 L251 | L229-N247 CarbonylContact O-C 3.46Å; L230-N247 HydrophobicContact CD2-CB 3.77Å; N247-S249 VanDerWaalsContact CG-OG 3.31Å; N247-S249 PolarHBondContact ND2-OG 2.96Å; N247-S249 VanDerWaalsContact ND2-OG 3.13Å; N247-S249 PolarHBondContact O-N 2.83Å; N247-S249 VanDerWaalsContact O-N 3.14Å; N247-S249 PolarHBondContact OD1-N 2.87Å; N247-S249 PolarHBondContact OD1-OG 3.48Å; N247-M250 PolarHBondContact O-N 3.35Å; N247-M250 WeakPolarHBondContact OD1-CG 3.38Å; N247-M250 PolarHBondContact OD1-N 2.85Å; N247-M250 VanDerWaalsContact OD1-N 3.11Å; N247-L251 WeakPolarHBondContact O-CG 3.41Å; N247-L251 PolarHBondContact O-N 3.08Å | ||
| 248 | S | 83.5 | Confident | 81.2 | Confident | 40 Ų | 40 | 78.5 Ų | 78.5 | 28% | 0.28 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -56.4 | -29.7 | 180 | 53 | 0 | 0 | 0 | 0 | 114.4 | L229 | L229-S248 PolarHBondContact O-N 2.85Š|
| 249 | S | 83 | Confident | 83.3 | Confident | 101 Ų | 101 | 71.8 Ų | 71.8 | 71% | 0.706 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -79.4 | -14.5 | 176.3 | 62.1 | 0 | 0 | 0 | 0 | 115 | N247 | N247-S249 VanDerWaalsContact CG-OG 3.31Å; N247-S249 PolarHBondContact ND2-OG 2.96Å; N247-S249 VanDerWaalsContact ND2-OG 3.13Å; N247-S249 PolarHBondContact O-N 2.83Å; N247-S249 VanDerWaalsContact O-N 3.14Å; N247-S249 PolarHBondContact OD1-N 2.87Å; N247-S249 PolarHBondContact OD1-OG 3.48Å |
| 250 | M | 83 | Confident | 84.8 | Confident | 120 Ų | 120 | 69.7 Ų | 69.7 | 59% | 0.591 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -101.1 | -0.8 | 177.4 | -67.8 | 175.5 | 70.6 | 0 | 0 | 112.8 | A246 N247 | A246-M250 HydrophobicContact CB-CB 4.05Å; N247-M250 PolarHBondContact O-N 3.35Å; N247-M250 WeakPolarHBondContact OD1-CG 3.38Å; N247-M250 PolarHBondContact OD1-N 2.85Å; N247-M250 VanDerWaalsContact OD1-N 3.11Å |
| 251 | L | 85.3 | Confident | 86.2 | Confident | 16 Ų | 16 | 64.2 Ų | 64.2 | 8% | 0.084 | 36% | 0.359 | C | S | . | . | trans | -103.1 | 143.3 | 178.2 | -64.3 | 167.8 | 0 | 0 | 0 | 109.9 | V218 L221 L229 V231 A246 N247 L257 | V218-L251 HydrophobicContact CG2-CD2 4Å; L221-L251 VanDerWaalsContact CD2-C 3.45Å; L221-L251 HydrophobicContact CD2-CB 3.56Å; L221-L251 WeakPolarHBondContact CD2-O 3.04Å; L229-L251 HydrophobicContact CB-CD1 4.49Å; L229-L251 HydrophobicContact CD2-CD1 3.91Å; L229-L251 HydrophobicContact CG-CD1 4.05Å; V231-L251 HydrophobicContact CG2-CD1 3.98Å; V231-L251 HydrophobicContact CG2-CD2 4.06Å; A246-L251 HydrophobicContact CB-CD2 4.02Å; A246-L251 HydrophobicContact CB-CG 4.24Å; N247-L251 WeakPolarHBondContact O-CG 3.41Å; N247-L251 PolarHBondContact O-N 3.08Å; L251-L257 HydrophobicContact CD2-CD1 3.6Å | ||
| 252 | G | 87.1 | Confident | 87.3 | Confident | 29 Ų | 29 | 60.5 Ų | 60.5 | 30% | 0.299 | 33% | 0.327 | S | S | . | . | trans | -157.3 | 162.3 | 176 | 0 | 0 | 0 | 0 | 0 | 110.2 | V218 G254 Q255 | V218-G252 VanDerWaalsContact CB-O 3.32Å; V218-G252 WeakPolarHBondContact CB-O 3.34Å; V218-G252 WeakPolarHBondContact CG1-O 3.41Å; G252-G254 PolarHBondContact O-N 3.21Å; G252-Q255 WeakPolarHBondContact O-CB 3.39Å; G252-Q255 PolarHBondContact O-N 3.04Å | ||
| 253 | E | 88.5 | Confident | 87.9 | Confident | 128 Ų | 128 | 62.5 Ų | 62.5 | 60% | 0.598 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 132.9 | -179.4 | -59 | -171.1 | 156.4 | 0 | 0 | 110.9 | T220 L221 Q255 | T220-E253 WeakPolarHBondContact CA-OE1 3.44Å; L221-E253 HydrophobicContact CB-CG 4.16Å; L221-E253 PolarHBondContact N-OE1 3.11Å; E253-Q255 VanDerWaalsContact C-N 3.31Å |
| 254 | G | 87.5 | Confident | 88.3 | Confident | 45 Ų | 45 | 54.9 Ų | 54.9 | 46% | 0.464 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | -7.8 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | V218 G252 V256 | V218-G254 WeakPolarHBondContact O-CA 3.41Å; V218-G254 PolarHBondContact O-N 2.97Å; G252-G254 PolarHBondContact O-N 3.21Å; G254-V256 PolarHBondContact O-N 3.14Å |
| 255 | Q | 90.9 | Very high | 88.4 | Confident | 82 Ų | 82 | 52.4 Ų | 52.4 | 38% | 0.383 | 29% | 0.285 | S | S | . | . | trans | -64.7 | 131.7 | 178.1 | -175.9 | 59.3 | 50 | 0 | 0 | 111.1 | Q217 V218 G252 E253 L257 | Q217-Q255 WeakPolarHBondContact CA-O 3.43Å; V218-Q255 HydrophobicContact CG2-CB 4.34Å; V218-Q255 PolarHBondContact N-O 2.92Å; G252-Q255 WeakPolarHBondContact O-CB 3.39Å; G252-Q255 PolarHBondContact O-N 3.04Å; E253-Q255 VanDerWaalsContact C-N 3.31Å; Q255-L257 HydrophobicContact CG-CG 4.36Å | ||
| 256 | V | 92.8 | Very high | 88.5 | Confident | 56 Ų | 56 | 50.5 Ų | 50.5 | 34% | 0.339 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 137.6 | 174.3 | -179.6 | 0 | 0 | 0 | 0 | 109.7 | E215 I216 Q217 G254 | E215-V256 HydrophobicContact CG-CG1 3.57Å; I216-V256 CarbonylContact O-C 3.59Å; I216-V256 VanDerWaalsContact O-CA 3.29Å; I216-V256 WeakPolarHBondContact O-CA 3.06Å; Q217-V256 HydrophobicContact CB-CG2 4.28Å; Q217-V256 HydrophobicContact CG-CG2 4.02Å; G254-V256 PolarHBondContact O-N 3.14Å |
| 257 | L | 92.6 | Very high | 88.6 | Confident | 39 Ų | 39 | 52.4 Ų | 52.4 | 20% | 0.204 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 147.2 | 174.5 | -63.9 | 171.1 | 0 | 0 | 0 | 109.9 | E215 I216 V231 A246 L251 Q255 | E215-L257 CarbonylContact C-O 3.35Å; E215-L257 WeakPolarHBondContact CA-O 3.43Å; I216-L257 HydrophobicContact CD1-CB 4.28Å; I216-L257 HydrophobicContact CD1-CD1 4.33Å; I216-L257 HydrophobicContact CG1-CB 3.84Å; I216-L257 PolarHBondContact N-O 2.88Å; I216-L257 PolarHBondContact O-N 2.83Å; V231-L257 HydrophobicContact CG1-CD1 4.4Å; V231-L257 HydrophobicContact CG2-CD1 4.47Å; A246-L257 HydrophobicContact CB-CD1 3.51Å; L251-L257 HydrophobicContact CD2-CD1 3.6Å; Q255-L257 HydrophobicContact CG-CG 4.36Å |
| 258 | R | 92 | Very high | 88.6 | Confident | 147 Ų | 147 | 50.5 Ų | 50.5 | 56% | 0.555 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120 | 129.2 | 179.5 | -72.2 | -177.9 | -179.3 | -170.3 | -7.1 | 110.7 | E215 Y286 | E215-R258 HydrophobicContact CB-CG 4.13Å; E215-R258 HydrophobicContact CG-CG 3.99Å; E215-R258 IonicContact OE2-CZ 3.07Å; E215-R258 IonicContact OE2-NE 3.95Å; E215-R258 PolarHBondContact OE2-NE 2.82Å; E215-R258 IonicContact OE2-NH2 2.9Å; E215-R258 PolarHBondContact OE2-NH2 3.26Å; R258-Y286 HydrophobicContact CB-CE1 3.72Å; R258-Y286 HydrophobicContact CG-CD1 4.31Å; R258-Y286 HydrophobicContact CG-CE1 3.91Å |
| 259 | S | 90.3 | Very high | 88.7 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.007 | 28% | 0.275 | C | S | . | . | trans | -77.8 | 130.1 | 174.9 | 68.1 | 0 | 0 | 0 | 0 | 110.7 | I214 T261 Y286 | I214-S259 PolarHBondContact N-OG 3.44Å; I214-S259 PolarHBondContact O-N 2.82Å; I214-S259 PolarHBondContact O-OG 3.42Å; S259-T261 PolarHBondContact O-N 2.78Å; S259-T261 PolarHBondContact OG-O 2.88Å; S259-Y286 PolarHBondContact O-OH 2.91Å | ||
| 260 | P | 86.9 | Confident | 88.5 | Confident | 39 Ų | 39 | 47.2 Ų | 47.2 | 25% | 0.253 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -72.1 | 10.1 | 177.8 | 32.7 | -37.5 | 0 | 0 | 0 | 113.4 | A233 L245 R335 | A233-P260 HydrophobicContact CB-CG 4.06Å; L245-P260 HydrophobicContact CD2-CG 4.41Å; P260-R335 WeakPolarHBondContact O-CG 3.19Å |
| 261 | T | 88.9 | Confident | 88 | Confident | 12 Ų | 12 | 44 Ų | 44 | 7% | 0.074 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -148.1 | 161.4 | -174.3 | 55.9 | 0 | 0 | 0 | 0 | 111.2 | G234 S259 R263 T334 R335 | G234-T261 WeakPolarHBondContact O-CB 3.42Å; G234-T261 WeakPolarHBondContact O-CG2 3.33Å; G234-T261 PolarHBondContact O-OG1 3.13Å; S259-T261 PolarHBondContact O-N 2.78Å; S259-T261 PolarHBondContact OG-O 2.88Å; T261-R263 PolarHBondContact O-N 3.25Å; T261-R263 VanDerWaalsContact O-N 3.08Å; T261-R263 PolarHBondContact OG1-O 2.93Å; T261-R263 VanDerWaalsContact OG1-O 3.1Å; T261-T334 CarbonylContact C-O 3.55Å; T261-T334 WeakPolarHBondContact CA-O 3.42Å; T261-R335 HydrophobicContact CG2-CB 4.32Å |
| 262 | N | 88.3 | Confident | 87.2 | Confident | 11 Ų | 11 | 50.7 Ų | 50.7 | 6% | 0.059 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -72.2 | 10.3 | 174.9 | 86.3 | -47.1 | 0 | 0 | 0 | 115.3 | V208 Y212 I214 T334 | V208-N262 HydrophobicContact CG2-CB 4.04Å; V208-N262 PolarHBondContact N-O 2.86Å; V208-N262 PolarHBondContact O-ND2 2.92Å; Y212-N262 WeakPolarHBondContact O-CA 3.32Å; Y212-N262 WeakPolarHBondContact O-CB 3.31Å; I214-N262 VanDerWaalsContact CD1-C 3.44Å; N262-T334 PolarHBondContact N-O 3.01Å; N262-T334 VanDerWaalsContact OD1-CA 3.26Å; N262-T334 WeakPolarHBondContact OD1-CA 3.4Å; N262-T334 VanDerWaalsContact OD1-CB 3.29Å; N262-T334 WeakPolarHBondContact OD1-CB 3.46Å; N262-T334 WeakPolarHBondContact OD1-CG2 3.49Å |
| 263 | R | 89.4 | Confident | 86 | Confident | 109 Ų | 109 | 53 Ų | 53 | 41% | 0.411 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 123.6 | 179.1 | -60.5 | -173.3 | 177.9 | -176.1 | -0.9 | 111.5 | I206 H207 G234 T261 | I206-R263 WeakPolarHBondContact O-CA 3.49Å; H207-R263 WeakPolarHBondContact ND1-CG 3.22Å; G234-R263 PolarHBondContact N-O 3.32Å; T261-R263 PolarHBondContact O-N 3.25Å; T261-R263 VanDerWaalsContact O-N 3.08Å; T261-R263 PolarHBondContact OG1-O 2.93Å; T261-R263 VanDerWaalsContact OG1-O 3.1Å |
| 264 | L | 91.3 | Very high | 84.5 | Confident | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 141.2 | 172.9 | -172.9 | 70.8 | 0 | 0 | 0 | 109.6 | I206 I214 I216 V231 L232 L245 L266 | I206-L264 HydrophobicContact CB-CB 4.48Å; I206-L264 HydrophobicContact CD1-CD2 4.48Å; I206-L264 PolarHBondContact N-O 3.22Å; I206-L264 PolarHBondContact O-N 2.9Å; I214-L264 HydrophobicContact CB-CB 4.19Å; I214-L264 HydrophobicContact CB-CD2 4.37Å; I214-L264 HydrophobicContact CD1-CB 4.05Å; I214-L264 HydrophobicContact CG1-CB 4.24Å; I214-L264 HydrophobicContact CG2-CD2 4.1Å; I216-L264 HydrophobicContact CD1-CD2 4.28Å; I216-L264 HydrophobicContact CG2-CD2 3.46Å; I216-L264 VanDerWaalsContact CG2-CD2 3.46Å; V231-L264 HydrophobicContact CG1-CD1 3.73Å; V231-L264 HydrophobicContact CG1-CD2 4.43Å; L232-L264 WeakPolarHBondContact O-CD1 3.11Å; L245-L264 HydrophobicContact CD1-CD1 3.93Å; L264-L266 HydrophobicContact CD2-CD2 4.1Å; L264-L266 HydrophobicContact CG-CD2 4.42Å |
| 265 | L | 90.9 | Very high | 83 | Confident | 40 Ų | 40 | 57.7 Ų | 57.7 | 21% | 0.209 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 134.6 | 169.9 | -76.7 | 75.6 | 0 | 0 | 0 | 108.5 | T203 Y204 L232 | T203-L265 HydrophobicContact CG2-CD2 4.08Å; Y204-L265 CarbonylContact O-C 3.59Å; Y204-L265 VanDerWaalsContact O-CA 3.31Å; Y204-L265 WeakPolarHBondContact O-CA 3.44Å; L232-L265 HydrophobicContact CB-CB 3.98Å; L232-L265 PolarHBondContact N-O 2.97Å; L232-L265 PolarHBondContact O-N 2.85Å |
| 266 | L | 90.7 | Very high | 81.3 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 111.2 | 171.1 | -58.3 | 175.4 | 0 | 0 | 0 | 107.2 | V184 T203 Y204 I206 I216 L230 V231 L264 I281 | V184-L266 HydrophobicContact CB-CD1 4.13Å; V184-L266 HydrophobicContact CG1-CD1 4.15Å; V184-L266 HydrophobicContact CG2-CD1 4.16Å; T203-L266 CarbonylContact C-O 3.6Å; T203-L266 WeakPolarHBondContact CA-O 3.22Å; Y204-L266 HydrophobicContact CD2-CB 4.34Å; Y204-L266 PolarHBondContact N-O 3.05Å; Y204-L266 PolarHBondContact O-N 3.36Å; I206-L266 HydrophobicContact CD1-CD1 4.18Å; I216-L266 HydrophobicContact CD1-CD2 4.3Å; L230-L266 WeakPolarHBondContact O-CA 3.42Å; V231-L266 HydrophobicContact CB-CD2 4.32Å; V231-L266 HydrophobicContact CG1-CD2 4.15Å; V231-L266 HydrophobicContact CG2-CD2 3.87Å; L264-L266 HydrophobicContact CD2-CD2 4.1Å; L264-L266 HydrophobicContact CG-CD2 4.42Å; L266-I281 HydrophobicContact CD1-CD1 4.25Å |
| 267 | H | 89.5 | Confident | 80 | Confident | 41 Ų | 41 | 55.7 Ų | 55.7 | 19% | 0.19 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 118.6 | -179.8 | 178.6 | 78 | 0 | 0 | 0 | 109.3 | D201 T203 L229 L230 L232 | D201-H267 IonicContact OD1-CE1 3.14Å; D201-H267 PolarHBondContact OD1-CE1 2.97Å; D201-H267 IonicContact OD1-ND1 2.66Å; D201-H267 IonicContact OD2-CE1 2.69Å; T203-H267 PolarHBondContact OG1-ND1 3.2Å; L229-H267 CarbonylContact C-O 3.55Å; L229-H267 WeakPolarHBondContact CA-O 3.46Å; L230-H267 HydrophobicContact CB-CB 4.41Å; L230-H267 PolarHBondContact N-O 3.46Å; L230-H267 PolarHBondContact O-N 2.84Å; L232-H267 HydrophobicContact CD1-CB 4.18Å |
| 268 | F | 87.6 | Confident | 79.3 | Confident | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.009 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 125.1 | -178.6 | 173.9 | -118.3 | 0 | 0 | 0 | 110 | L200 C202 L223 E227 E228 L229 F279 | L200-F268 HydrophobicContact CD2-CE1 4.06Å; C202-F268 PolarHBondContact N-O 3.3Å; C202-F268 PolarHBondContact O-N 3.4Å; L223-F268 HydrophobicContact CD2-CE2 3.95Å; E227-F268 HydrophobicContact CB-CE2 4.26Å; E227-F268 HydrophobicContact CG-CE2 4.37Å; E227-F268 HydrophobicContact CG-CZ 4.44Å; E228-F268 WeakPolarHBondContact O-CA 3.33Å; E228-F268 WeakPolarHBondContact O-CD2 3.43Å; L229-F268 HydrophobicContact CB-CD2 4.48Å; L229-F268 HydrophobicContact CD1-CB 4.04Å; F268-F279 HydrophobicContact CB-CE1 3.95Å; F268-F279 HydrophobicContact CB-CZ 4.38Å; F268-F279 HydrophobicContact CD1-CE1 4.02Å; F268-F279 HydrophobicContact CD2-CD1 4.31Å; F268-F279 AromaticContact CD2-CE1 3.91Å; F268-F279 HydrophobicContact CD2-CE1 3.91Å; F268-F279 HydrophobicContact CE2-CE1 4.44Å; F268-F279 AromaticContact CG-CE1 3.68Å; F268-F279 HydrophobicContact CG-CE1 3.68Å |
| 269 | Q | 85.9 | Confident | 79.1 | Confident | 71 Ų | 71 | 47.7 Ų | 47.7 | 33% | 0.332 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 130.3 | 177.1 | -166.6 | 173.5 | 95 | 0 | 0 | 110.5 | L200 D201 E228 | L200-Q269 WeakPolarHBondContact O-CA 3.38Å; D201-Q269 PolarHBondContact OD2-NE2 2.79Å; E228-Q269 PolarHBondContact N-O 2.98Å; E228-Q269 PolarHBondContact O-N 2.87Å |
| 270 | S | 80 | Confident | 79 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.014 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 116.2 | 175.1 | -171.5 | 0 | 0 | 0 | 0 | 109.8 | L199 L200 E227 R272 | L199-S270 WeakPolarHBondContact CA-O 3.4Å; L200-S270 PolarHBondContact N-O 3.49Å; L200-S270 PolarHBondContact O-N 2.9Å; E227-S270 WeakPolarHBondContact CG-OG 3.33Å; E227-S270 WeakPolarHBondContact OE1-CB 3.45Å; E227-S270 PolarHBondContact OE1-OG 3.08Å; S270-R272 PolarHBondContact O-N 2.88Å; S270-R272 PolarHBondContact OG-O 2.84Å |
| 271 | P | 72.6 | Confident | 79.2 | Confident | 53 Ų | 53 | 50.2 Ų | 50.2 | 34% | 0.344 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -82.3 | 8 | -175.9 | 34.5 | -36.9 | 0 | 0 | 0 | 113.3 | G198 E226 | G198-P271 CarbonylContact O-C 3.53Å; G198-P271 VanDerWaalsContact O-O 3.07Å; E226-P271 HydrophobicContact CB-CG 3.85Å; E226-P271 WeakPolarHBondContact O-CD 3.2Å; E226-P271 WeakPolarHBondContact O-CG 3.43Å |
| 272 | R | 67.4 | Low | 79.5 | Confident | 156 Ų | 156 | 50.4 Ų | 50.4 | 59% | 0.589 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -145.3 | 165.8 | 176.1 | -57.9 | -176.1 | -168.8 | 175.4 | 3.9 | 108.8 | G198 E226 S270 P274 | G198-R272 CarbonylContact O-C 3.55Å; G198-R272 WeakPolarHBondContact O-CA 3.39Å; G198-R272 PolarHBondContact O-N 3.31Å; E226-R272 IonicContact OE1-CZ 3.01Å; E226-R272 IonicContact OE1-NE 3.74Å; E226-R272 IonicContact OE1-NH1 3.26Å; E226-R272 PolarHBondContact OE1-NH1 2.83Å; E226-R272 IonicContact OE1-NH2 2.74Å; E226-R272 PolarHBondContact OE1-NH2 2.8Å; E226-R272 IonicContact OE2-CZ 2.94Å; E226-R272 IonicContact OE2-NE 2.88Å; E226-R272 PolarHBondContact OE2-NE 3.04Å; E226-R272 IonicContact OE2-NH1 3.85Å; E226-R272 IonicContact OE2-NH2 3.9Å; E226-R272 PolarHBondContact OE2-NH2 2.93Å; S270-R272 PolarHBondContact O-N 2.88Å; S270-R272 PolarHBondContact OG-O 2.84Å; R272-P274 WeakPolarHBondContact O-CD 3.4Å |
| 273 | V | 62.2 | Low | 79.8 | Confident | 78 Ų | 78 | 50 Ų | 50 | 47% | 0.473 | 25% | 0.251 | S | S | . | . | trans | -63.8 | 115.1 | 169.9 | 178.9 | 0 | 0 | 0 | 0 | 109.5 | L189 R275 | L189-V273 HydrophobicContact CD1-CG1 3.39Å; V273-R275 PolarHBondContact O-N 2.77Å | ||
| 274 | P | 57.9 | Low | 80.1 | Confident | 27 Ų | 27 | 48.3 Ų | 48.3 | 18% | 0.175 | 25% | 0.248 | C | C | . | . | trans | -55.3 | 137.2 | -178.5 | -29.1 | 35.1 | 0 | 0 | 0 | 113.5 | L189 L200 E227 R272 | L189-P274 HydrophobicContact CD1-CB 4.45Å; L189-P274 HydrophobicContact CD1-CG 4.49Å; L200-P274 HydrophobicContact CD2-CG 4.44Å; E227-P274 WeakPolarHBondContact OE1-CG 3.29Å; R272-P274 WeakPolarHBondContact O-CD 3.4Å | ||
| 275 | R | 55 | Low | 80.2 | Confident | 243 Ų | 243 | 49.9 Ų | 49.9 | 92% | 0.917 | 26% | 0.261 | S | S | * | . | trans | -110.5 | 64.3 | -174.9 | -68.9 | -170.4 | 176.9 | -171.3 | 0.3 | 112.5 | V273 G277 | V273-R275 PolarHBondContact O-N 2.77Å; R275-G277 PolarHBondContact O-N 2.77Å | ||
| 276 | G | 55.8 | Low | 80.2 | Confident | 75 Ų | 75 | 50.2 Ų | 50.2 | 77% | 0.773 | 26% | 0.26 | S | S | * | . | S | Bend | trans | 74.2 | 8.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | N222 | N222-G276 PolarHBondContact ND2-O 3.36Š|
| 277 | G | 65.4 | Low | 80.1 | Confident | 22 Ų | 22 | 53.6 Ų | 53.6 | 23% | 0.227 | 28% | 0.277 | C | S | . | . | trans | -83.7 | 158.6 | 156.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | N222 R275 | N222-G277 CarbonylContact O-C 3.58Å; N222-G277 VanDerWaalsContact O-C 3.31Å; N222-G277 WeakPolarHBondContact O-CA 3.36Å; R275-G277 PolarHBondContact O-N 2.77Å | ||
| 278 | G | 77.9 | Confident | 80.1 | Confident | 14 Ų | 14 | 52.1 Ų | 52.1 | 14% | 0.144 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.9 | 179.4 | -176 | 0 | 0 | 0 | 0 | 0 | 112.7 | S186 N222 | S186-G278 WeakPolarHBondContact OG-CA 3.44Å; N222-G278 PolarHBondContact N-O 3.17Å; N222-G278 PolarHBondContact O-N 3.12Å |
| 279 | F | 86.6 | Confident | 80.2 | Confident | 4 Ų | 4 | 54.7 Ų | 54.7 | 2% | 0.018 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 150.7 | 176.1 | 67.3 | -93.6 | 0 | 0 | 0 | 111.5 | V184 E185 S186 Y204 T220 L221 L223 L229 F268 I281 | V184-F279 HydrophobicContact CG1-CE2 4.11Å; E185-F279 WeakPolarHBondContact CA-O 3.45Å; S186-F279 PolarHBondContact N-O 2.86Å; S186-F279 PolarHBondContact OG-N 3.43Å; S186-F279 VanDerWaalsContact OG-N 3.07Å; S186-F279 PolarHBondContact OG-O 2.83Å; Y204-F279 AromaticContact CE2-CZ 3.91Å; Y204-F279 HydrophobicContact CE2-CZ 3.91Å; T220-F279 CarbonylContact O-C 3.43Å; T220-F279 VanDerWaalsContact O-CA 3.28Å; T220-F279 WeakPolarHBondContact O-CA 3.47Å; L221-F279 HydrophobicContact CD1-CB 4.02Å; L223-F279 HydrophobicContact CD2-CD1 4.43Å; L229-F279 HydrophobicContact CD1-CE1 4.18Å; L229-F279 HydrophobicContact CD1-CZ 4.27Å; L229-F279 HydrophobicContact CD2-CB 4.38Å; L229-F279 HydrophobicContact CD2-CD1 4.15Å; L229-F279 HydrophobicContact CD2-CD2 4.45Å; L229-F279 HydrophobicContact CD2-CG 4.08Å; F268-F279 HydrophobicContact CB-CE1 3.95Å; F268-F279 HydrophobicContact CB-CZ 4.38Å; F268-F279 HydrophobicContact CD1-CE1 4.02Å; F268-F279 HydrophobicContact CD2-CD1 4.31Å; F268-F279 AromaticContact CD2-CE1 3.91Å; F268-F279 HydrophobicContact CD2-CE1 3.91Å; F268-F279 HydrophobicContact CE2-CE1 4.44Å; F268-F279 AromaticContact CG-CE1 3.68Å; F268-F279 HydrophobicContact CG-CE1 3.68Å; F279-I281 HydrophobicContact CD2-CD1 3.89Å; F279-I281 HydrophobicContact CD2-CG1 4.07Å; F279-I281 HydrophobicContact CE2-CD1 4.29Å |
| 280 | R | 88.8 | Confident | 80.4 | Confident | 93 Ų | 93 | 51.5 Ų | 51.5 | 35% | 0.351 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 123.4 | 165.4 | 175.8 | 175.8 | -79.3 | 114.1 | 0.4 | 107.9 | Y183 E185 Q219 T220 | Y183-R280 HydrophobicContact CD1-CG 4.16Å; E185-R280 VanDerWaalsContact CD-NE 3.3Å; E185-R280 HydrophobicContact CG-CB 4.34Å; E185-R280 HydrophobicContact CG-CG 4.11Å; E185-R280 IonicContact OE1-CZ 3.21Å; E185-R280 IonicContact OE1-NE 2.72Å; E185-R280 PolarHBondContact OE1-NE 2.78Å; E185-R280 IonicContact OE1-NH2 2.87Å; E185-R280 PolarHBondContact OE1-NH2 2.77Å; E185-R280 IonicContact OE2-CZ 3.61Å; E185-R280 IonicContact OE2-NE 3.81Å; E185-R280 IonicContact OE2-NH2 2.78Å; E185-R280 PolarHBondContact OE2-NH2 2.97Å; Q219-R280 HydrophobicContact CB-CG 4.26Å; Q219-R280 PolarHBondContact N-O 2.88Å; Q219-R280 VanDerWaalsContact OE1-CD 3.32Å; T220-R280 PolarHBondContact N-O 3.21Å; T220-R280 PolarHBondContact O-N 2.88Å; T220-R280 WeakPolarHBondContact OG1-CB 3.48Å; T220-R280 PolarHBondContact OG1-N 2.88Å |
| 281 | I | 92.1 | Very high | 80.8 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 119.4 | 179.8 | -68 | 170.9 | 0 | 0 | 0 | 107.4 | Y183 V184 I216 Q217 V218 L229 L266 F279 | Y183-I281 CarbonylContact C-O 3.31Å; Y183-I281 WeakPolarHBondContact CA-O 3.43Å; V184-I281 PolarHBondContact N-O 2.91Å; V184-I281 PolarHBondContact O-N 2.93Å; I216-I281 HydrophobicContact CB-CG2 3.69Å; I216-I281 HydrophobicContact CD1-CG2 4.39Å; I216-I281 HydrophobicContact CG2-CG2 3.98Å; Q217-I281 WeakPolarHBondContact O-CA 3.25Å; V218-I281 HydrophobicContact CG2-CG1 4.43Å; L229-I281 HydrophobicContact CD2-CD1 4.19Å; L266-I281 HydrophobicContact CD1-CD1 4.25Å; F279-I281 HydrophobicContact CD2-CD1 3.89Å; F279-I281 HydrophobicContact CD2-CG1 4.07Å; F279-I281 HydrophobicContact CE2-CD1 4.29Å |
| 282 | H | 94.3 | Very high | 81.6 | Confident | 16 Ų | 16 | 57.4 Ų | 57.4 | 7% | 0.074 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 143.8 | 164 | 175.4 | -112.5 | 0 | 0 | 0 | 108.4 | E181 G182 Y183 I216 Q217 Q219 | E181-H282 WeakPolarHBondContact CG-NE2 3.31Å; E181-H282 IonicContact OE1-CD2 2.8Å; E181-H282 IonicContact OE1-CE1 3.63Å; E181-H282 IonicContact OE1-NE2 2.82Å; E181-H282 PolarHBondContact OE1-NE2 2.59Å; G182-H282 WeakPolarHBondContact O-CA 3.31Å; G182-H282 PolarHBondContact O-CD2 2.78Å; G182-H282 VanDerWaalsContact O-CD2 3.26Å; Y183-H282 HydrophobicContact CD1-CB 4.07Å; Y183-H282 HydrophobicContact CE1-CB 3.76Å; Y183-H282 AromaticContact CE1-CD2 3.75Å; Y183-H282 AromaticContact CZ-CD2 3.55Å; I216-H282 CarbonylContact C-O 3.59Å; I216-H282 WeakPolarHBondContact CA-O 3.34Å; Q217-H282 PolarHBondContact N-O 3.21Å; Q217-H282 PolarHBondContact O-N 2.94Å; Q219-H282 HydrophobicContact CG-CB 4.22Å |
| 283 | Y | 94.7 | Very high | 82.7 | Confident | 3 Ų | 3 | 50 Ų | 50 | 1% | 0.012 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 144.8 | 173.6 | 76.2 | -90.6 | 0 | 0 | 0 | 110.3 | I177 E181 G182 V184 I206 I214 E215 | I177-Y283 HydrophobicContact CG2-CE1 4.15Å; I177-Y283 HydrophobicContact CG2-CE2 4.37Å; I177-Y283 WeakPolarHBondContact CG2-OH 3.43Å; E181-Y283 CarbonylContact C-O 3.52Å; E181-Y283 VanDerWaalsContact CA-O 3.29Å; E181-Y283 WeakPolarHBondContact CA-O 3.16Å; E181-Y283 WeakPolarHBondContact CG-O 2.98Å; E181-Y283 PolarHBondContact O-OH 3.35Å; G182-Y283 PolarHBondContact N-O 2.95Å; G182-Y283 WeakPolarHBondContact O-CD1 3.25Å; G182-Y283 PolarHBondContact O-N 2.88Å; V184-Y283 HydrophobicContact CG2-CD1 4Å; V184-Y283 HydrophobicContact CG2-CE1 4.24Å; I206-Y283 HydrophobicContact CD1-CD1 4.1Å; I206-Y283 HydrophobicContact CD1-CD2 4.37Å; I206-Y283 HydrophobicContact CD1-CG 3.96Å; I206-Y283 HydrophobicContact CG2-CD2 3.78Å; I206-Y283 HydrophobicContact CG2-CE2 3.8Å; I206-Y283 HydrophobicContact CG2-CG 4.41Å; I214-Y283 HydrophobicContact CG2-CD2 4.26Å; I214-Y283 HydrophobicContact CG2-CG 4.49Å; E215-Y283 CarbonylContact O-C 3.46Å; E215-Y283 VanDerWaalsContact O-CA 3.27Å; E215-Y283 WeakPolarHBondContact O-CA 3.41Å |
| 284 | Q | 95.1 | Very high | 84 | Confident | 73 Ų | 73 | 50.2 Ų | 50.2 | 34% | 0.341 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 146.5 | 177.1 | 63.9 | -176.8 | -3.1 | 0 | 0 | 112 | G180 E181 E215 Y286 | G180-Q284 CarbonylContact O-C 3.58Å; E181-Q284 HydrophobicContact CG-CB 4.06Å; E215-Q284 HydrophobicContact CB-CG 4.1Å; E215-Q284 PolarHBondContact N-O 3.21Å; E215-Q284 PolarHBondContact O-N 3.05Å; E215-Q284 PolarHBondContact OE1-NE2 3.25Å; Q284-Y286 PolarHBondContact O-N 3.28Å |
| 285 | A | 93 | Very high | 85.5 | Confident | 35 Ų | 35 | 57.3 Ų | 57.3 | 29% | 0.289 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 122 | 175 | 0 | 0 | 0 | 0 | 0 | 110.3 | G180 V208 Y212 G213 | G180-A285 WeakPolarHBondContact O-CB 3.28Å; G180-A285 PolarHBondContact O-N 2.8Å; V208-A285 HydrophobicContact CB-CB 4.36Å; V208-A285 HydrophobicContact CG1-CB 4.07Å; Y212-A285 HydrophobicContact CD1-CB 4.23Å; G213-A285 CarbonylContact O-C 3.56Å; G213-A285 WeakPolarHBondContact O-CA 3.45Å |
| 286 | Y | 90.9 | Very high | 87.1 | Confident | 47 Ų | 47 | 46.4 Ų | 46.4 | 18% | 0.184 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 150.9 | 171.1 | 84.2 | -85 | 0 | 0 | 0 | 110 | Y212 G213 E215 R258 S259 Q284 L288 | Y212-Y286 CarbonylContact C-O 3.58Å; Y212-Y286 VanDerWaalsContact CA-O 3.22Å; Y212-Y286 WeakPolarHBondContact CA-O 3.41Å; Y212-Y286 WeakPolarHBondContact CB-O 3.34Å; G213-Y286 VanDerWaalsContact C-CD1 3.49Å; G213-Y286 PolarHBondContact N-O 2.77Å; G213-Y286 WeakPolarHBondContact O-CD1 3.32Å; G213-Y286 PolarHBondContact O-N 3.35Å; E215-Y286 HydrophobicContact CB-CD1 3.99Å; R258-Y286 HydrophobicContact CB-CE1 3.72Å; R258-Y286 HydrophobicContact CG-CD1 4.31Å; R258-Y286 HydrophobicContact CG-CE1 3.91Å; S259-Y286 PolarHBondContact O-OH 2.91Å; Q284-Y286 PolarHBondContact O-N 3.28Å; Y286-L288 HydrophobicContact CE2-CD2 4.05Å; Y286-L288 PolarHBondContact O-N 3.4Å; Y286-L288 VanDerWaalsContact OH-CD2 3.28Å; Y286-L288 WeakPolarHBondContact OH-CD2 3.37Å |
| 287 | L | 88.9 | Confident | 88.4 | Confident | 70 Ų | 70 | 46.2 Ų | 46.2 | 37% | 0.366 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 124.6 | -179.6 | -164.4 | 61.9 | 0 | 0 | 0 | 109.7 | Y212 H307 | Y212-L287 HydrophobicContact CD1-CD1 4.15Å; Y212-L287 HydrophobicContact CD2-CD1 4.38Å; Y212-L287 HydrophobicContact CE1-CB 4.4Å; Y212-L287 HydrophobicContact CE1-CD1 3.76Å; Y212-L287 HydrophobicContact CE2-CD1 4Å; Y212-L287 HydrophobicContact CG-CD1 4.44Å; L287-H307 HydrophobicContact CD2-CB 3.81Å; L287-H307 WeakPolarHBondContact CD2-CD2 3.12Å; L287-H307 VanDerWaalsContact CD2-CG 3.45Å; L287-H307 HydrophobicContact CG-CB 4.24Å |
| 288 | L | 89.8 | Confident | 89.3 | Confident | 10 Ų | 10 | 48.5 Ų | 48.5 | 5% | 0.052 | 27% | 0.266 | C | S | . | . | trans | -78 | 153.3 | 172.3 | -75.9 | 164.7 | 0 | 0 | 0 | 109.7 | G211 Y212 Y286 P308 P336 | G211-L288 WeakPolarHBondContact O-CB 3.42Å; G211-L288 PolarHBondContact O-N 3.3Å; Y212-L288 VanDerWaalsContact C-CD1 3.46Å; Y212-L288 VanDerWaalsContact O-CD1 3.3Å; Y212-L288 WeakPolarHBondContact O-CD1 3.42Å; Y286-L288 HydrophobicContact CE2-CD2 4.05Å; Y286-L288 PolarHBondContact O-N 3.4Å; Y286-L288 VanDerWaalsContact OH-CD2 3.28Å; Y286-L288 WeakPolarHBondContact OH-CD2 3.37Å; L288-P308 VanDerWaalsContact O-CD 3.23Å; L288-P308 WeakPolarHBondContact O-CD 3.19Å; L288-P336 HydrophobicContact CB-CG 3.59Å; L288-P336 HydrophobicContact CD1-CG 4.47Å | ||
| 289 | S | 90.4 | Very high | 89.8 | Confident | 56 Ų | 56 | 48.5 Ų | 48.5 | 39% | 0.392 | 27% | 0.266 | S | S | . | . | trans | -120.8 | 151 | 175.2 | -40 | 0 | 0 | 0 | 0 | 109.5 | L306 H307 | S289-L306 CarbonylContact C-O 3.59Å; S289-L306 VanDerWaalsContact CA-O 3.3Å; S289-L306 WeakPolarHBondContact CA-O 3.41Å; S289-H307 PolarHBondContact OG-CD2 2.82Å; S289-H307 PolarHBondContact OG-NE2 2.68Å | ||
| 290 | C | 90 | Very high | 89.9 | Confident | 4 Ų | 4 | 52.3 Ų | 52.3 | 3% | 0.027 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 151.6 | 159.1 | -71.9 | 0 | 0 | 0 | 0 | 109.9 | L306 C330 S337 W338 | C290-L306 PolarHBondContact N-O 2.89Å; C290-C330 HydrophobicContact CB-CB 3.92Å; C290-C330 WeakPolarHBondContact CB-SG 3.34Å; C290-C330 WeakPolarHBondContact SG-CA 3.45Å; C290-C330 WeakPolarHBondContact SG-CB 3.25Å; C290-C330 CovalentContact SG-SG 2.04Å; C290-C330 PolarHBondContact SG-SG 3.45Å; C290-S337 PolarHBondContact SG-N 3.33Å; C290-W338 HydrophobicContact CB-CD2 4.32Å; C290-W338 HydrophobicContact CB-CZ2 3.78Å |
| 291 | G | 88.1 | Confident | 90.2 | Very high | 55 Ų | 55 | 48.3 Ų | 48.3 | 57% | 0.567 | 27% | 0.272 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 144.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | W338 | G291-W338 PolarHBondContact O-NE1 2.9Š|
| 292 | F | 90.4 | Very high | 90.3 | Very high | 124 Ų | 124 | 50.9 Ų | 50.9 | 54% | 0.544 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -58 | 124.4 | 175.9 | -169.1 | -82.9 | 0 | 0 | 0 | 108.9 | V301 V303 L306 | F292-V301 HydrophobicContact CE1-CG1 3.89Å; F292-V301 HydrophobicContact CZ-CG1 4.12Å; F292-V303 HydrophobicContact CE2-CB 4.38Å; F292-V303 HydrophobicContact CE2-CG2 3.87Å; F292-V303 HydrophobicContact CZ-CG2 3.97Å; F292-L306 HydrophobicContact CD2-CD1 4.26Å; F292-L306 HydrophobicContact CD2-CD2 4.27Å |
| 293 | P | 89.9 | Confident | 90.2 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.006 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 139.4 | -175 | 26 | -33.3 | 0 | 0 | 0 | 110.2 | R295 V301 V303 A312 F314 W338 | P293-R295 PolarHBondContact O-N 2.96Å; P293-V301 HydrophobicContact CG-CG1 4.08Å; P293-V301 HydrophobicContact CG-CG2 3.84Å; P293-V303 HydrophobicContact CG-CG2 3.81Å; P293-A312 HydrophobicContact CG-CB 3.84Å; P293-F314 HydrophobicContact CB-CE1 4.25Å; P293-F314 HydrophobicContact CB-CZ 3.83Å; P293-F314 HydrophobicContact CG-CZ 4.33Å; P293-W338 HydrophobicContact CG-CZ2 4.26Å |
| 294 | P | 89.4 | Confident | 90 | Very high | 83 Ų | 83 | 57.1 Ų | 57.1 | 54% | 0.539 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 141.4 | 175.2 | 26.1 | -31.4 | 0 | 0 | 0 | 109.5 | T342 | P294-T342 HydrophobicContact CG-CG2 4.15Š|
| 295 | R | 89.1 | Confident | 89.7 | Confident | 175 Ų | 175 | 57.1 Ų | 57.1 | 66% | 0.66 | 33% | 0.332 | S | S | * | . | P | Polyproline II helix | trans | -69.6 | 133.1 | 171.1 | -79.7 | -177.8 | -73.1 | -150.7 | -3.5 | 109.2 | P293 D300 V301 | P293-R295 PolarHBondContact O-N 2.96Å; R295-D300 WeakPolarHBondContact CD-OD1 3Å; R295-D300 IonicContact NH1-OD1 2.73Å; R295-V301 HydrophobicContact CG-CG1 3.76Å |
| 296 | P | 89.1 | Confident | 89.6 | Confident | 14 Ų | 14 | 57.7 Ų | 57.7 | 9% | 0.091 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 149.2 | 174 | 28.1 | -33.6 | 0 | 0 | 0 | 109.5 | H298 G299 F314 | P296-H298 PolarHBondContact O-N 2.96Å; P296-G299 PolarHBondContact O-N 2.97Å; P296-F314 HydrophobicContact CG-CD1 4.27Å |
| 297 | A | 83.5 | Confident | 89.6 | Confident | 72 Ų | 72 | 58.2 Ų | 58.2 | 60% | 0.595 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 134 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | C345 | A297-C345 WeakPolarHBondContact O-CB 3.42Š|
| 298 | H | 83.5 | Confident | 89.6 | Confident | 70 Ų | 70 | 56.8 Ų | 56.8 | 32% | 0.324 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | 41.9 | -177 | -49.1 | -69.7 | 0 | 0 | 0 | 114.6 | P296 D317 Y320 C345 | P296-H298 PolarHBondContact O-N 2.96Å; H298-D317 VanDerWaalsContact CA-OD2 3.25Å; H298-D317 WeakPolarHBondContact CA-OD2 3.38Å; H298-D317 PolarHBondContact O-N 2.85Å; H298-Y320 HydrophobicContact CB-CD1 3.6Å; H298-Y320 HydrophobicContact CB-CD2 3.82Å; H298-Y320 HydrophobicContact CB-CE1 3.47Å; H298-Y320 VanDerWaalsContact CB-CE1 3.47Å; H298-Y320 HydrophobicContact CB-CE2 3.7Å; H298-Y320 HydrophobicContact CB-CG 3.79Å; H298-Y320 AromaticContact CD2-CE1 3.41Å; H298-Y320 VanDerWaalsContact CD2-CE1 3.41Å; H298-Y320 WeakPolarHBondContact CD2-CE1 3.03Å; H298-Y320 AromaticContact CD2-CZ 3.62Å; H298-Y320 PolarHBondContact CE1-OH 2.03Å; H298-Y320 AromaticContact CG-CE1 3.37Å; H298-Y320 AromaticContact CG-CE2 3.84Å; H298-Y320 AromaticContact CG-CZ 3.25Å; H298-Y320 AromaticContact ND1-CZ 3.57Å; H298-Y320 PolarHBondContact ND1-OH 3.11Å; H298-C345 WeakPolarHBondContact O-CB 3.43Å |
| 299 | G | 87.6 | Confident | 89.6 | Confident | 14 Ų | 14 | 59.1 Ų | 59.1 | 14% | 0.144 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171 | -174.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | P296 H315 | P296-G299 PolarHBondContact O-N 2.97Å; G299-H315 CarbonylContact C-O 3.55Å; G299-H315 WeakPolarHBondContact CA-O 3.47Å |
| 300 | D | 90.4 | Very high | 89.7 | Confident | 83 Ų | 83 | 56.8 Ų | 56.8 | 44% | 0.444 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 165.3 | 179.7 | -165.2 | 21.7 | 0 | 0 | 0 | 111.5 | R295 H315 | R295-D300 WeakPolarHBondContact CD-OD1 3Å; R295-D300 IonicContact NH1-OD1 2.73Å; D300-H315 PolarHBondContact N-O 2.8Å; D300-H315 PolarHBondContact O-N 2.99Å |
| 301 | V | 94.6 | Very high | 89.9 | Confident | 9 Ų | 9 | 58.4 Ų | 58.4 | 6% | 0.055 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 116.6 | 179.1 | 68.4 | 0 | 0 | 0 | 0 | 112.1 | F292 P293 R295 V303 A312 F314 | F292-V301 HydrophobicContact CE1-CG1 3.89Å; F292-V301 HydrophobicContact CZ-CG1 4.12Å; P293-V301 HydrophobicContact CG-CG1 4.08Å; P293-V301 HydrophobicContact CG-CG2 3.84Å; R295-V301 HydrophobicContact CG-CG1 3.76Å; V301-V303 HydrophobicContact CG1-CG2 4.32Å; V301-V303 HydrophobicContact CG2-CG2 4.06Å; V301-A312 HydrophobicContact CG2-CB 3.93Å; V301-F314 HydrophobicContact CB-CD1 3.78Å; V301-F314 HydrophobicContact CB-CE1 3.74Å; V301-F314 HydrophobicContact CB-CZ 4.48Å; V301-F314 HydrophobicContact CG2-CD1 3.6Å; V301-F314 HydrophobicContact CG2-CD2 4.3Å; V301-F314 HydrophobicContact CG2-CE1 3.36Å; V301-F314 HydrophobicContact CG2-CE2 4.08Å; V301-F314 HydrophobicContact CG2-CG 4.08Å; V301-F314 HydrophobicContact CG2-CZ 3.62Å |
| 302 | S | 93.8 | Very high | 90.2 | Very high | 54 Ų | 54 | 55.8 Ų | 55.8 | 38% | 0.378 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 108.4 | 172.3 | 56.7 | 0 | 0 | 0 | 0 | 110.1 | T313 H315 | S302-T313 PolarHBondContact N-O 3.48Å; S302-T313 PolarHBondContact O-N 3.44Å; S302-T313 PolarHBondContact OG-O 3.49Å; S302-H315 PolarHBondContact OG-NE2 2.92Å |
| 303 | V | 92.9 | Very high | 90.5 | Very high | 44 Ų | 44 | 51.1 Ų | 51.1 | 27% | 0.267 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 128.1 | -179.8 | -176.7 | 0 | 0 | 0 | 0 | 110 | F292 P293 V301 L306 A312 | F292-V303 HydrophobicContact CE2-CB 4.38Å; F292-V303 HydrophobicContact CE2-CG2 3.87Å; F292-V303 HydrophobicContact CZ-CG2 3.97Å; P293-V303 HydrophobicContact CG-CG2 3.81Å; V301-V303 HydrophobicContact CG1-CG2 4.32Å; V301-V303 HydrophobicContact CG2-CG2 4.06Å; V303-L306 HydrophobicContact CG1-CD2 3.71Å; V303-L306 HydrophobicContact CG1-CG 4.09Å; V303-A312 HydrophobicContact CG2-CB 4.08Å |
| 304 | T | 90.7 | Very high | 90.7 | Very high | 106 Ų | 106 | 51.2 Ų | 51.2 | 65% | 0.65 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -87.6 | -45.4 | 178.5 | 60 | 0 | 0 | 0 | 0 | 112 | T311 | T304-T311 WeakPolarHBondContact CG2-OG1 3.44Å; T304-T311 PolarHBondContact N-O 3.23Å; T304-T311 PolarHBondContact OG1-N 2.72Å; T304-T311 VanDerWaalsContact OG1-N 3.08Å; T304-T311 PolarHBondContact OG1-O 3.39Å; T304-T311 VanDerWaalsContact OG1-O 3.1Å; T304-T311 PolarHBondContact OG1-OG1 3.1Å |
| 305 | D | 88.4 | Confident | 90.8 | Very high | 74 Ų | 74 | 51.7 Ų | 51.7 | 40% | 0.396 | 30% | 0.3 | S | S | . | . | trans | -155.6 | 153 | 173 | -165.6 | -3.6 | 0 | 0 | 0 | 108.9 | H307 G310 | D305-H307 IonicContact OD1-CE1 2.59Å; D305-H307 IonicContact OD1-CG 3.92Å; D305-H307 PolarHBondContact OD1-N 3.4Å; D305-H307 VanDerWaalsContact OD1-N 3.17Å; D305-H307 IonicContact OD1-ND1 3.21Å; D305-H307 PolarHBondContact OD1-ND1 3.41Å; D305-H307 IonicContact OD2-CG 2.79Å; D305-H307 IonicContact OD2-ND1 3.56Å; D305-H307 PolarHBondContact OD2-ND1 3Å; D305-G310 CarbonylContact O-C 3.57Å; D305-G310 WeakPolarHBondContact O-CA 3.39Å | ||
| 306 | L | 90.3 | Very high | 90.7 | Very high | 47 Ų | 47 | 45.2 Ų | 45.2 | 25% | 0.246 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -99 | -10 | 175 | -65.6 | 172.5 | 0 | 0 | 0 | 112.9 | S289 C290 F292 V303 C330 W338 | S289-L306 CarbonylContact C-O 3.59Å; S289-L306 VanDerWaalsContact CA-O 3.3Å; S289-L306 WeakPolarHBondContact CA-O 3.41Å; C290-L306 PolarHBondContact N-O 2.89Å; F292-L306 HydrophobicContact CD2-CD1 4.26Å; F292-L306 HydrophobicContact CD2-CD2 4.27Å; V303-L306 HydrophobicContact CG1-CD2 3.71Å; V303-L306 HydrophobicContact CG1-CG 4.09Å; L306-C330 PolarHBondContact O-SG 3.03Å; L306-W338 HydrophobicContact CD2-CH2 4.4Å; L306-W338 HydrophobicContact CD2-CZ2 3.87Å |
| 307 | H | 90.4 | Very high | 90.3 | Very high | 58 Ų | 58 | 48.4 Ų | 48.4 | 27% | 0.269 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -74.3 | 160.8 | 176.1 | -55.6 | 105.9 | 0 | 0 | 0 | 112 | L287 S289 D305 G309 G310 | L287-H307 HydrophobicContact CD2-CB 3.81Å; L287-H307 WeakPolarHBondContact CD2-CD2 3.12Å; L287-H307 VanDerWaalsContact CD2-CG 3.45Å; L287-H307 HydrophobicContact CG-CB 4.24Å; S289-H307 PolarHBondContact OG-CD2 2.82Å; S289-H307 PolarHBondContact OG-NE2 2.68Å; D305-H307 IonicContact OD1-CE1 2.59Å; D305-H307 IonicContact OD1-CG 3.92Å; D305-H307 PolarHBondContact OD1-N 3.4Å; D305-H307 VanDerWaalsContact OD1-N 3.17Å; D305-H307 IonicContact OD1-ND1 3.21Å; D305-H307 PolarHBondContact OD1-ND1 3.41Å; D305-H307 IonicContact OD2-CG 2.79Å; D305-H307 IonicContact OD2-ND1 3.56Å; D305-H307 PolarHBondContact OD2-ND1 3Å; H307-G309 PolarHBondContact O-N 3.08Å; H307-G310 WeakPolarHBondContact O-CA 3.28Å; H307-G310 PolarHBondContact O-N 2.87Å |
| 308 | P | 89.9 | Confident | 89.9 | Confident | 40 Ų | 40 | 48 Ų | 48 | 26% | 0.26 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 125.3 | 177.8 | -28.9 | 35.2 | 0 | 0 | 0 | 113.3 | L288 C330 N332 P336 | L288-P308 VanDerWaalsContact O-CD 3.23Å; L288-P308 WeakPolarHBondContact O-CD 3.19Å; P308-C330 CarbonylContact C-O 3.51Å; P308-C330 WeakPolarHBondContact CA-O 3.37Å; P308-N332 HydrophobicContact CB-CB 3.97Å; P308-P336 HydrophobicContact CG-CB 4.31Å; P308-P336 HydrophobicContact CG-CG 4Å |
| 309 | G | 89 | Confident | 89.4 | Confident | 59 Ų | 59 | 45.5 Ų | 45.5 | 61% | 0.608 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96 | -12.9 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | H307 C330 | H307-G309 PolarHBondContact O-N 3.08Å; G309-C330 PolarHBondContact N-O 2.94Å |
| 310 | G | 92.1 | Very high | 89 | Confident | 6 Ų | 6 | 46.8 Ų | 46.8 | 6% | 0.062 | 28% | 0.283 | C | S | . | . | trans | -69.8 | 157.8 | 171 | 0 | 0 | 0 | 0 | 0 | 113 | D305 H307 C330 | D305-G310 CarbonylContact O-C 3.57Å; D305-G310 WeakPolarHBondContact O-CA 3.39Å; H307-G310 WeakPolarHBondContact O-CA 3.28Å; H307-G310 PolarHBondContact O-N 2.87Å; G310-C330 PolarHBondContact O-N 2.67Å | ||
| 311 | T | 95.3 | Very high | 88.7 | Confident | 39 Ų | 39 | 49 Ų | 49 | 24% | 0.239 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 148.8 | -174.7 | 67.3 | 0 | 0 | 0 | 0 | 113.1 | T304 T327 L328 I329 | T304-T311 WeakPolarHBondContact CG2-OG1 3.44Å; T304-T311 PolarHBondContact N-O 3.23Å; T304-T311 PolarHBondContact OG1-N 2.72Å; T304-T311 VanDerWaalsContact OG1-N 3.08Å; T304-T311 PolarHBondContact OG1-O 3.39Å; T304-T311 VanDerWaalsContact OG1-O 3.1Å; T304-T311 PolarHBondContact OG1-OG1 3.1Å; T311-T327 HydrophobicContact CG2-CG2 4.29Å; T311-L328 CarbonylContact C-O 3.57Å; T311-L328 WeakPolarHBondContact CA-O 3.3Å; T311-I329 HydrophobicContact CG2-CG1 4.38Å |
| 312 | A | 94.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 111.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | P293 V301 V303 F314 T327 L328 W338 | P293-A312 HydrophobicContact CG-CB 3.84Å; V301-A312 HydrophobicContact CG2-CB 3.93Å; V303-A312 HydrophobicContact CG2-CB 4.08Å; A312-F314 HydrophobicContact CB-CE2 4.09Å; A312-F314 HydrophobicContact CB-CZ 4.3Å; A312-F314 WeakPolarHBondContact O-CD2 3.46Å; A312-F314 WeakPolarHBondContact O-CE2 2.98Å; A312-T327 CarbonylContact O-C 3.47Å; A312-T327 VanDerWaalsContact O-CA 3.31Å; A312-T327 WeakPolarHBondContact O-CA 3.1Å; A312-L328 PolarHBondContact N-O 2.94Å; A312-L328 PolarHBondContact O-N 2.92Å; A312-W338 HydrophobicContact CB-CE3 4.39Å; A312-W338 HydrophobicContact CB-CH2 3.73Å; A312-W338 HydrophobicContact CB-CZ2 4.25Å; A312-W338 HydrophobicContact CB-CZ3 3.79Å |
| 313 | T | 95.2 | Very high | 88.1 | Confident | 26 Ų | 26 | 53.8 Ų | 53.8 | 16% | 0.16 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 127.6 | -179.9 | -58.8 | 0 | 0 | 0 | 0 | 109.9 | S302 E326 T327 | S302-T313 PolarHBondContact N-O 3.48Å; S302-T313 PolarHBondContact O-N 3.44Å; S302-T313 PolarHBondContact OG-O 3.49Å; T313-E326 CarbonylContact C-O 3.54Å; T313-E326 WeakPolarHBondContact CA-O 3.45Å; T313-E326 HydrophobicContact CG2-CG 4.43Å; T313-T327 WeakPolarHBondContact CB-OG1 3.1Å; T313-T327 WeakPolarHBondContact CG2-OG1 3.47Å; T313-T327 WeakPolarHBondContact OG1-CG2 3.45Å; T313-T327 PolarHBondContact OG1-OG1 2.79Å |
| 314 | F | 94.8 | Very high | 87.8 | Confident | 3 Ų | 3 | 54.7 Ų | 54.7 | 1% | 0.013 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 137.8 | -171.3 | -64.2 | -93.3 | 0 | 0 | 0 | 111.6 | P293 P296 V301 A312 L322 E326 L328 T342 P343 | P293-F314 HydrophobicContact CB-CE1 4.25Å; P293-F314 HydrophobicContact CB-CZ 3.83Å; P293-F314 HydrophobicContact CG-CZ 4.33Å; P296-F314 HydrophobicContact CG-CD1 4.27Å; V301-F314 HydrophobicContact CB-CD1 3.78Å; V301-F314 HydrophobicContact CB-CE1 3.74Å; V301-F314 HydrophobicContact CB-CZ 4.48Å; V301-F314 HydrophobicContact CG2-CD1 3.6Å; V301-F314 HydrophobicContact CG2-CD2 4.3Å; V301-F314 HydrophobicContact CG2-CE1 3.36Å; V301-F314 HydrophobicContact CG2-CE2 4.08Å; V301-F314 HydrophobicContact CG2-CG 4.08Å; V301-F314 HydrophobicContact CG2-CZ 3.62Å; A312-F314 HydrophobicContact CB-CE2 4.09Å; A312-F314 HydrophobicContact CB-CZ 4.3Å; A312-F314 WeakPolarHBondContact O-CD2 3.46Å; A312-F314 WeakPolarHBondContact O-CE2 2.98Å; F314-L322 HydrophobicContact CB-CD1 4.15Å; F314-L322 HydrophobicContact CB-CD2 4.33Å; F314-E326 PolarHBondContact N-O 2.88Å; F314-L328 HydrophobicContact CE2-CB 4.16Å; F314-L328 HydrophobicContact CE2-CD1 3.71Å; F314-L328 HydrophobicContact CE2-CG 3.74Å; F314-L328 HydrophobicContact CZ-CD1 3.95Å; F314-L328 HydrophobicContact CZ-CG 4.47Å; F314-T342 HydrophobicContact CD1-CG2 4.32Å; F314-T342 HydrophobicContact CE1-CG2 3.63Å; F314-T342 HydrophobicContact CZ-CG2 4.08Å; F314-P343 HydrophobicContact CB-CG 3.72Å; F314-P343 HydrophobicContact CD1-CG 3.95Å; F314-P343 HydrophobicContact CD2-CG 3.74Å; F314-P343 HydrophobicContact CE2-CG 4.36Å; F314-P343 HydrophobicContact CG-CG 3.51Å |
| 315 | H | 91.4 | Very high | 87.9 | Confident | 93 Ų | 93 | 54 Ų | 54 | 43% | 0.431 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 144 | -179.3 | -53.5 | -85.4 | 0 | 0 | 0 | 109.4 | G299 D300 S302 | G299-H315 CarbonylContact C-O 3.55Å; G299-H315 WeakPolarHBondContact CA-O 3.47Å; D300-H315 PolarHBondContact N-O 2.8Å; D300-H315 PolarHBondContact O-N 2.99Å; S302-H315 PolarHBondContact OG-NE2 2.92Å |
| 316 | C | 87.9 | Confident | 88.1 | Confident | 38 Ų | 38 | 56.4 Ų | 56.4 | 26% | 0.257 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 152.1 | 175.3 | -61.5 | 0 | 0 | 0 | 0 | 112 | L322 C345 | C316-L322 VanDerWaalsContact SG-CA 3.56Å; C316-L322 WeakPolarHBondContact SG-CD1 3.29Å; C316-C345 WeakPolarHBondContact CA-SG 3.48Å; C316-C345 HydrophobicContact CB-CB 3.77Å; C316-C345 WeakPolarHBondContact CB-SG 3.13Å; C316-C345 VanDerWaalsContact SG-CA 3.58Å; C316-C345 WeakPolarHBondContact SG-CB 3.46Å; C316-C345 CovalentContact SG-SG 2.04Å; C316-C345 PolarHBondContact SG-SG 2.93Å |
| 317 | D | 81.1 | Confident | 88.3 | Confident | 82 Ų | 82 | 56.2 Ų | 56.2 | 44% | 0.439 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 153.6 | 170.4 | -69.2 | -32.7 | 0 | 0 | 0 | 111.2 | H298 G319 Y320 | H298-D317 VanDerWaalsContact CA-OD2 3.25Å; H298-D317 WeakPolarHBondContact CA-OD2 3.38Å; H298-D317 PolarHBondContact O-N 2.85Å; D317-G319 PolarHBondContact O-N 2.81Å; D317-Y320 HydrophobicContact CB-CD2 4.14Å; D317-Y320 PolarHBondContact O-N 2.84Å |
| 318 | S | 74.5 | Confident | 88.6 | Confident | 64 Ų | 64 | 53.4 Ų | 53.4 | 45% | 0.448 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 128.1 | 177.1 | 64.1 | 0 | 0 | 0 | 0 | 111.3 | R360 | S318-R360 CarbonylContact C-O 3.51Å; S318-R360 WeakPolarHBondContact O-CB 3.47Å; S318-R360 PolarHBondContact OG-N 3.08Å |
| 319 | G | 72.4 | Confident | 88.8 | Confident | 17 Ų | 17 | 55 Ų | 55 | 18% | 0.175 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 99.1 | -9.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | D317 S348 R360 V362 | D317-G319 PolarHBondContact O-N 2.81Å; G319-S348 PolarHBondContact O-N 2.83Å; G319-S348 VanDerWaalsContact O-N 3.07Å; G319-S348 PolarHBondContact O-OG 2.92Å; G319-R360 WeakPolarHBondContact CA-O 3.03Å; G319-R360 PolarHBondContact N-O 2.88Å; G319-V362 WeakPolarHBondContact O-CG2 3.4Å |
| 320 | Y | 79.8 | Confident | 89 | Confident | 40 Ų | 40 | 52.3 Ų | 52.3 | 16% | 0.157 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 151.6 | 173.9 | -63.3 | -103.7 | 0 | 0 | 0 | 111 | H298 D317 C345 M346 A347 V362 | H298-Y320 HydrophobicContact CB-CD1 3.6Å; H298-Y320 HydrophobicContact CB-CD2 3.82Å; H298-Y320 HydrophobicContact CB-CE1 3.47Å; H298-Y320 VanDerWaalsContact CB-CE1 3.47Å; H298-Y320 HydrophobicContact CB-CE2 3.7Å; H298-Y320 HydrophobicContact CB-CG 3.79Å; H298-Y320 AromaticContact CD2-CE1 3.41Å; H298-Y320 VanDerWaalsContact CD2-CE1 3.41Å; H298-Y320 WeakPolarHBondContact CD2-CE1 3.03Å; H298-Y320 AromaticContact CD2-CZ 3.62Å; H298-Y320 PolarHBondContact CE1-OH 2.03Å; H298-Y320 AromaticContact CG-CE1 3.37Å; H298-Y320 AromaticContact CG-CE2 3.84Å; H298-Y320 AromaticContact CG-CZ 3.25Å; H298-Y320 AromaticContact ND1-CZ 3.57Å; H298-Y320 PolarHBondContact ND1-OH 3.11Å; D317-Y320 HydrophobicContact CB-CD2 4.14Å; D317-Y320 PolarHBondContact O-N 2.84Å; Y320-C345 HydrophobicContact CD1-CB 4.45Å; Y320-M346 CarbonylContact C-O 3.58Å; Y320-M346 VanDerWaalsContact CA-O 3.31Å; Y320-M346 WeakPolarHBondContact CA-O 3.45Å; Y320-A347 HydrophobicContact CD1-CB 4.04Å; Y320-A347 VanDerWaalsContact CD1-N 3.34Å; Y320-A347 HydrophobicContact CE1-CB 3.85Å; Y320-V362 HydrophobicContact CD2-CG2 3.98Å; Y320-V362 HydrophobicContact CE1-CG2 4.36Å; Y320-V362 HydrophobicContact CE2-CB 4.4Å; Y320-V362 HydrophobicContact CE2-CG1 4.14Å; Y320-V362 HydrophobicContact CE2-CG2 3.59Å |
| 321 | Q | 82.9 | Confident | 88.9 | Confident | 129 Ų | 129 | 55.8 Ų | 55.8 | 60% | 0.603 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 141.5 | 175.8 | -67.1 | -178.3 | 5.9 | 0 | 0 | 109.9 | M346 | Q321-M346 PolarHBondContact N-O 2.91Å; Q321-M346 PolarHBondContact O-N 3.32Å |
| 322 | L | 86.8 | Confident | 88.6 | Confident | 56 Ų | 56 | 59.7 Ų | 59.7 | 29% | 0.293 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 128.1 | -178.3 | -163.2 | 76.8 | 0 | 0 | 0 | 111.1 | F314 C316 E326 P343 | F314-L322 HydrophobicContact CB-CD1 4.15Å; F314-L322 HydrophobicContact CB-CD2 4.33Å; C316-L322 VanDerWaalsContact SG-CA 3.56Å; C316-L322 WeakPolarHBondContact SG-CD1 3.29Å; L322-E326 HydrophobicContact CD2-CB 4.05Å; L322-E326 HydrophobicContact CD2-CG 4.21Å; L322-P343 HydrophobicContact CD1-CB 3.73Å; L322-P343 HydrophobicContact CD1-CG 3.83Å; L322-P343 HydrophobicContact CD2-CB 4.17Å; L322-P343 HydrophobicContact CD2-CG 4.23Å; L322-P343 HydrophobicContact CG-CB 3.87Å; L322-P343 HydrophobicContact CG-CG 4.28Å |
| 323 | Q | 88.9 | Confident | 88.1 | Confident | 108 Ų | 108 | 60.7 Ų | 60.7 | 51% | 0.505 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 105.6 | 172.3 | 179.2 | -174.5 | 55.8 | 0 | 0 | 109 | P343 S344 M346 | Q323-P343 WeakPolarHBondContact O-CA 3.29Å; Q323-P343 WeakPolarHBondContact O-CB 3.26Å; Q323-S344 PolarHBondContact N-O 3.22Å; Q323-S344 PolarHBondContact O-N 3.49Å; Q323-S344 PolarHBondContact OE1-OG 2.64Å; Q323-M346 HydrophobicContact CB-CE 4.2Å; Q323-M346 HydrophobicContact CG-CE 4.32Å; Q323-M346 PolarHBondContact OE1-SD 3.24Å; Q323-M346 VanDerWaalsContact OE1-SD 3.4Å |
| 324 | G | 88.4 | Confident | 87.4 | Confident | 63 Ų | 63 | 62.3 Ų | 62.3 | 65% | 0.649 | 35% | 0.346 | S | S | * | . | S | Bend | trans | 140.6 | -154.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 325 | E | 92.2 | Very high | 87 | Confident | 91 Ų | 91 | 69.4 Ų | 69.4 | 43% | 0.425 | 37% | 0.373 | S | S | . | . | trans | -89.7 | 128.5 | 174 | -172.4 | 170.1 | -144 | 0 | 0 | 110.6 | T327 L328 N339 P343 | E325-T327 VanDerWaalsContact C-N 3.29Å; E325-T327 WeakPolarHBondContact CG-O 3.29Å; E325-T327 PolarHBondContact O-N 2.8Å; E325-L328 HydrophobicContact CB-CD2 4.19Å; E325-L328 WeakPolarHBondContact OE2-CD2 3.41Å; E325-N339 PolarHBondContact OE2-ND2 2.96Å; E325-P343 WeakPolarHBondContact O-CG 3.32Å | ||
| 326 | E | 93.1 | Very high | 86.8 | Confident | 125 Ų | 125 | 65.5 Ų | 65.5 | 58% | 0.584 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -65.8 | -29.2 | -178.2 | -169.4 | -171.8 | 149.2 | 0 | 0 | 113.1 | T313 F314 L322 | T313-E326 CarbonylContact C-O 3.54Å; T313-E326 WeakPolarHBondContact CA-O 3.45Å; T313-E326 HydrophobicContact CG2-CG 4.43Å; F314-E326 PolarHBondContact N-O 2.88Å; L322-E326 HydrophobicContact CD2-CB 4.05Å; L322-E326 HydrophobicContact CD2-CG 4.21Å |
| 327 | T | 94.5 | Very high | 86.9 | Confident | 43 Ų | 43 | 66.9 Ų | 66.9 | 26% | 0.264 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 115.2 | -179.4 | -64.4 | 0 | 0 | 0 | 0 | 111.2 | T311 A312 T313 E325 | T311-T327 HydrophobicContact CG2-CG2 4.29Å; A312-T327 CarbonylContact O-C 3.47Å; A312-T327 VanDerWaalsContact O-CA 3.31Å; A312-T327 WeakPolarHBondContact O-CA 3.1Å; T313-T327 WeakPolarHBondContact CB-OG1 3.1Å; T313-T327 WeakPolarHBondContact CG2-OG1 3.47Å; T313-T327 WeakPolarHBondContact OG1-CG2 3.45Å; T313-T327 PolarHBondContact OG1-OG1 2.79Å; E325-T327 VanDerWaalsContact C-N 3.29Å; E325-T327 WeakPolarHBondContact CG-O 3.29Å; E325-T327 PolarHBondContact O-N 2.8Å |
| 328 | L | 95 | Very high | 87.5 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 151.1 | 170.7 | -60.5 | 178.4 | 0 | 0 | 0 | 110.7 | T311 A312 F314 E325 W338 N339 | T311-L328 CarbonylContact C-O 3.57Å; T311-L328 WeakPolarHBondContact CA-O 3.3Å; A312-L328 PolarHBondContact N-O 2.94Å; A312-L328 PolarHBondContact O-N 2.92Å; F314-L328 HydrophobicContact CE2-CB 4.16Å; F314-L328 HydrophobicContact CE2-CD1 3.71Å; F314-L328 HydrophobicContact CE2-CG 3.74Å; F314-L328 HydrophobicContact CZ-CD1 3.95Å; F314-L328 HydrophobicContact CZ-CG 4.47Å; E325-L328 HydrophobicContact CB-CD2 4.19Å; E325-L328 WeakPolarHBondContact OE2-CD2 3.41Å; L328-W338 HydrophobicContact CB-CB 4.33Å; L328-W338 HydrophobicContact CB-CD2 4.29Å; L328-W338 HydrophobicContact CB-CE3 3.73Å; L328-W338 HydrophobicContact CB-CZ3 4.49Å; L328-W338 HydrophobicContact CD1-CB 4.16Å; L328-W338 HydrophobicContact CD1-CG 4.45Å; L328-N339 VanDerWaalsContact CA-OD1 3.25Å; L328-N339 WeakPolarHBondContact CA-OD1 3.38Å; L328-N339 WeakPolarHBondContact CB-OD1 3.32Å; L328-N339 WeakPolarHBondContact CD2-OD1 3.35Å |
| 329 | I | 94.4 | Very high | 88.4 | Confident | 74 Ų | 74 | 64.6 Ų | 64.6 | 38% | 0.379 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 131.6 | -179.7 | -52.3 | 179.3 | 0 | 0 | 0 | 109.1 | T311 L331 W338 N339 | T311-I329 HydrophobicContact CG2-CG1 4.38Å; I329-L331 PolarHBondContact O-N 2.78Å; I329-W338 VanDerWaalsContact C-CE3 3.44Å; I329-N339 PolarHBondContact N-OD1 3.17Å; I329-N339 PolarHBondContact O-N 2.8Å; I329-N339 VanDerWaalsContact O-N 3.12Å; I329-N339 PolarHBondContact O-OD1 3.34Å |
| 330 | C | 92.9 | Very high | 89.2 | Confident | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.007 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 115.3 | 176.1 | -178.1 | 0 | 0 | 0 | 0 | 110 | C290 L306 P308 G309 G310 W338 | C290-C330 HydrophobicContact CB-CB 3.92Å; C290-C330 WeakPolarHBondContact CB-SG 3.34Å; C290-C330 WeakPolarHBondContact SG-CA 3.45Å; C290-C330 WeakPolarHBondContact SG-CB 3.25Å; C290-C330 CovalentContact SG-SG 2.04Å; C290-C330 PolarHBondContact SG-SG 3.45Å; L306-C330 PolarHBondContact O-SG 3.03Å; P308-C330 CarbonylContact C-O 3.51Å; P308-C330 WeakPolarHBondContact CA-O 3.37Å; G309-C330 PolarHBondContact N-O 2.94Å; G310-C330 PolarHBondContact O-N 2.67Å; C330-W338 HydrophobicContact CB-CE3 4.16Å; C330-W338 HydrophobicContact CB-CH2 4.08Å; C330-W338 HydrophobicContact CB-CZ3 3.83Å |
| 331 | L | 91.3 | Very high | 89.8 | Confident | 80 Ų | 80 | 72.1 Ų | 72.1 | 42% | 0.419 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 148.1 | -177.5 | -60.3 | -175.8 | 0 | 0 | 0 | 112.2 | I329 P336 S337 N339 | I329-L331 PolarHBondContact O-N 2.78Å; L331-P336 WeakPolarHBondContact O-CA 3.41Å; L331-P336 WeakPolarHBondContact O-CB 3.3Å; L331-S337 WeakPolarHBondContact CB-O 3.36Å; L331-S337 PolarHBondContact N-O 3.29Å; L331-N339 HydrophobicContact CD1-CB 3.88Å; L331-N339 HydrophobicContact CD2-CB 4.05Å; L331-N339 HydrophobicContact CG-CB 3.92Å |
| 332 | N | 88.6 | Confident | 90 | Very high | 121 Ų | 121 | 68.6 Ų | 68.6 | 65% | 0.647 | 38% | 0.375 | S | S | * | . | trans | -77.8 | 141.4 | 170 | 61.3 | -10.2 | 0 | 0 | 0 | 111 | P308 | P308-N332 HydrophobicContact CB-CB 3.97Š| ||
| 333 | G | 83.8 | Confident | 90.3 | Very high | 21 Ų | 21 | 66.2 Ų | 66.2 | 22% | 0.216 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -173.4 | -171.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | P210 G211 R335 | P210-G333 WeakPolarHBondContact CA-O 3.23Å; G211-G333 PolarHBondContact N-O 2.98Å; G333-R335 VanDerWaalsContact C-N 3.35Å |
| 334 | T | 81.6 | Confident | 90.3 | Very high | 59 Ų | 59 | 63.3 Ų | 63.3 | 36% | 0.362 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -69 | -37.8 | 171.9 | 59.6 | 0 | 0 | 0 | 0 | 111 | G235 T261 N262 | G235-T334 PolarHBondContact O-OG1 3.38Å; T261-T334 CarbonylContact C-O 3.55Å; T261-T334 WeakPolarHBondContact CA-O 3.42Å; N262-T334 PolarHBondContact N-O 3.01Å; N262-T334 VanDerWaalsContact OD1-CA 3.26Å; N262-T334 WeakPolarHBondContact OD1-CA 3.4Å; N262-T334 VanDerWaalsContact OD1-CB 3.29Å; N262-T334 WeakPolarHBondContact OD1-CB 3.46Å; N262-T334 WeakPolarHBondContact OD1-CG2 3.49Å |
| 335 | R | 85.2 | Confident | 90.3 | Very high | 153 Ų | 153 | 61 Ų | 61 | 58% | 0.577 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -127.2 | 121.2 | 162 | -174.3 | 177.4 | -166.6 | -147.8 | 1.9 | 106.7 | P260 T261 G333 | P260-R335 WeakPolarHBondContact O-CG 3.19Å; T261-R335 HydrophobicContact CG2-CB 4.32Å; G333-R335 VanDerWaalsContact C-N 3.35Å |
| 336 | P | 87.1 | Confident | 89.7 | Confident | 11 Ų | 11 | 60.1 Ų | 60.1 | 7% | 0.071 | 33% | 0.325 | C | S | . | . | trans | -59 | 143.6 | 175.9 | -27.8 | 37.2 | 0 | 0 | 0 | 112.5 | L288 P308 L331 | L288-P336 HydrophobicContact CB-CG 3.59Å; L288-P336 HydrophobicContact CD1-CG 4.47Å; P308-P336 HydrophobicContact CG-CB 4.31Å; P308-P336 HydrophobicContact CG-CG 4Å; L331-P336 WeakPolarHBondContact O-CA 3.41Å; L331-P336 WeakPolarHBondContact O-CB 3.3Å | ||
| 337 | S | 90.9 | Very high | 88.9 | Confident | 67 Ų | 67 | 54.9 Ų | 54.9 | 47% | 0.469 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 158 | 175.2 | 67.2 | 0 | 0 | 0 | 0 | 110 | C290 L331 | C290-S337 PolarHBondContact SG-N 3.33Å; L331-S337 WeakPolarHBondContact CB-O 3.36Å; L331-S337 PolarHBondContact N-O 3.29Å |
| 338 | W | 93.3 | Very high | 88.1 | Confident | 37 Ų | 37 | 53.9 Ų | 53.9 | 14% | 0.14 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 154.9 | 167.3 | -60.1 | 105.8 | 0 | 0 | 0 | 110.5 | C290 G291 P293 L306 A312 L328 I329 C330 G340 | C290-W338 HydrophobicContact CB-CD2 4.32Å; C290-W338 HydrophobicContact CB-CZ2 3.78Å; G291-W338 PolarHBondContact O-NE1 2.9Å; P293-W338 HydrophobicContact CG-CZ2 4.26Å; L306-W338 HydrophobicContact CD2-CH2 4.4Å; L306-W338 HydrophobicContact CD2-CZ2 3.87Å; A312-W338 HydrophobicContact CB-CE3 4.39Å; A312-W338 HydrophobicContact CB-CH2 3.73Å; A312-W338 HydrophobicContact CB-CZ2 4.25Å; A312-W338 HydrophobicContact CB-CZ3 3.79Å; L328-W338 HydrophobicContact CB-CB 4.33Å; L328-W338 HydrophobicContact CB-CD2 4.29Å; L328-W338 HydrophobicContact CB-CE3 3.73Å; L328-W338 HydrophobicContact CB-CZ3 4.49Å; L328-W338 HydrophobicContact CD1-CB 4.16Å; L328-W338 HydrophobicContact CD1-CG 4.45Å; I329-W338 VanDerWaalsContact C-CE3 3.44Å; C330-W338 HydrophobicContact CB-CE3 4.16Å; C330-W338 HydrophobicContact CB-CH2 4.08Å; C330-W338 HydrophobicContact CB-CZ3 3.83Å; W338-G340 VanDerWaalsContact C-N 3.29Å; W338-G340 PolarHBondContact O-N 2.84Å |
| 339 | N | 93.7 | Very high | 87.4 | Confident | 61 Ų | 61 | 56.5 Ų | 56.5 | 33% | 0.326 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -74.8 | -15.4 | -178.4 | 67.8 | -61.3 | 0 | 0 | 0 | 114.3 | E325 L328 I329 L331 | E325-N339 PolarHBondContact OE2-ND2 2.96Å; L328-N339 VanDerWaalsContact CA-OD1 3.25Å; L328-N339 WeakPolarHBondContact CA-OD1 3.38Å; L328-N339 WeakPolarHBondContact CB-OD1 3.32Å; L328-N339 WeakPolarHBondContact CD2-OD1 3.35Å; I329-N339 PolarHBondContact N-OD1 3.17Å; I329-N339 PolarHBondContact O-N 2.8Å; I329-N339 VanDerWaalsContact O-N 3.12Å; I329-N339 PolarHBondContact O-OD1 3.34Å; L331-N339 HydrophobicContact CD1-CB 3.88Å; L331-N339 HydrophobicContact CD2-CB 4.05Å; L331-N339 HydrophobicContact CG-CB 3.92Å |
| 340 | G | 89.7 | Confident | 86.8 | Confident | 35 Ų | 35 | 53.6 Ų | 53.6 | 36% | 0.361 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -153.1 | -179.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | W338 | W338-G340 VanDerWaalsContact C-N 3.29Å; W338-G340 PolarHBondContact O-N 2.84Å |
| 341 | E | 91.1 | Very high | 86.5 | Confident | 180 Ų | 180 | 55.6 Ų | 55.6 | 84% | 0.841 | 32% | 0.324 | S | S | * | . | P | Polyproline II helix | trans | -78.2 | 156.7 | 175.9 | -64.3 | 178.6 | 170.9 | 0 | 0 | 111 | ||
| 342 | T | 88.4 | Confident | 86.4 | Confident | 54 Ų | 54 | 55.1 Ų | 55.1 | 33% | 0.331 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 129 | 178.2 | -56.5 | 0 | 0 | 0 | 0 | 110.2 | P294 F314 | P294-T342 HydrophobicContact CG-CG2 4.15Å; F314-T342 HydrophobicContact CD1-CG2 4.32Å; F314-T342 HydrophobicContact CE1-CG2 3.63Å; F314-T342 HydrophobicContact CZ-CG2 4.08Å |
| 343 | P | 92.2 | Very high | 86.5 | Confident | 6 Ų | 6 | 51.8 Ų | 51.8 | 4% | 0.039 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 154.1 | 179 | 30.8 | -38.5 | 0 | 0 | 0 | 112 | F314 L322 Q323 E325 | F314-P343 HydrophobicContact CB-CG 3.72Å; F314-P343 HydrophobicContact CD1-CG 3.95Å; F314-P343 HydrophobicContact CD2-CG 3.74Å; F314-P343 HydrophobicContact CE2-CG 4.36Å; F314-P343 HydrophobicContact CG-CG 3.51Å; L322-P343 HydrophobicContact CD1-CB 3.73Å; L322-P343 HydrophobicContact CD1-CG 3.83Å; L322-P343 HydrophobicContact CD2-CB 4.17Å; L322-P343 HydrophobicContact CD2-CG 4.23Å; L322-P343 HydrophobicContact CG-CB 3.87Å; L322-P343 HydrophobicContact CG-CG 4.28Å; Q323-P343 WeakPolarHBondContact O-CA 3.29Å; Q323-P343 WeakPolarHBondContact O-CB 3.26Å; E325-P343 WeakPolarHBondContact O-CG 3.32Å |
| 344 | S | 89.4 | Confident | 86.8 | Confident | 48 Ų | 48 | 56.6 Ų | 56.6 | 34% | 0.336 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 150.2 | 173.4 | 57.2 | 0 | 0 | 0 | 0 | 111.1 | Q323 | Q323-S344 PolarHBondContact N-O 3.22Å; Q323-S344 PolarHBondContact O-N 3.49Å; Q323-S344 PolarHBondContact OE1-OG 2.64Å |
| 345 | C | 87.2 | Confident | 87.2 | Confident | 13 Ų | 13 | 59.6 Ų | 59.6 | 9% | 0.088 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 114.7 | 168.7 | -69.6 | 0 | 0 | 0 | 0 | 108.7 | A297 H298 C316 Y320 | A297-C345 WeakPolarHBondContact O-CB 3.42Å; H298-C345 WeakPolarHBondContact O-CB 3.43Å; C316-C345 WeakPolarHBondContact CA-SG 3.48Å; C316-C345 HydrophobicContact CB-CB 3.77Å; C316-C345 WeakPolarHBondContact CB-SG 3.13Å; C316-C345 VanDerWaalsContact SG-CA 3.58Å; C316-C345 WeakPolarHBondContact SG-CB 3.46Å; C316-C345 CovalentContact SG-SG 2.04Å; C316-C345 PolarHBondContact SG-SG 2.93Å; Y320-C345 HydrophobicContact CD1-CB 4.45Å |
| 346 | M | 80.1 | Confident | 87.4 | Confident | 74 Ų | 74 | 52.5 Ų | 52.5 | 37% | 0.365 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 135 | -179.2 | -65.6 | -159.1 | -55.8 | 0 | 0 | 111.6 | Y320 Q321 Q323 S348 | Y320-M346 CarbonylContact C-O 3.58Å; Y320-M346 VanDerWaalsContact CA-O 3.31Å; Y320-M346 WeakPolarHBondContact CA-O 3.45Å; Q321-M346 PolarHBondContact N-O 2.91Å; Q321-M346 PolarHBondContact O-N 3.32Å; Q323-M346 HydrophobicContact CB-CE 4.2Å; Q323-M346 HydrophobicContact CG-CE 4.32Å; Q323-M346 PolarHBondContact OE1-SD 3.24Å; Q323-M346 VanDerWaalsContact OE1-SD 3.4Å; M346-S348 PolarHBondContact O-N 3.39Å |
| 347 | A | 77.1 | Confident | 87.6 | Confident | 14 Ų | 14 | 56 Ų | 56 | 12% | 0.116 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 128.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y320 C349 V362 | Y320-A347 HydrophobicContact CD1-CB 4.04Å; Y320-A347 VanDerWaalsContact CD1-N 3.34Å; Y320-A347 HydrophobicContact CE1-CB 3.85Å; A347-C349 PolarHBondContact O-N 2.03Å; A347-V362 HydrophobicContact CB-CB 3.97Å; A347-V362 HydrophobicContact CB-CG2 3.45Å; A347-V362 VanDerWaalsContact CB-CG2 3.45Å |
| 348 | S | 77.4 | Confident | 87.5 | Confident | 23 Ų | 23 | 58.2 Ų | 58.2 | 16% | 0.161 | 34% | 0.338 | C | S | . | . | trans | -85.5 | 114.7 | -175.9 | 57.7 | 0 | 0 | 0 | 0 | 112.6 | G319 M346 G350 W378 | G319-S348 PolarHBondContact O-N 2.83Å; G319-S348 VanDerWaalsContact O-N 3.07Å; G319-S348 PolarHBondContact O-OG 2.92Å; M346-S348 PolarHBondContact O-N 3.39Å; S348-G350 PolarHBondContact O-N 2.95Å; S348-W378 PolarHBondContact O-NE1 3.05Å | ||
| 349 | C | 79.3 | Confident | 87.3 | Confident | 55 Ų | 55 | 56.7 Ų | 56.7 | 37% | 0.372 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -72.3 | 84.1 | 176 | -173.6 | 0 | 0 | 0 | 0 | 112.2 | A347 P364 C376 | A347-C349 PolarHBondContact O-N 2.03Å; C349-P364 HydrophobicContact CB-CG 3.65Å; C349-C376 WeakPolarHBondContact CA-SG 3.45Å; C349-C376 HydrophobicContact CB-CB 4.06Å; C349-C376 WeakPolarHBondContact CB-SG 3.46Å; C349-C376 WeakPolarHBondContact SG-CA 3.47Å; C349-C376 WeakPolarHBondContact SG-CB 3.03Å; C349-C376 CovalentContact SG-SG 2.04Å; C349-C376 PolarHBondContact SG-SG 3.33Å |
| 350 | G | 82.4 | Confident | 87 | Confident | 13 Ų | 13 | 57.4 Ų | 57.4 | 13% | 0.134 | 33% | 0.332 | C | S | . | . | S | Bend | trans | 84.8 | -178.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | S348 R377 W378 | S348-G350 PolarHBondContact O-N 2.95Å; G350-R377 CarbonylContact C-O 3.47Å; G350-R377 VanDerWaalsContact CA-C 3.47Å; G350-R377 WeakPolarHBondContact CA-O 3.48Å; G350-W378 VanDerWaalsContact CA-CD1 3.46Å; G350-W378 VanDerWaalsContact N-NE1 3.13Å |
| 351 | G | 86.9 | Confident | 87 | Confident | 42 Ų | 42 | 55.8 Ų | 55.8 | 43% | 0.433 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 128.4 | 176.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | R377 W378 V379 | G351-R377 PolarHBondContact N-O 2.83Å; G351-W378 CarbonylContact O-C 3.6Å; G351-W378 WeakPolarHBondContact O-CA 3.2Å; G351-V379 PolarHBondContact O-N 3.01Å |
| 352 | T | 89.5 | Confident | 86.8 | Confident | 71 Ų | 71 | 47.5 Ų | 47.5 | 44% | 0.436 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 128.8 | 178.1 | -53.5 | 0 | 0 | 0 | 0 | 111.1 | H354 V379 E381 | T352-H354 WeakPolarHBondContact CG2-CE1 3.09Å; T352-V379 CarbonylContact C-O 3.46Å; T352-V379 VanDerWaalsContact CA-O 3.31Å; T352-V379 WeakPolarHBondContact CA-O 3.48Å; T352-V379 HydrophobicContact CG2-CB 4.04Å; T352-V379 HydrophobicContact CG2-CG1 4.26Å; T352-E381 HydrophobicContact CG2-CG 4.44Å |
| 353 | I | 90.4 | Very high | 86.6 | Confident | 51 Ų | 51 | 45.4 Ų | 45.4 | 26% | 0.262 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 96 | 177.6 | -55.1 | 179.7 | 0 | 0 | 0 | 107.8 | A356 I361 V379 E381 F456 | I353-A356 HydrophobicContact CG2-CB 4.28Å; I353-I361 HydrophobicContact CD1-CG2 3.79Å; I353-V379 PolarHBondContact N-O 2.93Å; I353-E381 PolarHBondContact O-N 2.92Å; I353-F456 HydrophobicContact CD1-CE1 3.6Å; I353-F456 HydrophobicContact CD1-CZ 3.68Å; I353-F456 HydrophobicContact CG2-CE2 4.32Å; I353-F456 HydrophobicContact CG2-CZ 3.95Å |
| 354 | H | 90.3 | Very high | 86 | Confident | 122 Ų | 122 | 45.8 Ų | 45.8 | 57% | 0.565 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 144 | 177.9 | -56.5 | -71.2 | 0 | 0 | 0 | 111.9 | T352 A356 E381 | T352-H354 WeakPolarHBondContact CG2-CE1 3.09Å; H354-A356 VanDerWaalsContact C-N 3.32Å; H354-A356 PolarHBondContact O-N 3.1Å; H354-E381 CarbonylContact C-O 3.4Å; H354-E381 IonicContact CE1-OE2 3.49Å; H354-E381 PolarHBondContact CE1-OE2 3.31Å; H354-E381 IonicContact CG-OE2 2.69Å; H354-E381 IonicContact ND1-OE2 3.85Å; H354-E381 PolarHBondContact ND1-OE2 2.81Å |
| 355 | N | 89.8 | Confident | 85.1 | Confident | 122 Ų | 122 | 49 Ų | 49 | 65% | 0.652 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 54.7 | 44.7 | -176.7 | -56.8 | -73.2 | 0 | 0 | 0 | 113 | E381 | N355-E381 CarbonylContact C-O 3.59Å; N355-E381 WeakPolarHBondContact CA-O 3.23Å; N355-E381 PolarHBondContact N-O 2.87Å |
| 356 | A | 89.6 | Confident | 83.7 | Confident | 3 Ų | 3 | 51.3 Ų | 51.3 | 3% | 0.025 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.1 | 140.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I353 H354 I380 E381 L388 F456 A458 | I353-A356 HydrophobicContact CG2-CB 4.28Å; H354-A356 VanDerWaalsContact C-N 3.32Å; H354-A356 PolarHBondContact O-N 3.1Å; A356-I380 HydrophobicContact CB-CG2 3.61Å; A356-E381 PolarHBondContact N-O 3.08Å; A356-L388 HydrophobicContact CB-CD2 4.12Å; A356-F456 HydrophobicContact CB-CD2 4.15Å; A356-F456 HydrophobicContact CB-CE2 3.8Å; A356-A458 WeakPolarHBondContact O-CB 3.48Å |
| 357 | T | 90.4 | Very high | 82.5 | Confident | 85 Ų | 85 | 51.4 Ų | 51.4 | 52% | 0.521 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -135.1 | -56.6 | 177.9 | 49.4 | 0 | 0 | 0 | 0 | 110.6 | E457 A458 | T357-E457 CarbonylContact O-C 3.6Å; T357-E457 WeakPolarHBondContact O-CA 3.04Å; T357-A458 PolarHBondContact O-N 2.88Å |
| 358 | L | 89.5 | Confident | 81.5 | Confident | 113 Ų | 113 | 52.9 Ų | 52.9 | 59% | 0.592 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 142.2 | 169.8 | 176.8 | 65.8 | 0 | 0 | 0 | 108.1 | R455 F456 E457 | L358-R455 HydrophobicContact CD1-CG 4.44Å; L358-F456 CarbonylContact C-O 3.51Å; L358-F456 WeakPolarHBondContact CA-O 3.42Å; L358-E457 HydrophobicContact CD1-CB 3.9Å |
| 359 | G | 88.6 | Confident | 80.3 | Confident | 6 Ų | 6 | 53.5 Ų | 53.5 | 6% | 0.062 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.4 | -169 | 174 | 0 | 0 | 0 | 0 | 0 | 113.5 | R455 F456 | G359-R455 CarbonylContact O-C 3.49Å; G359-R455 WeakPolarHBondContact O-CA 3.15Å; G359-R455 WeakPolarHBondContact O-CG 3.49Å; G359-F456 VanDerWaalsContact C-CE1 3.4Å; G359-F456 PolarHBondContact N-O 2.95Å; G359-F456 PolarHBondContact O-N 3.42Å |
| 360 | R | 87.8 | Confident | 79 | Confident | 75 Ų | 75 | 58.6 Ų | 58.6 | 28% | 0.283 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 146.5 | -176.6 | 175.7 | -165.2 | -62.9 | -89.6 | -22.2 | 109.7 | S318 G319 V362 E393 S453 L454 | S318-R360 CarbonylContact C-O 3.51Å; S318-R360 WeakPolarHBondContact O-CB 3.47Å; S318-R360 PolarHBondContact OG-N 3.08Å; G319-R360 WeakPolarHBondContact CA-O 3.03Å; G319-R360 PolarHBondContact N-O 2.88Å; R360-V362 HydrophobicContact CG-CG1 4.12Å; R360-E393 IonicContact CZ-OE1 2.68Å; R360-E393 IonicContact CZ-OE2 3.9Å; R360-E393 IonicContact NE-OE2 3.54Å; R360-E393 IonicContact NH1-OE2 2.74Å; R360-E393 PolarHBondContact NH1-OE2 2.91Å; R360-E393 VanDerWaalsContact NH2-CD 3.32Å; R360-E393 IonicContact NH2-OE1 3.4Å; R360-E393 PolarHBondContact NH2-OE1 3.06Å; R360-E393 IonicContact NH2-OE2 3.27Å; R360-E393 PolarHBondContact NH2-OE2 2.83Å; R360-S453 PolarHBondContact NH1-OG 2.84Å; R360-S453 VanDerWaalsContact NH1-OG 3.08Å; R360-L454 CarbonylContact C-O 3.59Å; R360-L454 VanDerWaalsContact CA-O 3.31Å; R360-L454 WeakPolarHBondContact CA-O 3.33Å |
| 361 | I | 90.4 | Very high | 77.8 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.01 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 146.8 | 164.9 | 59.3 | 172 | 0 | 0 | 0 | 109.2 | I353 W378 I380 V439 L454 F456 | I353-I361 HydrophobicContact CD1-CG2 3.79Å; I361-W378 HydrophobicContact CB-CD2 4.32Å; I361-W378 HydrophobicContact CB-CG 4.24Å; I361-W378 HydrophobicContact CD1-CB 4.03Å; I361-W378 HydrophobicContact CD1-CD2 3.84Å; I361-W378 HydrophobicContact CD1-CE3 3.99Å; I361-W378 HydrophobicContact CD1-CG 3.88Å; I361-W378 HydrophobicContact CG2-CB 4.47Å; I361-W378 HydrophobicContact CG2-CG 4.04Å; I361-I380 HydrophobicContact CD1-CD1 4.36Å; I361-V439 HydrophobicContact CD1-CB 4.23Å; I361-V439 HydrophobicContact CD1-CG1 4.14Å; I361-V439 HydrophobicContact CD1-CG2 4.22Å; I361-L454 HydrophobicContact CD1-CB 4.37Å; I361-L454 HydrophobicContact CD1-CD1 4.15Å; I361-L454 HydrophobicContact CG1-CB 3.86Å; I361-L454 HydrophobicContact CG1-CD1 4.47Å; I361-L454 PolarHBondContact N-O 2.03Å; I361-L454 PolarHBondContact O-N 3.41Å; I361-F456 HydrophobicContact CG2-CD1 4.35Å; I361-F456 HydrophobicContact CG2-CE1 4.09Å |
| 362 | V | 86.6 | Confident | 76.6 | Confident | 5 Ų | 5 | 62.6 Ų | 62.6 | 3% | 0.03 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 140.4 | -169.9 | -86.5 | 0 | 0 | 0 | 0 | 110.3 | G319 Y320 A347 R360 W378 L452 S453 | G319-V362 WeakPolarHBondContact O-CG2 3.4Å; Y320-V362 HydrophobicContact CD2-CG2 3.98Å; Y320-V362 HydrophobicContact CE1-CG2 4.36Å; Y320-V362 HydrophobicContact CE2-CB 4.4Å; Y320-V362 HydrophobicContact CE2-CG1 4.14Å; Y320-V362 HydrophobicContact CE2-CG2 3.59Å; A347-V362 HydrophobicContact CB-CB 3.97Å; A347-V362 HydrophobicContact CB-CG2 3.45Å; A347-V362 VanDerWaalsContact CB-CG2 3.45Å; R360-V362 HydrophobicContact CG-CG1 4.12Å; V362-W378 WeakPolarHBondContact O-CZ2 3.45Å; V362-L452 WeakPolarHBondContact CA-O 3.42Å; V362-S453 WeakPolarHBondContact CG1-OG 3.42Å |
| 363 | S | 84.4 | Confident | 75.7 | Confident | 11 Ų | 11 | 63.4 Ų | 63.4 | 8% | 0.077 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -68 | 143.3 | 167.5 | 53.7 | 0 | 0 | 0 | 0 | 111 | L452 | S363-L452 PolarHBondContact N-O 3.49Å; S363-L452 PolarHBondContact OG-N 3.23Å; S363-L452 PolarHBondContact OG-O 2.85Å |
| 364 | P | 79.1 | Confident | 75.2 | Confident | 14 Ų | 14 | 61.3 Ų | 61.3 | 9% | 0.091 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -56.5 | 149.8 | 165.2 | -21.9 | 32.2 | 0 | 0 | 0 | 113 | C349 A369 L374 | C349-P364 HydrophobicContact CB-CG 3.65Å; P364-A369 HydrophobicContact CB-CB 4.45Å; P364-L374 HydrophobicContact CG-CD1 4.13Å |
| 365 | E | 71.1 | Confident | 75 | Confident | 116 Ų | 116 | 58.8 Ų | 58.8 | 54% | 0.542 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -74.3 | 151.4 | 170.3 | -62.1 | -171 | 152.1 | 0 | 0 | 111.6 | G367 G368 | E365-G367 PolarHBondContact O-N 2.85Å; E365-G368 PolarHBondContact O-N 3.26Å |
| 366 | P | 56.4 | Low | 74.9 | Confident | 60 Ų | 60 | 53 Ų | 53 | 39% | 0.39 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 106.4 | 172.4 | -27.2 | 36.3 | 0 | 0 | 0 | 112.3 | P446 N448 | P366-P446 WeakPolarHBondContact CB-O 3.34Å; P366-P446 VanDerWaalsContact CG-O 3.29Å; P366-P446 WeakPolarHBondContact CG-O 3.47Å; P366-N448 WeakPolarHBondContact CG-O 3.47Å |
| 367 | G | 56.1 | Low | 75 | Confident | 76 Ų | 76 | 57.7 Ų | 57.7 | 78% | 0.784 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 121 | -23.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | E365 | E365-G367 PolarHBondContact O-N 2.85Š|
| 368 | G | 55 | Low | 75.2 | Confident | 46 Ų | 46 | 53.8 Ų | 53.8 | 47% | 0.474 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -27.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | E365 | E365-G368 PolarHBondContact O-N 3.26Š|
| 369 | A | 53.1 | Low | 75.4 | Confident | 36 Ų | 36 | 49.3 Ų | 49.3 | 30% | 0.298 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -90.8 | 123.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | P364 G371 L374 | P364-A369 HydrophobicContact CB-CB 4.45Å; A369-G371 PolarHBondContact O-N 2.91Å; A369-G371 VanDerWaalsContact O-N 3.12Å; A369-L374 HydrophobicContact CB-CD1 3.77Å |
| 370 | V | 51.1 | Low | 75.7 | Confident | 161 Ų | 161 | 49 Ų | 49 | 98% | 0.976 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -86.3 | 77 | 176.2 | -173.9 | 0 | 0 | 0 | 0 | 110.2 | ||
| 371 | G | 57.1 | Low | 76 | Confident | 39 Ų | 39 | 48.8 Ų | 48.8 | 40% | 0.402 | 31% | 0.309 | S | S | . | . | S | Bend | trans | 176.5 | 157.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | A369 | A369-G371 PolarHBondContact O-N 2.91Å; A369-G371 VanDerWaalsContact O-N 3.12Å |
| 372 | P | 61.6 | Low | 76.2 | Confident | 101 Ų | 101 | 49.1 Ų | 49.1 | 66% | 0.656 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -68.8 | -45.3 | 170.8 | 26.2 | -30.3 | 0 | 0 | 0 | 111.3 | P446 | P372-P446 WeakPolarHBondContact O-CD 3.42Š|
| 373 | N | 72.1 | Confident | 76.4 | Confident | 87 Ų | 87 | 50.4 Ų | 50.4 | 47% | 0.465 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -96.2 | 134.7 | 178.3 | -53 | 70.7 | 0 | 0 | 0 | 110.5 | S443 | N373-S443 CarbonylContact C-O 3.44Å; N373-S443 WeakPolarHBondContact CA-O 3.23Å |
| 374 | L | 78.8 | Confident | 76.6 | Confident | 7 Ų | 7 | 58.5 Ų | 58.5 | 4% | 0.037 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 126.8 | 175.1 | 179.8 | 73.4 | 0 | 0 | 0 | 109.3 | P364 A369 L441 S443 P446 L451 | P364-L374 HydrophobicContact CG-CD1 4.13Å; A369-L374 HydrophobicContact CB-CD1 3.77Å; L374-L441 HydrophobicContact CD2-CD2 4.5Å; L374-S443 PolarHBondContact N-O 3.46Å; L374-S443 PolarHBondContact O-N 2.86Å; L374-P446 HydrophobicContact CB-CG 4.44Å; L374-L451 HydrophobicContact CD2-CD1 4.33Å |
| 375 | T | 86.3 | Confident | 76.9 | Confident | 69 Ų | 69 | 60.1 Ų | 60.1 | 42% | 0.423 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 101.8 | 172.3 | 74.9 | 0 | 0 | 0 | 0 | 110.6 | R377 L441 L442 | T375-R377 PolarHBondContact OG1-NH1 2.04Å; T375-L441 CarbonylContact C-O 3.47Å; T375-L441 WeakPolarHBondContact CA-O 3.02Å; T375-L442 HydrophobicContact CG2-CD2 3.7Å |
| 376 | C | 88.3 | Confident | 77.9 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 136.2 | -178.8 | -53.4 | 0 | 0 | 0 | 0 | 110.6 | C349 W378 E440 L441 | C349-C376 WeakPolarHBondContact CA-SG 3.45Å; C349-C376 HydrophobicContact CB-CB 4.06Å; C349-C376 WeakPolarHBondContact CB-SG 3.46Å; C349-C376 WeakPolarHBondContact SG-CA 3.47Å; C349-C376 WeakPolarHBondContact SG-CB 3.03Å; C349-C376 CovalentContact SG-SG 2.04Å; C349-C376 PolarHBondContact SG-SG 3.33Å; C376-W378 HydrophobicContact CB-CE3 4.16Å; C376-W378 HydrophobicContact CB-CH2 3.22Å; C376-W378 HydrophobicContact CB-CZ2 3.59Å; C376-W378 HydrophobicContact CB-CZ3 3.53Å; C376-E440 WeakPolarHBondContact O-CA 3.06Å; C376-L441 HydrophobicContact CB-CB 4.43Å; C376-L441 PolarHBondContact N-O 3.03Å; C376-L441 PolarHBondContact O-N 2.78Å |
| 377 | R | 91.7 | Very high | 79.5 | Confident | 102 Ų | 102 | 58 Ų | 58 | 39% | 0.385 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 103.9 | -175.4 | -70.1 | 172.7 | 178.2 | 92.7 | 12.6 | 109.9 | G350 G351 T375 Y438 V439 E440 | G350-R377 CarbonylContact C-O 3.47Å; G350-R377 VanDerWaalsContact CA-C 3.47Å; G350-R377 WeakPolarHBondContact CA-O 3.48Å; G351-R377 PolarHBondContact N-O 2.83Å; T375-R377 PolarHBondContact OG1-NH1 2.04Å; R377-Y438 WeakPolarHBondContact CD-OH 3.36Å; R377-V439 CarbonylContact C-O 3.56Å; R377-V439 WeakPolarHBondContact CA-O 3.49Å; R377-E440 HydrophobicContact CG-CG 4.1Å; R377-E440 IonicContact CZ-OE1 3.12Å; R377-E440 IonicContact NE-OE1 3.3Å; R377-E440 PolarHBondContact NE-OE1 3.17Å; R377-E440 IonicContact NH2-OE1 2.7Å; R377-E440 PolarHBondContact NH2-OE1 3.43Å |
| 378 | W | 93.4 | Very high | 81.3 | Confident | 3 Ų | 3 | 54.4 Ų | 54.4 | 1% | 0.011 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 136 | 178.3 | -57.4 | -91.5 | 0 | 0 | 0 | 110.4 | S348 G350 G351 I361 V362 C376 V439 L441 L452 | S348-W378 PolarHBondContact O-NE1 3.05Å; G350-W378 VanDerWaalsContact CA-CD1 3.46Å; G350-W378 VanDerWaalsContact N-NE1 3.13Å; G351-W378 CarbonylContact O-C 3.6Å; G351-W378 WeakPolarHBondContact O-CA 3.2Å; I361-W378 HydrophobicContact CB-CD2 4.32Å; I361-W378 HydrophobicContact CB-CG 4.24Å; I361-W378 HydrophobicContact CD1-CB 4.03Å; I361-W378 HydrophobicContact CD1-CD2 3.84Å; I361-W378 HydrophobicContact CD1-CE3 3.99Å; I361-W378 HydrophobicContact CD1-CG 3.88Å; I361-W378 HydrophobicContact CG2-CB 4.47Å; I361-W378 HydrophobicContact CG2-CG 4.04Å; V362-W378 WeakPolarHBondContact O-CZ2 3.45Å; C376-W378 HydrophobicContact CB-CE3 4.16Å; C376-W378 HydrophobicContact CB-CH2 3.22Å; C376-W378 HydrophobicContact CB-CZ2 3.59Å; C376-W378 HydrophobicContact CB-CZ3 3.53Å; W378-V439 HydrophobicContact CB-CB 4.43Å; W378-V439 HydrophobicContact CE3-CB 4.23Å; W378-V439 HydrophobicContact CE3-CG1 4Å; W378-V439 HydrophobicContact CZ3-CG1 4.4Å; W378-V439 PolarHBondContact N-O 3.44Å; W378-V439 PolarHBondContact O-N 3.04Å; W378-L441 HydrophobicContact CH2-CB 4.28Å; W378-L441 HydrophobicContact CH2-CD2 4.3Å; W378-L441 HydrophobicContact CZ3-CB 3.84Å; W378-L452 HydrophobicContact CZ3-CD2 4.35Å |
| 379 | V | 94.4 | Very high | 83.1 | Confident | 19 Ų | 19 | 52.3 Ų | 52.3 | 12% | 0.115 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 116.8 | 170.5 | -172.9 | 0 | 0 | 0 | 0 | 107.5 | G351 T352 I353 E381 L437 Y438 | G351-V379 PolarHBondContact O-N 3.01Å; T352-V379 CarbonylContact C-O 3.46Å; T352-V379 VanDerWaalsContact CA-O 3.31Å; T352-V379 WeakPolarHBondContact CA-O 3.48Å; T352-V379 HydrophobicContact CG2-CB 4.04Å; T352-V379 HydrophobicContact CG2-CG1 4.26Å; I353-V379 PolarHBondContact N-O 2.93Å; V379-E381 HydrophobicContact CG1-CG 4.08Å; V379-L437 WeakPolarHBondContact CA-O 3.49Å; V379-Y438 HydrophobicContact CG2-CD2 3.86Å; V379-Y438 HydrophobicContact CG2-CE2 4.24Å |
| 380 | I | 94.7 | Very high | 84.9 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 125.2 | 179.9 | -50.2 | 173.1 | 0 | 0 | 0 | 106.7 | A356 I361 L388 L390 S436 L437 F456 | A356-I380 HydrophobicContact CB-CG2 3.61Å; I361-I380 HydrophobicContact CD1-CD1 4.36Å; I380-L388 HydrophobicContact CB-CD1 3.99Å; I380-L388 HydrophobicContact CG2-CD1 3.74Å; I380-L388 HydrophobicContact CG2-CD2 3.83Å; I380-L388 HydrophobicContact CG2-CG 4.47Å; I380-L390 HydrophobicContact CD1-CD1 4.34Å; I380-S436 CarbonylContact O-C 3.56Å; I380-S436 WeakPolarHBondContact O-CA 3.47Å; I380-S436 WeakPolarHBondContact O-CB 3.34Å; I380-L437 HydrophobicContact CB-CB 4.42Å; I380-L437 PolarHBondContact N-O 3.48Å; I380-L437 PolarHBondContact O-N 2.04Å; I380-F456 HydrophobicContact CD1-CB 3.99Å; I380-F456 HydrophobicContact CD1-CD1 3.83Å; I380-F456 HydrophobicContact CD1-CG 3.91Å; I380-F456 HydrophobicContact CG2-CD2 3.84Å; I380-F456 HydrophobicContact CG2-CE2 4.15Å; I380-F456 HydrophobicContact CG2-CG 4.12Å |
| 381 | E | 94 | Very high | 86.7 | Confident | 70 Ų | 70 | 44.1 Ų | 44.1 | 33% | 0.327 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 112.2 | -177.9 | -59.6 | -178.2 | 164.2 | 0 | 0 | 109.8 | T352 I353 H354 N355 A356 V379 | T352-E381 HydrophobicContact CG2-CG 4.44Å; I353-E381 PolarHBondContact O-N 2.92Å; H354-E381 CarbonylContact C-O 3.4Å; H354-E381 IonicContact CE1-OE2 3.49Å; H354-E381 PolarHBondContact CE1-OE2 3.31Å; H354-E381 IonicContact CG-OE2 2.69Å; H354-E381 IonicContact ND1-OE2 3.85Å; H354-E381 PolarHBondContact ND1-OE2 2.81Å; N355-E381 CarbonylContact C-O 3.59Å; N355-E381 WeakPolarHBondContact CA-O 3.23Å; N355-E381 PolarHBondContact N-O 2.87Å; A356-E381 PolarHBondContact N-O 3.08Å; V379-E381 HydrophobicContact CG1-CG 4.08Å |
| 382 | A | 94.2 | Very high | 88.2 | Confident | 9 Ų | 9 | 43.3 Ų | 43.3 | 7% | 0.074 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 173.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | R386 L388 Q435 A458 | A382-R386 HydrophobicContact CB-CB 3.94Å; A382-L388 HydrophobicContact CB-CD2 4.12Å; A382-L388 HydrophobicContact CB-CG 4.15Å; A382-Q435 PolarHBondContact N-O 2.83Å; A382-A458 HydrophobicContact CB-CB 3.79Å |
| 383 | A | 91.9 | Very high | 89.3 | Confident | 32 Ų | 32 | 40.8 Ų | 40.8 | 26% | 0.264 | 21% | 0.209 | S | C | . | . | P | Polyproline II helix | trans | -68.7 | 158.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | G385 R386 | A383-G385 PolarHBondContact O-N 3.26Å; A383-R386 WeakPolarHBondContact O-CB 3.07Å; A383-R386 PolarHBondContact O-N 2.84Å |
| 384 | E | 88.8 | Confident | 89.7 | Confident | 182 Ų | 182 | 43.3 Ų | 43.3 | 85% | 0.85 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 135.6 | 177.1 | -171.7 | 174 | -173.1 | 0 | 0 | 111.4 | ||
| 385 | G | 85.8 | Confident | 90 | Very high | 47 Ų | 47 | 45.3 Ų | 45.3 | 49% | 0.485 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | 10.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | A383 | A383-G385 PolarHBondContact O-N 3.26Š|
| 386 | R | 90.8 | Very high | 89.9 | Confident | 71 Ų | 71 | 44.5 Ų | 44.5 | 27% | 0.268 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 149.3 | 174.5 | -65.8 | -170.4 | 177.9 | 168.9 | -3.1 | 112.8 | A382 A383 Q435 F459 E460 | A382-R386 HydrophobicContact CB-CB 3.94Å; A383-R386 WeakPolarHBondContact O-CB 3.07Å; A383-R386 PolarHBondContact O-N 2.84Å; R386-Q435 VanDerWaalsContact O-CA 3.26Å; R386-Q435 WeakPolarHBondContact O-CA 3.38Å; R386-Q435 WeakPolarHBondContact O-CB 3.46Å; R386-F459 CarbonylContact C-O 3.57Å; R386-F459 WeakPolarHBondContact CA-O 3.19Å; R386-F459 WeakPolarHBondContact CB-O 3.29Å; R386-E460 HydrophobicContact CG-CG 3.68Å; R386-E460 IonicContact CZ-OE1 3.87Å; R386-E460 IonicContact NE-OE1 3.21Å; R386-E460 PolarHBondContact NE-OE1 3.39Å; R386-E460 VanDerWaalsContact NE-OE1 3.13Å; R386-E460 IonicContact NH2-OE1 3.35Å; R386-E460 PolarHBondContact NH2-OE1 3.25Å |
| 387 | R | 91.4 | Very high | 89.7 | Confident | 61 Ų | 61 | 46.2 Ų | 46.2 | 23% | 0.23 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 162.5 | 169 | -64.9 | -177.3 | -178.3 | -157.7 | 10 | 109.3 | S432 A458 F459 E461 | R387-S432 WeakPolarHBondContact CB-O 3.3Å; R387-S432 WeakPolarHBondContact CD-O 3.46Å; R387-S432 WeakPolarHBondContact CG-O 2.98Å; R387-A458 VanDerWaalsContact O-CA 3.31Å; R387-A458 WeakPolarHBondContact O-CA 3.02Å; R387-F459 HydrophobicContact CB-CD1 4.43Å; R387-F459 HydrophobicContact CB-CE1 3.83Å; R387-F459 HydrophobicContact CB-CE2 4.32Å; R387-F459 HydrophobicContact CB-CZ 3.77Å; R387-F459 PolarHBondContact N-O 2.86Å; R387-F459 WeakPolarHBondContact O-CD1 3.45Å; R387-F459 PolarHBondContact O-N 3.38Å; R387-E461 IonicContact CZ-OE1 3.27Å; R387-E461 IonicContact NE-OE1 3.02Å; R387-E461 PolarHBondContact NE-OE1 3.42Å; R387-E461 IonicContact NH2-OE1 2.82Å; R387-E461 PolarHBondContact NH2-OE1 3.49Å |
| 388 | L | 93.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 131.3 | 177.1 | -70.2 | 161.4 | 0 | 0 | 0 | 110.3 | A356 I380 A382 I431 S432 L437 E457 A458 | A356-L388 HydrophobicContact CB-CD2 4.12Å; I380-L388 HydrophobicContact CB-CD1 3.99Å; I380-L388 HydrophobicContact CG2-CD1 3.74Å; I380-L388 HydrophobicContact CG2-CD2 3.83Å; I380-L388 HydrophobicContact CG2-CG 4.47Å; A382-L388 HydrophobicContact CB-CD2 4.12Å; A382-L388 HydrophobicContact CB-CG 4.15Å; L388-I431 CarbonylContact O-C 3.5Å; L388-I431 WeakPolarHBondContact O-CA 3.44Å; L388-S432 WeakPolarHBondContact CB-OG 3.49Å; L388-S432 PolarHBondContact N-OG 3.47Å; L388-S432 PolarHBondContact O-N 3.32Å; L388-S432 PolarHBondContact O-OG 3.03Å; L388-L437 HydrophobicContact CB-CD1 3.67Å; L388-L437 HydrophobicContact CB-CG 4.12Å; L388-L437 HydrophobicContact CD1-CB 4.09Å; L388-L437 HydrophobicContact CD1-CD1 4.11Å; L388-L437 HydrophobicContact CD1-CG 3.92Å; L388-E457 CarbonylContact C-O 3.55Å; L388-E457 VanDerWaalsContact CA-O 3.29Å; L388-E457 WeakPolarHBondContact CA-O 3.41Å; L388-A458 HydrophobicContact CD2-CB 3.82Å |
| 389 | H | 91.8 | Very high | 88.6 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.009 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 138.2 | 161.6 | -178.9 | -117.4 | 0 | 0 | 0 | 108.8 | R428 L430 F456 E457 F459 F465 | H389-R428 PolarHBondContact NE2-O 2.83Å; H389-L430 CarbonylContact C-O 3.59Å; H389-L430 WeakPolarHBondContact CA-O 3.36Å; H389-L430 PolarHBondContact CD2-O 2.95Å; H389-L430 VanDerWaalsContact CD2-O 3.28Å; H389-F456 VanDerWaalsContact O-CA 3.27Å; H389-F456 WeakPolarHBondContact O-CA 3.02Å; H389-E457 HydrophobicContact CB-CG 3.93Å; H389-E457 PolarHBondContact N-O 3.38Å; H389-E457 PolarHBondContact O-N 2.87Å; H389-F459 HydrophobicContact CB-CD1 4.34Å; H389-F459 HydrophobicContact CB-CE1 4.1Å; H389-F465 HydrophobicContact CB-CB 4.15Å; H389-F465 HydrophobicContact CB-CD2 4.34Å; H389-F465 HydrophobicContact CB-CG 4.16Å; H389-F465 AromaticContact CD2-CE2 3.96Å; H389-F465 AromaticContact CD2-CZ 3.99Å; H389-F465 AromaticContact CE1-CD2 3.74Å; H389-F465 AromaticContact CE1-CE2 3.39Å; H389-F465 WeakPolarHBondContact CE1-CE2 3.43Å; H389-F465 AromaticContact CE1-CZ 3.99Å; H389-F465 AromaticContact CG-CD2 3.81Å; H389-F465 AromaticContact ND1-CD2 3.64Å; H389-F465 AromaticContact ND1-CE2 3.8Å; H389-F465 AromaticContact NE2-CE2 3.53Å; H389-F465 AromaticContact NE2-CZ 3.63Å |
| 390 | L | 92.2 | Very high | 88 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 109.6 | -178 | -174.4 | 72.6 | 0 | 0 | 0 | 109.2 | I380 V406 G429 L430 L437 V439 L454 R455 F456 | I380-L390 HydrophobicContact CD1-CD1 4.34Å; L390-V406 HydrophobicContact CD2-CG1 3.81Å; L390-V406 HydrophobicContact CD2-CG2 3.94Å; L390-G429 CarbonylContact O-C 3.54Å; L390-G429 WeakPolarHBondContact O-CA 3.13Å; L390-L430 HydrophobicContact CB-CB 4.49Å; L390-L430 PolarHBondContact N-O 3.18Å; L390-L430 PolarHBondContact O-N 3.34Å; L390-L437 HydrophobicContact CB-CD1 3.93Å; L390-L437 HydrophobicContact CD2-CD1 4.27Å; L390-V439 HydrophobicContact CD2-CG2 4.11Å; L390-L454 HydrophobicContact CD1-CB 3.93Å; L390-L454 HydrophobicContact CD1-CD1 4.31Å; L390-L454 HydrophobicContact CD2-CD1 4.12Å; L390-L454 HydrophobicContact CG-CB 4.49Å; L390-L454 HydrophobicContact CG-CD1 4.4Å; L390-R455 WeakPolarHBondContact CA-O 3.17Å; L390-F456 HydrophobicContact CD1-CB 3.99Å |
| 391 | H | 88.9 | Confident | 87.4 | Confident | 26 Ų | 26 | 62.8 Ų | 62.8 | 12% | 0.12 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 136.9 | -173.5 | 176.7 | 100.6 | 0 | 0 | 0 | 111.4 | L454 R455 F468 | H391-L454 WeakPolarHBondContact O-CA 3.18Å; H391-R455 VanDerWaalsContact CB-NH2 3.26Å; H391-R455 PolarHBondContact CD2-NH1 3.2Å; H391-R455 PolarHBondContact CD2-NH2 2.88Å; H391-R455 PolarHBondContact N-O 3.2Å; H391-R455 PolarHBondContact O-N 2.97Å; H391-F468 AromaticContact CD2-CD1 3.95Å; H391-F468 AromaticContact CE1-CD1 3.66Å; H391-F468 AromaticContact NE2-CD1 3.33Å; H391-F468 VanDerWaalsContact NE2-CD1 3.33Å; H391-F468 WeakPolarHBondContact NE2-CD1 3.28Å; H391-F468 AromaticContact NE2-CE1 3.45Å; H391-F468 WeakPolarHBondContact NE2-CE1 3.42Å |
| 392 | F | 88.7 | Confident | 87.1 | Confident | 22 Ų | 22 | 59.9 Ų | 59.9 | 10% | 0.096 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 98.7 | -171.6 | -66.7 | -111.6 | 0 | 0 | 0 | 110 | V395 L404 V406 Y418 V425 P426 L430 L454 | F392-V395 HydrophobicContact CB-CG2 4.07Å; F392-V395 HydrophobicContact CD1-CG2 3.7Å; F392-V395 HydrophobicContact CG-CG2 4.38Å; F392-L404 HydrophobicContact CE1-CD2 3.88Å; F392-V406 HydrophobicContact CZ-CG2 4.48Å; F392-Y418 HydrophobicContact CE1-CD1 4.41Å; F392-Y418 HydrophobicContact CE1-CE1 4.07Å; F392-Y418 HydrophobicContact CZ-CD1 4.27Å; F392-Y418 HydrophobicContact CZ-CE1 4.36Å; F392-Y418 HydrophobicContact CZ-CG 4.44Å; F392-V425 HydrophobicContact CB-CG1 3.68Å; F392-V425 HydrophobicContact CD1-CG1 3.82Å; F392-V425 HydrophobicContact CG-CG1 3.8Å; F392-P426 HydrophobicContact CD2-CG 4.22Å; F392-P426 HydrophobicContact CE2-CG 3.89Å; F392-P426 HydrophobicContact CZ-CG 4.41Å; F392-L430 HydrophobicContact CE2-CD1 3.7Å; F392-L430 HydrophobicContact CE2-CG 3.88Å; F392-L430 HydrophobicContact CZ-CD1 3.63Å; F392-L430 HydrophobicContact CZ-CG 4.28Å; F392-L454 HydrophobicContact CB-CD2 4.04Å; F392-L454 HydrophobicContact CD1-CD2 3.33Å; F392-L454 HydrophobicContact CD2-CD2 4.25Å; F392-L454 HydrophobicContact CE1-CD2 3.79Å; F392-L454 HydrophobicContact CG-CD2 3.6Å; F392-L454 HydrophobicContact CZ-CD2 4.4Å |
| 393 | E | 83 | Confident | 86.9 | Confident | 48 Ų | 48 | 63.1 Ų | 63.1 | 22% | 0.224 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | -32.2 | -176.7 | -60.3 | 178.2 | 144.7 | 0 | 0 | 112.8 | R360 S453 R455 | R360-E393 IonicContact CZ-OE1 2.68Å; R360-E393 IonicContact CZ-OE2 3.9Å; R360-E393 IonicContact NE-OE2 3.54Å; R360-E393 IonicContact NH1-OE2 2.74Å; R360-E393 PolarHBondContact NH1-OE2 2.91Å; R360-E393 VanDerWaalsContact NH2-CD 3.32Å; R360-E393 IonicContact NH2-OE1 3.4Å; R360-E393 PolarHBondContact NH2-OE1 3.06Å; R360-E393 IonicContact NH2-OE2 3.27Å; R360-E393 PolarHBondContact NH2-OE2 2.83Å; E393-S453 PolarHBondContact N-O 3.39Å; E393-R455 HydrophobicContact CG-CB 4.23Å; E393-R455 IonicContact OE1-CZ 3.51Å; E393-R455 IonicContact OE1-NH1 3.55Å; E393-R455 PolarHBondContact OE1-NH1 3.41Å |
| 394 | R | 82.2 | Confident | 86.9 | Confident | 139 Ų | 139 | 61.6 Ų | 61.6 | 53% | 0.525 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 131.8 | 170.4 | -64.8 | -173.2 | 179 | 139.7 | 4 | 110.2 | L452 S453 | R394-L452 WeakPolarHBondContact O-CA 3.34Å; R394-S453 PolarHBondContact N-O 2.95Å; R394-S453 VanDerWaalsContact N-O 3.12Å; R394-S453 PolarHBondContact O-N 2.88Å |
| 395 | V | 85.2 | Confident | 87.1 | Confident | 50 Ų | 50 | 53.6 Ų | 53.6 | 30% | 0.303 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 125.5 | 170.6 | -170.9 | 0 | 0 | 0 | 0 | 106.4 | F392 L397 V425 L452 | F392-V395 HydrophobicContact CB-CG2 4.07Å; F392-V395 HydrophobicContact CD1-CG2 3.7Å; F392-V395 HydrophobicContact CG-CG2 4.38Å; V395-L397 HydrophobicContact CG1-CD1 3.83Å; V395-L397 HydrophobicContact CG1-CG 3.75Å; V395-V425 HydrophobicContact CB-CG2 4.14Å; V395-V425 HydrophobicContact CG1-CG2 4.01Å; V395-V425 HydrophobicContact CG2-CG1 4.02Å; V395-V425 HydrophobicContact CG2-CG2 4.02Å; V395-L452 HydrophobicContact CG2-CD1 4.35Å |
| 396 | S | 83.8 | Confident | 87.6 | Confident | 52 Ų | 52 | 51.3 Ų | 51.3 | 36% | 0.364 | 24% | 0.244 | S | C | . | . | trans | -146.6 | 46.9 | -178.8 | -173.4 | 0 | 0 | 0 | 0 | 110.5 | N448 L450 L451 | S396-N448 PolarHBondContact O-ND2 2.98Å; S396-N448 VanDerWaalsContact O-ND2 3.09Å; S396-L450 WeakPolarHBondContact CB-O 3.48Å; S396-L451 PolarHBondContact N-O 2.76Å | ||
| 397 | L | 83.4 | Confident | 87.9 | Confident | 35 Ų | 35 | 49.4 Ų | 49.4 | 18% | 0.183 | 24% | 0.237 | C | C | . | . | trans | -74.1 | 146.7 | -179.4 | -54.9 | 176.6 | 0 | 0 | 0 | 110.7 | V395 D402 L404 L441 | V395-L397 HydrophobicContact CG1-CD1 3.83Å; V395-L397 HydrophobicContact CG1-CG 3.75Å; L397-D402 HydrophobicContact CB-CB 3.9Å; L397-D402 HydrophobicContact CD2-CB 4.14Å; L397-L404 HydrophobicContact CD1-CB 3.68Å; L397-L404 HydrophobicContact CD1-CD2 4.48Å; L397-L441 HydrophobicContact CD2-CD1 3.64Å | ||
| 398 | D | 82.9 | Confident | 88 | Confident | 54 Ų | 54 | 46.9 Ų | 46.9 | 29% | 0.289 | 23% | 0.229 | S | C | . | . | trans | -81.1 | 116.1 | 166.3 | -176.3 | -25.8 | 0 | 0 | 0 | 110.2 | D400 N401 D402 | D398-D400 PolarHBondContact O-N 3.23Å; D398-D400 VanDerWaalsContact O-N 3.13Å; D398-D400 PolarHBondContact OD1-N 2.92Å; D398-N401 HydrophobicContact CB-CB 4.15Å; D398-N401 VanDerWaalsContact CG-ND2 3.28Å; D398-N401 PolarHBondContact O-N 3.41Å; D398-N401 VanDerWaalsContact O-N 3.11Å; D398-N401 PolarHBondContact OD1-ND2 2.92Å; D398-N401 PolarHBondContact OD2-ND2 2.79Å; D398-D402 HydrophobicContact CB-CB 4.39Å; D398-D402 PolarHBondContact N-OD2 2.88Å; D398-D402 WeakPolarHBondContact O-CB 3.49Å; D398-D402 PolarHBondContact O-N 2.93Å | ||
| 399 | E | 80 | Confident | 88 | Confident | 196 Ų | 196 | 47.2 Ų | 47.2 | 92% | 0.916 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -24.9 | -176.6 | -64.6 | 175.9 | -173.8 | 0 | 0 | 114.3 | ||
| 400 | D | 81.5 | Confident | 88 | Confident | 155 Ų | 155 | 48.6 Ų | 48.6 | 83% | 0.829 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94 | -21.8 | 178.5 | -83.6 | -44.6 | 0 | 0 | 0 | 113 | D398 | D398-D400 PolarHBondContact O-N 3.23Å; D398-D400 VanDerWaalsContact O-N 3.13Å; D398-D400 PolarHBondContact OD1-N 2.92Å |
| 401 | N | 81.4 | Confident | 87.9 | Confident | 67 Ų | 67 | 50.6 Ų | 50.6 | 36% | 0.358 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.6 | -13.9 | -164.7 | -60.6 | -68.5 | 0 | 0 | 0 | 115.9 | D398 E444 | D398-N401 HydrophobicContact CB-CB 4.15Å; D398-N401 VanDerWaalsContact CG-ND2 3.28Å; D398-N401 PolarHBondContact O-N 3.41Å; D398-N401 VanDerWaalsContact O-N 3.11Å; D398-N401 PolarHBondContact OD1-ND2 2.92Å; D398-N401 PolarHBondContact OD2-ND2 2.79Å; N401-E444 PolarHBondContact O-N 3.18Å |
| 402 | D | 87.3 | Confident | 88 | Confident | 10 Ų | 10 | 52.8 Ų | 52.8 | 5% | 0.053 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 142.7 | -176.1 | -61.5 | -23.8 | 0 | 0 | 0 | 111.6 | L397 D398 L442 S443 L451 | L397-D402 HydrophobicContact CB-CB 3.9Å; L397-D402 HydrophobicContact CD2-CB 4.14Å; D398-D402 HydrophobicContact CB-CB 4.39Å; D398-D402 PolarHBondContact N-OD2 2.88Å; D398-D402 WeakPolarHBondContact O-CB 3.49Å; D398-D402 PolarHBondContact O-N 2.93Å; D402-L442 CarbonylContact C-O 3.55Å; D402-L442 WeakPolarHBondContact CA-O 3.37Å; D402-S443 VanDerWaalsContact OD1-CA 3.26Å; D402-S443 WeakPolarHBondContact OD1-CA 3.49Å; D402-S443 WeakPolarHBondContact OD1-CB 3.44Å; D402-S443 PolarHBondContact OD1-OG 2.96Å; D402-L451 WeakPolarHBondContact OD2-CD2 3.41Å |
| 403 | R | 89.9 | Confident | 88.2 | Confident | 76 Ų | 76 | 59.7 Ų | 59.7 | 29% | 0.287 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 133.6 | 177.6 | 179.3 | 174.4 | -173.6 | 156.2 | 5.6 | 113 | M405 D419 S420 D421 L441 L442 | R403-M405 HydrophobicContact CG-CE 4.31Å; R403-M405 HydrophobicContact CG-CG 4.26Å; R403-D419 IonicContact CZ-OD1 3.47Å; R403-D419 VanDerWaalsContact CZ-OD1 3.27Å; R403-D419 IonicContact CZ-OD2 3.7Å; R403-D419 IonicContact NE-OD1 3.36Å; R403-D419 PolarHBondContact NE-OD1 3.38Å; R403-D419 IonicContact NE-OD2 2.64Å; R403-D419 IonicContact NH2-OD1 3.89Å; R403-D419 PolarHBondContact NH2-OD1 3.12Å; R403-D419 IonicContact NH2-OD2 2.98Å; R403-D419 PolarHBondContact NH2-OD2 2.82Å; R403-S420 WeakPolarHBondContact CA-OG 3.03Å; R403-D421 WeakPolarHBondContact CD-OD1 3.28Å; R403-D421 WeakPolarHBondContact CG-OD1 3.32Å; R403-D421 VanDerWaalsContact CZ-CG 3.47Å; R403-D421 IonicContact CZ-OD1 3.63Å; R403-D421 IonicContact CZ-OD2 2.72Å; R403-D421 IonicContact NE-OD1 3.84Å; R403-D421 PolarHBondContact NE-OD1 3.09Å; R403-D421 IonicContact NE-OD2 2.69Å; R403-D421 PolarHBondContact NE-OD2 3.36Å; R403-D421 IonicContact NH1-OD1 3.13Å; R403-D421 IonicContact NH1-OD2 3.32Å; R403-D421 PolarHBondContact NH1-OD2 3.45Å; R403-D421 IonicContact NH2-OD2 3.53Å; R403-D421 PolarHBondContact NH2-OD2 3.24Å; R403-L441 WeakPolarHBondContact O-CA 3.29Å; R403-L442 PolarHBondContact N-O 2.8Å; R403-L442 PolarHBondContact O-N 3.36Å |
| 404 | L | 92.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 122.1 | 173.8 | 175.7 | 61.4 | 0 | 0 | 0 | 110.5 | F392 L397 Y418 S420 V439 E440 L441 L452 | F392-L404 HydrophobicContact CE1-CD2 3.88Å; L397-L404 HydrophobicContact CD1-CB 3.68Å; L397-L404 HydrophobicContact CD1-CD2 4.48Å; L404-Y418 HydrophobicContact CB-CE1 4.48Å; L404-Y418 HydrophobicContact CD2-CE1 4.19Å; L404-Y418 HydrophobicContact CG-CE1 4.18Å; L404-S420 PolarHBondContact N-OG 2.84Å; L404-S420 PolarHBondContact O-N 3.42Å; L404-S420 PolarHBondContact O-OG 3.21Å; L404-V439 HydrophobicContact CD1-CG1 3.71Å; L404-E440 WeakPolarHBondContact CA-O 3.22Å; L404-L441 HydrophobicContact CB-CD1 4.42Å; L404-L441 HydrophobicContact CD1-CB 4.44Å; L404-L452 HydrophobicContact CD1-CD2 3.74Å; L404-L452 HydrophobicContact CD2-CD1 3.61Å; L404-L452 HydrophobicContact CD2-CD2 4.02Å; L404-L452 HydrophobicContact CD2-CG 4.49Å; L404-L452 HydrophobicContact CG-CD2 4.49Å |
| 405 | M | 94 | Very high | 89.4 | Confident | 14 Ų | 14 | 56.1 Ų | 56.1 | 7% | 0.069 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 136.9 | 173.7 | -70.1 | 171.6 | -81 | 0 | 0 | 111 | R403 R407 Y418 D419 E440 L442 | R403-M405 HydrophobicContact CG-CE 4.31Å; R403-M405 HydrophobicContact CG-CG 4.26Å; M405-R407 VanDerWaalsContact CB-NH1 3.35Å; M405-R407 PolarHBondContact SD-NH2 3.09Å; M405-Y418 WeakPolarHBondContact CA-O 3.39Å; M405-D419 VanDerWaalsContact CG-OD1 3.22Å; M405-D419 WeakPolarHBondContact CG-OD1 3.48Å; M405-E440 HydrophobicContact CE-CG 4.44Å; M405-E440 PolarHBondContact N-O 2.74Å; M405-E440 PolarHBondContact O-N 3.24Å; M405-L442 HydrophobicContact CE-CD1 4.09Å |
| 406 | V | 96.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 135.3 | 173.4 | -174.8 | 0 | 0 | 0 | 0 | 109.9 | L390 F392 I417 Y418 L430 L437 V439 | L390-V406 HydrophobicContact CD2-CG1 3.81Å; L390-V406 HydrophobicContact CD2-CG2 3.94Å; F392-V406 HydrophobicContact CZ-CG2 4.48Å; V406-I417 HydrophobicContact CB-CG1 4.24Å; V406-I417 HydrophobicContact CG1-CD1 4Å; V406-I417 HydrophobicContact CG1-CG1 3.93Å; V406-I417 PolarHBondContact O-N 2.78Å; V406-Y418 HydrophobicContact CG2-CD1 4.19Å; V406-Y418 PolarHBondContact N-O 2.97Å; V406-Y418 PolarHBondContact O-N 2.89Å; V406-L430 HydrophobicContact CB-CD1 3.95Å; V406-L430 HydrophobicContact CG1-CD1 4.05Å; V406-L430 HydrophobicContact CG2-CD1 4.02Å; V406-L437 HydrophobicContact CG1-CD2 3.95Å; V406-V439 HydrophobicContact CG1-CG2 4.33Å; V406-V439 HydrophobicContact CG2-CG1 4.43Å; V406-V439 HydrophobicContact CG2-CG2 4.42Å |
| 407 | R | 95.8 | Very high | 90.3 | Very high | 30 Ų | 30 | 56.8 Ų | 56.8 | 11% | 0.113 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 139.7 | -178.7 | -68.3 | 170.1 | 175.6 | 79.6 | 9.9 | 112.6 | M405 G409 P412 S414 P415 V416 L437 Y438 E440 | M405-R407 VanDerWaalsContact CB-NH1 3.35Å; M405-R407 PolarHBondContact SD-NH2 3.09Å; R407-G409 PolarHBondContact O-N 2.75Å; R407-P412 PolarHBondContact NE-O 2.99Å; R407-S414 WeakPolarHBondContact CD-O 3.42Å; R407-S414 WeakPolarHBondContact CG-O 3.32Å; R407-P415 CarbonylContact C-O 3.6Å; R407-P415 WeakPolarHBondContact CA-O 3.37Å; R407-P415 WeakPolarHBondContact CB-O 3.44Å; R407-V416 HydrophobicContact CG-CB 4.44Å; R407-V416 HydrophobicContact CG-CG2 3.91Å; R407-L437 WeakPolarHBondContact O-CA 3.48Å; R407-L437 VanDerWaalsContact O-CD2 3.32Å; R407-L437 WeakPolarHBondContact O-CD2 3.46Å; R407-Y438 PolarHBondContact N-O 3.12Å; R407-Y438 PolarHBondContact O-N 2.85Å; R407-E440 IonicContact NH1-OE2 3.42Å |
| 408 | S | 94.9 | Very high | 90.9 | Very high | 9 Ų | 9 | 55.4 Ų | 55.4 | 6% | 0.063 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 96.3 | 177.8 | -168 | 0 | 0 | 0 | 0 | 110.3 | S414 P415 D433 | S408-S414 WeakPolarHBondContact O-CB 3.49Å; S408-P415 PolarHBondContact N-O 2.85Å; S408-D433 VanDerWaalsContact CB-OD2 3.3Å; S408-D433 WeakPolarHBondContact CB-OD2 3.34Å; S408-D433 PolarHBondContact OG-N 2.85Å; S408-D433 VanDerWaalsContact OG-N 3.1Å; S408-D433 PolarHBondContact OG-OD2 2.85Å |
| 409 | G | 92.8 | Very high | 91.4 | Very high | 7 Ų | 7 | 54 Ų | 54 | 7% | 0.072 | 30% | 0.298 | C | S | . | . | S | Bend | trans | 115 | 145.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | R407 S411 S414 S436 Y438 | R407-G409 PolarHBondContact O-N 2.75Å; G409-S411 PolarHBondContact O-N 2.76Å; G409-S414 WeakPolarHBondContact O-CB 3.25Å; G409-S414 PolarHBondContact O-OG 2.78Å; G409-S436 WeakPolarHBondContact CA-O 3.31Å; G409-S436 WeakPolarHBondContact CA-OG 3.25Å; G409-S436 PolarHBondContact N-O 2.98Å; G409-Y438 WeakPolarHBondContact O-CB 3.4Å; G409-Y438 PolarHBondContact O-N 2.66Å |
| 410 | G | 90.7 | Very high | 92 | Very high | 30 Ų | 30 | 46.2 Ų | 46.2 | 31% | 0.309 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -71.3 | 37.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | S436 | G410-S436 PolarHBondContact N-OG 3.43Š|
| 411 | S | 91.1 | Very high | 92.4 | Very high | 42 Ų | 42 | 42.8 Ų | 42.8 | 29% | 0.294 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -139.6 | 152.3 | 178.8 | 90.7 | 0 | 0 | 0 | 0 | 113.2 | G409 L413 S414 | G409-S411 PolarHBondContact O-N 2.76Å; S411-L413 PolarHBondContact O-N 2.77Å; S411-L413 PolarHBondContact OG-N 2.9Å; S411-S414 PolarHBondContact N-OG 2.82Å; S411-S414 VanDerWaalsContact O-CB 3.24Å; S411-S414 WeakPolarHBondContact O-CB 3.19Å; S411-S414 PolarHBondContact O-N 2.94Å; S411-S414 VanDerWaalsContact O-N 3.12Å; S411-S414 PolarHBondContact O-OG 2.9Å; S411-S414 PolarHBondContact OG-N 3.02Å; S411-S414 VanDerWaalsContact OG-N 3.12Å; S411-S414 PolarHBondContact OG-OG 2.83Å |
| 412 | P | 90.3 | Very high | 92.8 | Very high | 73 Ų | 73 | 46.4 Ų | 46.4 | 47% | 0.474 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -11.8 | 174.4 | 28.8 | -35.5 | 0 | 0 | 0 | 113.5 | R407 Y438 | R407-P412 PolarHBondContact NE-O 2.99Å; P412-Y438 HydrophobicContact CB-CE1 3.96Å; P412-Y438 HydrophobicContact CB-CE2 4.37Å |
| 413 | L | 92.9 | Very high | 92.9 | Very high | 166 Ų | 166 | 49.6 Ų | 49.6 | 87% | 0.869 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -1.7 | 175.9 | -59.8 | 179.5 | 0 | 0 | 0 | 112.8 | S411 | S411-L413 PolarHBondContact O-N 2.77Å; S411-L413 PolarHBondContact OG-N 2.9Å |
| 414 | S | 94.9 | Very high | 92.8 | Very high | 22 Ų | 22 | 53.5 Ų | 53.5 | 15% | 0.154 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -71.1 | 155.2 | 178.2 | -68.8 | 0 | 0 | 0 | 0 | 111.7 | R407 S408 G409 S411 V416 | R407-S414 WeakPolarHBondContact CD-O 3.42Å; R407-S414 WeakPolarHBondContact CG-O 3.32Å; S408-S414 WeakPolarHBondContact O-CB 3.49Å; G409-S414 WeakPolarHBondContact O-CB 3.25Å; G409-S414 PolarHBondContact O-OG 2.78Å; S411-S414 PolarHBondContact N-OG 2.82Å; S411-S414 VanDerWaalsContact O-CB 3.24Å; S411-S414 WeakPolarHBondContact O-CB 3.19Å; S411-S414 PolarHBondContact O-N 2.94Å; S411-S414 VanDerWaalsContact O-N 3.12Å; S411-S414 PolarHBondContact O-OG 2.9Å; S411-S414 PolarHBondContact OG-N 3.02Å; S411-S414 VanDerWaalsContact OG-N 3.12Å; S411-S414 PolarHBondContact OG-OG 2.83Å; S414-V416 PolarHBondContact O-N 2.87Å |
| 415 | P | 95 | Very high | 92.6 | Very high | 90 Ų | 90 | 56.5 Ų | 56.5 | 58% | 0.584 | 33% | 0.325 | S | S | * | . | P | Polyproline II helix | trans | -54 | 132.1 | 178.2 | -26.1 | 35.1 | 0 | 0 | 0 | 112.4 | R407 S408 | R407-P415 CarbonylContact C-O 3.6Å; R407-P415 WeakPolarHBondContact CA-O 3.37Å; R407-P415 WeakPolarHBondContact CB-O 3.44Å; S408-P415 PolarHBondContact N-O 2.85Å |
| 416 | V | 94.5 | Very high | 92.1 | Very high | 69 Ų | 69 | 57.5 Ų | 57.5 | 42% | 0.418 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 134.4 | 172.2 | -179.2 | 0 | 0 | 0 | 0 | 108.8 | R407 S414 Y418 D419 | R407-V416 HydrophobicContact CG-CB 4.44Å; R407-V416 HydrophobicContact CG-CG2 3.91Å; S414-V416 PolarHBondContact O-N 2.87Å; V416-Y418 WeakPolarHBondContact CG1-O 3.45Å; V416-D419 HydrophobicContact CG1-CB 4.14Å |
| 417 | I | 94.5 | Very high | 91 | Very high | 47 Ų | 47 | 66 Ų | 66 | 24% | 0.241 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | -5.9 | 175.8 | 59.7 | 170.6 | 0 | 0 | 0 | 113 | V406 L430 L437 | V406-I417 HydrophobicContact CB-CG1 4.24Å; V406-I417 HydrophobicContact CG1-CD1 4Å; V406-I417 HydrophobicContact CG1-CG1 3.93Å; V406-I417 PolarHBondContact O-N 2.78Å; I417-L430 HydrophobicContact CD1-CB 4.31Å; I417-L430 HydrophobicContact CG1-CD1 4.48Å; I417-L437 HydrophobicContact CD1-CD2 3.85Å |
| 418 | Y | 95.3 | Very high | 89.9 | Confident | 7 Ų | 7 | 70.7 Ų | 70.7 | 3% | 0.027 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.7 | 138.4 | 171.2 | 171.4 | -91.7 | 0 | 0 | 0 | 110.1 | F392 L404 M405 V406 V416 D423 P426 L430 | F392-Y418 HydrophobicContact CE1-CD1 4.41Å; F392-Y418 HydrophobicContact CE1-CE1 4.07Å; F392-Y418 HydrophobicContact CZ-CD1 4.27Å; F392-Y418 HydrophobicContact CZ-CE1 4.36Å; F392-Y418 HydrophobicContact CZ-CG 4.44Å; L404-Y418 HydrophobicContact CB-CE1 4.48Å; L404-Y418 HydrophobicContact CD2-CE1 4.19Å; L404-Y418 HydrophobicContact CG-CE1 4.18Å; M405-Y418 WeakPolarHBondContact CA-O 3.39Å; V406-Y418 HydrophobicContact CG2-CD1 4.19Å; V406-Y418 PolarHBondContact N-O 2.97Å; V406-Y418 PolarHBondContact O-N 2.89Å; V416-Y418 WeakPolarHBondContact CG1-O 3.45Å; Y418-D423 HydrophobicContact CD2-CB 3.82Å; Y418-D423 HydrophobicContact CE2-CB 3.92Å; Y418-P426 HydrophobicContact CD2-CG 4.42Å; Y418-L430 VanDerWaalsContact CB-CD1 3.43Å; Y418-L430 HydrophobicContact CG-CD1 4.02Å |
| 419 | D | 94.1 | Very high | 89.5 | Confident | 23 Ų | 23 | 70.7 Ų | 70.7 | 12% | 0.123 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 113.6 | 177.2 | -162.1 | -3.3 | 0 | 0 | 0 | 110.1 | R403 M405 V416 D421 M422 D423 | R403-D419 IonicContact CZ-OD1 3.47Å; R403-D419 VanDerWaalsContact CZ-OD1 3.27Å; R403-D419 IonicContact CZ-OD2 3.7Å; R403-D419 IonicContact NE-OD1 3.36Å; R403-D419 PolarHBondContact NE-OD1 3.38Å; R403-D419 IonicContact NE-OD2 2.64Å; R403-D419 IonicContact NH2-OD1 3.89Å; R403-D419 PolarHBondContact NH2-OD1 3.12Å; R403-D419 IonicContact NH2-OD2 2.98Å; R403-D419 PolarHBondContact NH2-OD2 2.82Å; M405-D419 VanDerWaalsContact CG-OD1 3.22Å; M405-D419 WeakPolarHBondContact CG-OD1 3.48Å; V416-D419 HydrophobicContact CG1-CB 4.14Å; D419-D421 PolarHBondContact O-N 3.3Å; D419-M422 HydrophobicContact CB-CB 4.46Å; D419-M422 HydrophobicContact CB-CG 4.43Å; D419-M422 PolarHBondContact O-N 3.49Å; D419-D423 PolarHBondContact N-OD2 3.15Å; D419-D423 PolarHBondContact O-N 3.18Å |
| 420 | S | 91.9 | Very high | 89.3 | Confident | 34 Ų | 34 | 71.5 Ų | 71.5 | 24% | 0.238 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -19.2 | -171.9 | 60 | 0 | 0 | 0 | 0 | 115.1 | R403 L404 M422 | R403-S420 WeakPolarHBondContact CA-OG 3.03Å; L404-S420 PolarHBondContact N-OG 2.84Å; L404-S420 PolarHBondContact O-N 3.42Å; L404-S420 PolarHBondContact O-OG 3.21Å; S420-M422 PolarHBondContact O-N 2.03Å |
| 421 | D | 90.1 | Very high | 89.3 | Confident | 82 Ų | 82 | 73.7 Ų | 73.7 | 44% | 0.439 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -20.8 | 173.3 | -63.2 | 22.2 | 0 | 0 | 0 | 112.4 | R403 D419 | R403-D421 WeakPolarHBondContact CD-OD1 3.28Å; R403-D421 WeakPolarHBondContact CG-OD1 3.32Å; R403-D421 VanDerWaalsContact CZ-CG 3.47Å; R403-D421 IonicContact CZ-OD1 3.63Å; R403-D421 IonicContact CZ-OD2 2.72Å; R403-D421 IonicContact NE-OD1 3.84Å; R403-D421 PolarHBondContact NE-OD1 3.09Å; R403-D421 IonicContact NE-OD2 2.69Å; R403-D421 PolarHBondContact NE-OD2 3.36Å; R403-D421 IonicContact NH1-OD1 3.13Å; R403-D421 IonicContact NH1-OD2 3.32Å; R403-D421 PolarHBondContact NH1-OD2 3.45Å; R403-D421 IonicContact NH2-OD2 3.53Å; R403-D421 PolarHBondContact NH2-OD2 3.24Å; D419-D421 PolarHBondContact O-N 3.3Å |
| 422 | M | 90 | Very high | 89.4 | Confident | 144 Ų | 144 | 71.7 Ų | 71.7 | 71% | 0.709 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.2 | -32 | -164.3 | -57.1 | -73.6 | 122.5 | 0 | 0 | 113.3 | D419 S420 | D419-M422 HydrophobicContact CB-CB 4.46Å; D419-M422 HydrophobicContact CB-CG 4.43Å; D419-M422 PolarHBondContact O-N 3.49Å; S420-M422 PolarHBondContact O-N 2.03Å |
| 423 | D | 89.9 | Confident | 89.2 | Confident | 77 Ų | 77 | 73.8 Ų | 73.8 | 41% | 0.412 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -120 | 132.6 | -170.7 | -54.9 | -53.2 | 0 | 0 | 0 | 111.7 | Y418 D419 | Y418-D423 HydrophobicContact CD2-CB 3.82Å; Y418-D423 HydrophobicContact CE2-CB 3.92Å; D419-D423 PolarHBondContact N-OD2 3.15Å; D419-D423 PolarHBondContact O-N 3.18Å |
| 424 | D | 88 | Confident | 88.9 | Confident | 158 Ų | 158 | 67.4 Ų | 67.4 | 85% | 0.845 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 148.4 | 167.2 | -72 | -58.9 | 0 | 0 | 0 | 111.3 | P426 | D424-P426 WeakPolarHBondContact O-CD 3.34Š|
| 425 | V | 86.8 | Confident | 88.8 | Confident | 63 Ų | 63 | 70.9 Ų | 70.9 | 38% | 0.382 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 119.8 | 179.4 | 179.5 | 0 | 0 | 0 | 0 | 110.7 | F392 V395 E427 | F392-V425 HydrophobicContact CB-CG1 3.68Å; F392-V425 HydrophobicContact CD1-CG1 3.82Å; F392-V425 HydrophobicContact CG-CG1 3.8Å; V395-V425 HydrophobicContact CB-CG2 4.14Å; V395-V425 HydrophobicContact CG1-CG2 4.01Å; V395-V425 HydrophobicContact CG2-CG1 4.02Å; V395-V425 HydrophobicContact CG2-CG2 4.02Å; V425-E427 PolarHBondContact O-N 3.03Å |
| 426 | P | 85 | Confident | 88.8 | Confident | 35 Ų | 35 | 67.5 Ų | 67.5 | 23% | 0.227 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -75.3 | 119.6 | -173.7 | 28.2 | -34.2 | 0 | 0 | 0 | 111.7 | F392 Y418 D424 R428 G429 L430 | F392-P426 HydrophobicContact CD2-CG 4.22Å; F392-P426 HydrophobicContact CE2-CG 3.89Å; F392-P426 HydrophobicContact CZ-CG 4.41Å; Y418-P426 HydrophobicContact CD2-CG 4.42Å; D424-P426 WeakPolarHBondContact O-CD 3.34Å; P426-R428 PolarHBondContact O-N 2.91Å; P426-G429 PolarHBondContact O-N 2.6Å; P426-L430 HydrophobicContact CG-CD2 3.98Å; P426-L430 HydrophobicContact CG-CG 3.95Å |
| 427 | E | 73.1 | Confident | 88.8 | Confident | 177 Ų | 177 | 64.2 Ų | 64.2 | 83% | 0.827 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -37.5 | 178.1 | -60.6 | -179.3 | 144.2 | 0 | 0 | 112.7 | V425 G429 | V425-E427 PolarHBondContact O-N 3.03Å; E427-G429 VanDerWaalsContact C-N 3.26Å; E427-G429 PolarHBondContact O-N 2.8Å |
| 428 | R | 72.7 | Confident | 88.9 | Confident | 129 Ų | 129 | 62.9 Ų | 62.9 | 49% | 0.487 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -4.7 | 178.7 | -59.3 | -175.8 | -174.5 | -129.3 | -7.6 | 113.9 | H389 P426 D518 T519 | H389-R428 PolarHBondContact NE2-O 2.83Å; P426-R428 PolarHBondContact O-N 2.91Å; R428-D518 IonicContact NH2-OD1 3.96Å; R428-T519 HydrophobicContact CG-CG2 3.76Å; R428-T519 VanDerWaalsContact CZ-CG2 3.4Å; R428-T519 VanDerWaalsContact NE-CG2 3.29Å; R428-T519 VanDerWaalsContact NH2-CG2 3.31Å |
| 429 | G | 85.2 | Confident | 88.8 | Confident | 10 Ų | 10 | 62.6 Ų | 62.6 | 10% | 0.103 | 33% | 0.326 | C | S | . | . | trans | 66.9 | -162.7 | -163 | 0 | 0 | 0 | 0 | 0 | 113.1 | L390 P426 E427 | L390-G429 CarbonylContact O-C 3.54Å; L390-G429 WeakPolarHBondContact O-CA 3.13Å; P426-G429 PolarHBondContact O-N 2.6Å; E427-G429 VanDerWaalsContact C-N 3.26Å; E427-G429 PolarHBondContact O-N 2.8Å | ||
| 430 | L | 90.6 | Very high | 88.8 | Confident | 23 Ų | 23 | 62.5 Ų | 62.5 | 12% | 0.12 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 150.7 | 179.7 | -65.3 | 165.8 | 0 | 0 | 0 | 110.8 | H389 L390 F392 V406 I417 Y418 P426 | H389-L430 CarbonylContact C-O 3.59Å; H389-L430 WeakPolarHBondContact CA-O 3.36Å; H389-L430 PolarHBondContact CD2-O 2.95Å; H389-L430 VanDerWaalsContact CD2-O 3.28Å; L390-L430 HydrophobicContact CB-CB 4.49Å; L390-L430 PolarHBondContact N-O 3.18Å; L390-L430 PolarHBondContact O-N 3.34Å; F392-L430 HydrophobicContact CE2-CD1 3.7Å; F392-L430 HydrophobicContact CE2-CG 3.88Å; F392-L430 HydrophobicContact CZ-CD1 3.63Å; F392-L430 HydrophobicContact CZ-CG 4.28Å; V406-L430 HydrophobicContact CB-CD1 3.95Å; V406-L430 HydrophobicContact CG1-CD1 4.05Å; V406-L430 HydrophobicContact CG2-CD1 4.02Å; I417-L430 HydrophobicContact CD1-CB 4.31Å; I417-L430 HydrophobicContact CG1-CD1 4.48Å; Y418-L430 VanDerWaalsContact CB-CD1 3.43Å; Y418-L430 HydrophobicContact CG-CD1 4.02Å; P426-L430 HydrophobicContact CG-CD2 3.98Å; P426-L430 HydrophobicContact CG-CG 3.95Å |
| 431 | I | 89.7 | Confident | 88.8 | Confident | 76 Ų | 76 | 60.9 Ų | 60.9 | 39% | 0.39 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 140.2 | 172.2 | -61.6 | 171.5 | 0 | 0 | 0 | 108.2 | L388 F459 F465 | L388-I431 CarbonylContact O-C 3.5Å; L388-I431 WeakPolarHBondContact O-CA 3.44Å; I431-F459 HydrophobicContact CG2-CE1 4.26Å; I431-F459 HydrophobicContact CG2-CZ 3.85Å; I431-F465 HydrophobicContact CD1-CD1 4.1Å; I431-F465 HydrophobicContact CD1-CE1 3.88Å; I431-F465 HydrophobicContact CG1-CE1 4.5Å |
| 432 | S | 92.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | trans | -90.7 | 137.5 | 173.5 | 70.7 | 0 | 0 | 0 | 0 | 112.6 | R387 L388 A434 | R387-S432 WeakPolarHBondContact CB-O 3.3Å; R387-S432 WeakPolarHBondContact CD-O 3.46Å; R387-S432 WeakPolarHBondContact CG-O 2.98Å; L388-S432 WeakPolarHBondContact CB-OG 3.49Å; L388-S432 PolarHBondContact N-OG 3.47Å; L388-S432 PolarHBondContact O-N 3.32Å; L388-S432 PolarHBondContact O-OG 3.03Å; S432-A434 VanDerWaalsContact C-N 3.26Å; S432-A434 VanDerWaalsContact CB-O 3.31Å; S432-A434 WeakPolarHBondContact CB-O 2.93Å; S432-A434 PolarHBondContact OG-O 3.44Å | ||
| 433 | D | 87.7 | Confident | 88.4 | Confident | 117 Ų | 117 | 52.8 Ų | 52.8 | 63% | 0.626 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -76.2 | -18.8 | 168.8 | -31.6 | -88.9 | 0 | 0 | 0 | 111.9 | S408 | S408-D433 VanDerWaalsContact CB-OD2 3.3Å; S408-D433 WeakPolarHBondContact CB-OD2 3.34Å; S408-D433 PolarHBondContact OG-N 2.85Å; S408-D433 VanDerWaalsContact OG-N 3.1Å; S408-D433 PolarHBondContact OG-OD2 2.85Å |
| 434 | A | 86.9 | Confident | 87.8 | Confident | 32 Ų | 32 | 55.1 Ų | 55.1 | 26% | 0.264 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -109.3 | 159.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | S432 S436 | S432-A434 VanDerWaalsContact C-N 3.26Å; S432-A434 VanDerWaalsContact CB-O 3.31Å; S432-A434 WeakPolarHBondContact CB-O 2.93Å; S432-A434 PolarHBondContact OG-O 3.44Å; A434-S436 PolarHBondContact O-N 2.82Å |
| 435 | Q | 91.9 | Very high | 87 | Confident | 96 Ų | 96 | 51.1 Ų | 51.1 | 45% | 0.449 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -66.1 | 9.3 | 172.2 | 72.3 | -173.7 | 13.6 | 0 | 0 | 115.1 | A382 R386 | A382-Q435 PolarHBondContact N-O 2.83Å; R386-Q435 VanDerWaalsContact O-CA 3.26Å; R386-Q435 WeakPolarHBondContact O-CA 3.38Å; R386-Q435 WeakPolarHBondContact O-CB 3.46Å |
| 436 | S | 94.3 | Very high | 85.9 | Confident | 18 Ų | 18 | 49.4 Ų | 49.4 | 13% | 0.126 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 156 | -178.4 | 48.4 | 0 | 0 | 0 | 0 | 112.2 | I380 G409 G410 A434 | I380-S436 CarbonylContact O-C 3.56Å; I380-S436 WeakPolarHBondContact O-CA 3.47Å; I380-S436 WeakPolarHBondContact O-CB 3.34Å; G409-S436 WeakPolarHBondContact CA-O 3.31Å; G409-S436 WeakPolarHBondContact CA-OG 3.25Å; G409-S436 PolarHBondContact N-O 2.98Å; G410-S436 PolarHBondContact N-OG 3.43Å; A434-S436 PolarHBondContact O-N 2.82Å |
| 437 | L | 95.6 | Very high | 84.6 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 142.1 | 174.5 | -77.7 | 172.7 | 0 | 0 | 0 | 109.8 | V379 I380 L388 L390 V406 R407 I417 | V379-L437 WeakPolarHBondContact CA-O 3.49Å; I380-L437 HydrophobicContact CB-CB 4.42Å; I380-L437 PolarHBondContact N-O 3.48Å; I380-L437 PolarHBondContact O-N 2.04Å; L388-L437 HydrophobicContact CB-CD1 3.67Å; L388-L437 HydrophobicContact CB-CG 4.12Å; L388-L437 HydrophobicContact CD1-CB 4.09Å; L388-L437 HydrophobicContact CD1-CD1 4.11Å; L388-L437 HydrophobicContact CD1-CG 3.92Å; L390-L437 HydrophobicContact CB-CD1 3.93Å; L390-L437 HydrophobicContact CD2-CD1 4.27Å; V406-L437 HydrophobicContact CG1-CD2 3.95Å; R407-L437 WeakPolarHBondContact O-CA 3.48Å; R407-L437 VanDerWaalsContact O-CD2 3.32Å; R407-L437 WeakPolarHBondContact O-CD2 3.46Å; I417-L437 HydrophobicContact CD1-CD2 3.85Å |
| 438 | Y | 95.2 | Very high | 84 | Confident | 20 Ų | 20 | 46.2 Ų | 46.2 | 8% | 0.078 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 116.9 | 169.4 | -178.5 | -82.1 | 0 | 0 | 0 | 108.8 | R377 V379 R407 G409 P412 E440 | R377-Y438 WeakPolarHBondContact CD-OH 3.36Å; V379-Y438 HydrophobicContact CG2-CD2 3.86Å; V379-Y438 HydrophobicContact CG2-CE2 4.24Å; R407-Y438 PolarHBondContact N-O 3.12Å; R407-Y438 PolarHBondContact O-N 2.85Å; G409-Y438 WeakPolarHBondContact O-CB 3.4Å; G409-Y438 PolarHBondContact O-N 2.66Å; P412-Y438 HydrophobicContact CB-CE1 3.96Å; P412-Y438 HydrophobicContact CB-CE2 4.37Å; Y438-E440 HydrophobicContact CE1-CB 3.89Å |
| 439 | V | 94.9 | Very high | 83.1 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 124.6 | -178.3 | -176.4 | 0 | 0 | 0 | 0 | 108.8 | I361 R377 W378 L390 L404 V406 L454 | I361-V439 HydrophobicContact CD1-CB 4.23Å; I361-V439 HydrophobicContact CD1-CG1 4.14Å; I361-V439 HydrophobicContact CD1-CG2 4.22Å; R377-V439 CarbonylContact C-O 3.56Å; R377-V439 WeakPolarHBondContact CA-O 3.49Å; W378-V439 HydrophobicContact CB-CB 4.43Å; W378-V439 HydrophobicContact CE3-CB 4.23Å; W378-V439 HydrophobicContact CE3-CG1 4Å; W378-V439 HydrophobicContact CZ3-CG1 4.4Å; W378-V439 PolarHBondContact N-O 3.44Å; W378-V439 PolarHBondContact O-N 3.04Å; L390-V439 HydrophobicContact CD2-CG2 4.11Å; L404-V439 HydrophobicContact CD1-CG1 3.71Å; V406-V439 HydrophobicContact CG1-CG2 4.33Å; V406-V439 HydrophobicContact CG2-CG1 4.43Å; V406-V439 HydrophobicContact CG2-CG2 4.42Å; V439-L454 HydrophobicContact CG1-CD1 4.08Å |
| 440 | E | 93.6 | Very high | 81.8 | Confident | 22 Ų | 22 | 47.7 Ų | 47.7 | 10% | 0.103 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 120 | 179.3 | -178.2 | 167.5 | -139.2 | 0 | 0 | 110.3 | C376 R377 L404 M405 R407 Y438 L442 | C376-E440 WeakPolarHBondContact O-CA 3.06Å; R377-E440 HydrophobicContact CG-CG 4.1Å; R377-E440 IonicContact CZ-OE1 3.12Å; R377-E440 IonicContact NE-OE1 3.3Å; R377-E440 PolarHBondContact NE-OE1 3.17Å; R377-E440 IonicContact NH2-OE1 2.7Å; R377-E440 PolarHBondContact NH2-OE1 3.43Å; L404-E440 WeakPolarHBondContact CA-O 3.22Å; M405-E440 HydrophobicContact CE-CG 4.44Å; M405-E440 PolarHBondContact N-O 2.74Å; M405-E440 PolarHBondContact O-N 3.24Å; R407-E440 IonicContact NH1-OE2 3.42Å; Y438-E440 HydrophobicContact CE1-CB 3.89Å; E440-L442 HydrophobicContact CG-CD2 4.03Å; E440-L442 HydrophobicContact CG-CG 4.23Å |
| 441 | L | 90.9 | Very high | 80.9 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 126.2 | 171.8 | 174.8 | 66.2 | 0 | 0 | 0 | 108.7 | L374 T375 C376 W378 L397 R403 L404 L452 | L374-L441 HydrophobicContact CD2-CD2 4.5Å; T375-L441 CarbonylContact C-O 3.47Å; T375-L441 WeakPolarHBondContact CA-O 3.02Å; C376-L441 HydrophobicContact CB-CB 4.43Å; C376-L441 PolarHBondContact N-O 3.03Å; C376-L441 PolarHBondContact O-N 2.78Å; W378-L441 HydrophobicContact CH2-CB 4.28Å; W378-L441 HydrophobicContact CH2-CD2 4.3Å; W378-L441 HydrophobicContact CZ3-CB 3.84Å; L397-L441 HydrophobicContact CD2-CD1 3.64Å; R403-L441 WeakPolarHBondContact O-CA 3.29Å; L404-L441 HydrophobicContact CB-CD1 4.42Å; L404-L441 HydrophobicContact CD1-CB 4.44Å; L441-L452 HydrophobicContact CB-CD2 4.34Å; L441-L452 HydrophobicContact CD1-CD2 4.47Å; L441-L452 HydrophobicContact CD2-CB 4.17Å; L441-L452 HydrophobicContact CD2-CD2 4.01Å |
| 442 | L | 88.8 | Confident | 80.7 | Confident | 52 Ų | 52 | 43.3 Ų | 43.3 | 27% | 0.272 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 138.9 | 172.2 | -52.8 | 176.8 | 0 | 0 | 0 | 108 | T375 D402 R403 M405 E440 | T375-L442 HydrophobicContact CG2-CD2 3.7Å; D402-L442 CarbonylContact C-O 3.55Å; D402-L442 WeakPolarHBondContact CA-O 3.37Å; R403-L442 PolarHBondContact N-O 2.8Å; R403-L442 PolarHBondContact O-N 3.36Å; M405-L442 HydrophobicContact CE-CD1 4.09Å; E440-L442 HydrophobicContact CG-CD2 4.03Å; E440-L442 HydrophobicContact CG-CG 4.23Å |
| 443 | S | 83.9 | Confident | 80.5 | Confident | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.021 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 125.4 | 176.2 | 169.1 | 0 | 0 | 0 | 0 | 109.1 | N373 L374 D402 | N373-S443 CarbonylContact C-O 3.44Å; N373-S443 WeakPolarHBondContact CA-O 3.23Å; L374-S443 PolarHBondContact N-O 3.46Å; L374-S443 PolarHBondContact O-N 2.86Å; D402-S443 VanDerWaalsContact OD1-CA 3.26Å; D402-S443 WeakPolarHBondContact OD1-CA 3.49Å; D402-S443 WeakPolarHBondContact OD1-CB 3.44Å; D402-S443 PolarHBondContact OD1-OG 2.96Å |
| 444 | E | 77.5 | Confident | 80.6 | Confident | 126 Ų | 126 | 38.1 Ų | 38.1 | 59% | 0.589 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -85.7 | -22.5 | 178.3 | -62.2 | -144.9 | 163.9 | 0 | 0 | 113.3 | N401 | N401-E444 PolarHBondContact O-N 3.18Š|
| 445 | T | 71.6 | Confident | 80.8 | Confident | 74 Ų | 74 | 37.5 Ų | 37.5 | 45% | 0.454 | 21% | 0.211 | S | C | . | . | trans | -142.8 | 91.6 | 175.1 | 49.6 | 0 | 0 | 0 | 0 | 111.3 | A447 | T445-A447 PolarHBondContact O-N 3.25Š| ||
| 446 | P | 63.3 | Low | 80.7 | Confident | 28 Ų | 28 | 33.2 Ų | 33.2 | 18% | 0.182 | 19% | 0.191 | C | C | . | . | trans | -73.4 | 75.3 | 176.7 | 30.8 | -34.9 | 0 | 0 | 0 | 110.6 | P366 P372 L374 L451 | P366-P446 WeakPolarHBondContact CB-O 3.34Å; P366-P446 VanDerWaalsContact CG-O 3.29Å; P366-P446 WeakPolarHBondContact CG-O 3.47Å; P372-P446 WeakPolarHBondContact O-CD 3.42Å; L374-P446 HydrophobicContact CB-CG 4.44Å; P446-L451 HydrophobicContact CB-CD1 3.9Å | ||
| 447 | A | 57.9 | Low | 80.6 | Confident | 81 Ų | 81 | 33.4 Ų | 33.4 | 67% | 0.669 | 19% | 0.19 | S | C | * | . | trans | -91.4 | -24.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T445 | T445-A447 PolarHBondContact O-N 3.25Š| ||
| 448 | N | 58.8 | Low | 80.4 | Confident | 63 Ų | 63 | 34.1 Ų | 34.1 | 34% | 0.337 | 20% | 0.196 | S | C | . | . | trans | -86.5 | 132.1 | 179.4 | -72.9 | -25.6 | 0 | 0 | 0 | 111.2 | P366 S396 L450 L451 | P366-N448 WeakPolarHBondContact CG-O 3.47Å; S396-N448 PolarHBondContact O-ND2 2.98Å; S396-N448 VanDerWaalsContact O-ND2 3.09Å; N448-L450 VanDerWaalsContact C-N 3.29Å; N448-L450 PolarHBondContact O-N 2.92Å; N448-L451 HydrophobicContact CB-CD2 4.04Å; N448-L451 HydrophobicContact CB-CG 4.25Å | ||
| 449 | P | 55.4 | Low | 80.3 | Confident | 82 Ų | 82 | 34.1 Ų | 34.1 | 53% | 0.532 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -8.1 | -177.5 | 29.2 | -34.9 | 0 | 0 | 0 | 115.4 | ||
| 450 | L | 57.1 | Low | 80 | Confident | 89 Ų | 89 | 37 Ų | 37 | 47% | 0.466 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -135 | 42.1 | -171.6 | -67.1 | 174.4 | 0 | 0 | 0 | 112.7 | S396 N448 L452 | S396-L450 WeakPolarHBondContact CB-O 3.48Å; N448-L450 VanDerWaalsContact C-N 3.29Å; N448-L450 PolarHBondContact O-N 2.92Å; L450-L452 PolarHBondContact O-N 2.86Å |
| 451 | L | 71.6 | Confident | 79.6 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | trans | -50.4 | -50.6 | -173.7 | -72.7 | 159 | 0 | 0 | 0 | 113.9 | L374 S396 D402 P446 N448 | L374-L451 HydrophobicContact CD2-CD1 4.33Å; S396-L451 PolarHBondContact N-O 2.76Å; D402-L451 WeakPolarHBondContact OD2-CD2 3.41Å; P446-L451 HydrophobicContact CB-CD1 3.9Å; N448-L451 HydrophobicContact CB-CD2 4.04Å; N448-L451 HydrophobicContact CB-CG 4.25Å | ||
| 452 | L | 85.3 | Confident | 79.5 | Confident | 5 Ų | 5 | 44.6 Ų | 44.6 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 130.6 | -173.7 | -170.1 | 60.1 | 0 | 0 | 0 | 114.2 | V362 S363 W378 R394 V395 L404 L441 L450 L454 | V362-L452 WeakPolarHBondContact CA-O 3.42Å; S363-L452 PolarHBondContact N-O 3.49Å; S363-L452 PolarHBondContact OG-N 3.23Å; S363-L452 PolarHBondContact OG-O 2.85Å; W378-L452 HydrophobicContact CZ3-CD2 4.35Å; R394-L452 WeakPolarHBondContact O-CA 3.34Å; V395-L452 HydrophobicContact CG2-CD1 4.35Å; L404-L452 HydrophobicContact CD1-CD2 3.74Å; L404-L452 HydrophobicContact CD2-CD1 3.61Å; L404-L452 HydrophobicContact CD2-CD2 4.02Å; L404-L452 HydrophobicContact CD2-CG 4.49Å; L404-L452 HydrophobicContact CG-CD2 4.49Å; L441-L452 HydrophobicContact CB-CD2 4.34Å; L441-L452 HydrophobicContact CD1-CD2 4.47Å; L441-L452 HydrophobicContact CD2-CB 4.17Å; L441-L452 HydrophobicContact CD2-CD2 4.01Å; L450-L452 PolarHBondContact O-N 2.86Å; L452-L454 HydrophobicContact CD1-CD1 4.16Å; L452-L454 HydrophobicContact CD1-CD2 3.7Å; L452-L454 HydrophobicContact CD1-CG 3.73Å; L452-L454 HydrophobicContact CD2-CD1 4.1Å; L452-L454 HydrophobicContact CD2-CG 4.32Å; L452-L454 HydrophobicContact CG-CD1 4.3Å; L452-L454 HydrophobicContact CG-CD2 4.47Å; L452-L454 HydrophobicContact CG-CG 3.96Å |
| 453 | S | 87.6 | Confident | 79.6 | Confident | 8 Ų | 8 | 43.7 Ų | 43.7 | 6% | 0.056 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 115.1 | 162.7 | -164.5 | 0 | 0 | 0 | 0 | 110.1 | R360 V362 E393 R394 | R360-S453 PolarHBondContact NH1-OG 2.84Å; R360-S453 VanDerWaalsContact NH1-OG 3.08Å; V362-S453 WeakPolarHBondContact CG1-OG 3.42Å; E393-S453 PolarHBondContact N-O 3.39Å; R394-S453 PolarHBondContact N-O 2.95Å; R394-S453 VanDerWaalsContact N-O 3.12Å; R394-S453 PolarHBondContact O-N 2.88Å |
| 454 | L | 90.4 | Very high | 80 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 132.8 | 177.6 | -55.3 | 176.1 | 0 | 0 | 0 | 109.5 | R360 I361 L390 H391 F392 V439 L452 | R360-L454 CarbonylContact C-O 3.59Å; R360-L454 VanDerWaalsContact CA-O 3.31Å; R360-L454 WeakPolarHBondContact CA-O 3.33Å; I361-L454 HydrophobicContact CD1-CB 4.37Å; I361-L454 HydrophobicContact CD1-CD1 4.15Å; I361-L454 HydrophobicContact CG1-CB 3.86Å; I361-L454 HydrophobicContact CG1-CD1 4.47Å; I361-L454 PolarHBondContact N-O 2.03Å; I361-L454 PolarHBondContact O-N 3.41Å; L390-L454 HydrophobicContact CD1-CB 3.93Å; L390-L454 HydrophobicContact CD1-CD1 4.31Å; L390-L454 HydrophobicContact CD2-CD1 4.12Å; L390-L454 HydrophobicContact CG-CB 4.49Å; L390-L454 HydrophobicContact CG-CD1 4.4Å; H391-L454 WeakPolarHBondContact O-CA 3.18Å; F392-L454 HydrophobicContact CB-CD2 4.04Å; F392-L454 HydrophobicContact CD1-CD2 3.33Å; F392-L454 HydrophobicContact CD2-CD2 4.25Å; F392-L454 HydrophobicContact CE1-CD2 3.79Å; F392-L454 HydrophobicContact CG-CD2 3.6Å; F392-L454 HydrophobicContact CZ-CD2 4.4Å; V439-L454 HydrophobicContact CG1-CD1 4.08Å; L452-L454 HydrophobicContact CD1-CD1 4.16Å; L452-L454 HydrophobicContact CD1-CD2 3.7Å; L452-L454 HydrophobicContact CD1-CG 3.73Å; L452-L454 HydrophobicContact CD2-CD1 4.1Å; L452-L454 HydrophobicContact CD2-CG 4.32Å; L452-L454 HydrophobicContact CG-CD1 4.3Å; L452-L454 HydrophobicContact CG-CD2 4.47Å; L452-L454 HydrophobicContact CG-CG 3.96Å |
| 455 | R | 90.3 | Very high | 80.5 | Confident | 19 Ų | 19 | 38.6 Ų | 38.6 | 7% | 0.072 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 137.9 | 170.2 | -169.7 | -173.5 | 67.1 | -95.1 | -8.2 | 108.8 | L358 G359 L390 H391 E393 F468 | L358-R455 HydrophobicContact CD1-CG 4.44Å; G359-R455 CarbonylContact O-C 3.49Å; G359-R455 WeakPolarHBondContact O-CA 3.15Å; G359-R455 WeakPolarHBondContact O-CG 3.49Å; L390-R455 WeakPolarHBondContact CA-O 3.17Å; H391-R455 VanDerWaalsContact CB-NH2 3.26Å; H391-R455 PolarHBondContact CD2-NH1 3.2Å; H391-R455 PolarHBondContact CD2-NH2 2.88Å; H391-R455 PolarHBondContact N-O 3.2Å; H391-R455 PolarHBondContact O-N 2.97Å; E393-R455 HydrophobicContact CG-CB 4.23Å; E393-R455 IonicContact OE1-CZ 3.51Å; E393-R455 IonicContact OE1-NH1 3.55Å; E393-R455 PolarHBondContact OE1-NH1 3.41Å; R455-F468 VanDerWaalsContact CZ-CD2 3.44Å; R455-F468 VanDerWaalsContact NH1-CG 3.33Å; R455-F468 VanDerWaalsContact NH1-CZ 3.27Å |
| 456 | F | 91.8 | Very high | 81.3 | Confident | 7 Ų | 7 | 36.4 Ų | 36.4 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 148.2 | 175.2 | 65.4 | -94.2 | 0 | 0 | 0 | 110.8 | I353 A356 L358 G359 I361 I380 H389 L390 | I353-F456 HydrophobicContact CD1-CE1 3.6Å; I353-F456 HydrophobicContact CD1-CZ 3.68Å; I353-F456 HydrophobicContact CG2-CE2 4.32Å; I353-F456 HydrophobicContact CG2-CZ 3.95Å; A356-F456 HydrophobicContact CB-CD2 4.15Å; A356-F456 HydrophobicContact CB-CE2 3.8Å; L358-F456 CarbonylContact C-O 3.51Å; L358-F456 WeakPolarHBondContact CA-O 3.42Å; G359-F456 VanDerWaalsContact C-CE1 3.4Å; G359-F456 PolarHBondContact N-O 2.95Å; G359-F456 PolarHBondContact O-N 3.42Å; I361-F456 HydrophobicContact CG2-CD1 4.35Å; I361-F456 HydrophobicContact CG2-CE1 4.09Å; I380-F456 HydrophobicContact CD1-CB 3.99Å; I380-F456 HydrophobicContact CD1-CD1 3.83Å; I380-F456 HydrophobicContact CD1-CG 3.91Å; I380-F456 HydrophobicContact CG2-CD2 3.84Å; I380-F456 HydrophobicContact CG2-CE2 4.15Å; I380-F456 HydrophobicContact CG2-CG 4.12Å; H389-F456 VanDerWaalsContact O-CA 3.27Å; H389-F456 WeakPolarHBondContact O-CA 3.02Å; L390-F456 HydrophobicContact CD1-CB 3.99Å |
| 457 | E | 91.4 | Very high | 82.5 | Confident | 21 Ų | 21 | 35.5 Ų | 35.5 | 10% | 0.098 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 153.2 | 169.5 | 60.4 | 172.8 | -110.8 | 0 | 0 | 111.3 | T357 L358 L388 H389 A466 | T357-E457 CarbonylContact O-C 3.6Å; T357-E457 WeakPolarHBondContact O-CA 3.04Å; L358-E457 HydrophobicContact CD1-CB 3.9Å; L388-E457 CarbonylContact C-O 3.55Å; L388-E457 VanDerWaalsContact CA-O 3.29Å; L388-E457 WeakPolarHBondContact CA-O 3.41Å; H389-E457 HydrophobicContact CB-CG 3.93Å; H389-E457 PolarHBondContact N-O 3.38Å; H389-E457 PolarHBondContact O-N 2.87Å; E457-A466 WeakPolarHBondContact OE1-CA 3.33Å; E457-A466 WeakPolarHBondContact OE1-CB 3.04Å; E457-A466 PolarHBondContact OE1-N 2.85Å |
| 458 | A | 92.1 | Very high | 83.6 | Confident | 15 Ų | 15 | 34.3 Ų | 34.3 | 12% | 0.124 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 114.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | A356 T357 A382 R387 L388 | A356-A458 WeakPolarHBondContact O-CB 3.48Å; T357-A458 PolarHBondContact O-N 2.88Å; A382-A458 HydrophobicContact CB-CB 3.79Å; R387-A458 VanDerWaalsContact O-CA 3.31Å; R387-A458 WeakPolarHBondContact O-CA 3.02Å; L388-A458 HydrophobicContact CD2-CB 3.82Å |
| 459 | F | 91.3 | Very high | 84.8 | Confident | 21 Ų | 21 | 31.8 Ų | 31.8 | 9% | 0.092 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 158.1 | -177.9 | 68.9 | -77.9 | 0 | 0 | 0 | 110.7 | R386 R387 H389 I431 F465 | R386-F459 CarbonylContact C-O 3.57Å; R386-F459 WeakPolarHBondContact CA-O 3.19Å; R386-F459 WeakPolarHBondContact CB-O 3.29Å; R387-F459 HydrophobicContact CB-CD1 4.43Å; R387-F459 HydrophobicContact CB-CE1 3.83Å; R387-F459 HydrophobicContact CB-CE2 4.32Å; R387-F459 HydrophobicContact CB-CZ 3.77Å; R387-F459 PolarHBondContact N-O 2.86Å; R387-F459 WeakPolarHBondContact O-CD1 3.45Å; R387-F459 PolarHBondContact O-N 3.38Å; H389-F459 HydrophobicContact CB-CD1 4.34Å; H389-F459 HydrophobicContact CB-CE1 4.1Å; I431-F459 HydrophobicContact CG2-CE1 4.26Å; I431-F459 HydrophobicContact CG2-CZ 3.85Å; F459-F465 HydrophobicContact CB-CB 4.22Å; F459-F465 HydrophobicContact CD1-CB 3.64Å; F459-F465 HydrophobicContact CD2-CB 4.1Å; F459-F465 HydrophobicContact CE1-CB 3.94Å; F459-F465 HydrophobicContact CE2-CB 4.37Å; F459-F465 HydrophobicContact CG-CB 3.73Å; F459-F465 HydrophobicContact CZ-CB 4.29Å |
| 460 | E | 89.9 | Confident | 86 | Confident | 61 Ų | 61 | 30.1 Ų | 30.1 | 29% | 0.285 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 154.4 | 178.1 | -70.6 | 164 | -164.9 | 0 | 0 | 110.5 | R386 D462 R463 | R386-E460 HydrophobicContact CG-CG 3.68Å; R386-E460 IonicContact CZ-OE1 3.87Å; R386-E460 IonicContact NE-OE1 3.21Å; R386-E460 PolarHBondContact NE-OE1 3.39Å; R386-E460 VanDerWaalsContact NE-OE1 3.13Å; R386-E460 IonicContact NH2-OE1 3.35Å; R386-E460 PolarHBondContact NH2-OE1 3.25Å; E460-D462 WeakPolarHBondContact CB-OD1 3.08Å; E460-D462 PolarHBondContact O-N 2.73Å; E460-R463 HydrophobicContact CB-CG 4.34Å; E460-R463 VanDerWaalsContact O-CG 3.28Å; E460-R463 WeakPolarHBondContact O-CG 3.44Å; E460-R463 IonicContact OE2-CZ 2.72Å; E460-R463 IonicContact OE2-NE 2.71Å; E460-R463 IonicContact OE2-NH2 3.89Å; E460-R463 PolarHBondContact OE2-NH2 3.4Å |
| 461 | E | 85.7 | Confident | 87.2 | Confident | 112 Ų | 112 | 30.6 Ų | 30.6 | 52% | 0.523 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -7.5 | -174.2 | -167.8 | 165.4 | -144.6 | 0 | 0 | 114 | R387 | R387-E461 IonicContact CZ-OE1 3.27Å; R387-E461 IonicContact NE-OE1 3.02Å; R387-E461 PolarHBondContact NE-OE1 3.42Å; R387-E461 IonicContact NH2-OE1 2.82Å; R387-E461 PolarHBondContact NH2-OE1 3.49Å |
| 462 | D | 88.9 | Confident | 87.9 | Confident | 68 Ų | 68 | 31.2 Ų | 31.2 | 36% | 0.364 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | 6 | -178.5 | 77.9 | -38.9 | 0 | 0 | 0 | 114.7 | E460 R482 | E460-D462 WeakPolarHBondContact CB-OD1 3.08Å; E460-D462 PolarHBondContact O-N 2.73Å; D462-R482 IonicContact OD2-CZ 2.59Å; D462-R482 IonicContact OD2-NH1 2.78Å; D462-R482 PolarHBondContact OD2-NH1 2.88Å; D462-R482 IonicContact OD2-NH2 3.23Å; D462-R482 PolarHBondContact OD2-NH2 2.87Å |
| 463 | R | 90.6 | Very high | 88 | Confident | 33 Ų | 33 | 35.4 Ų | 35.4 | 13% | 0.125 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -155.2 | 163.7 | -168.3 | 63.8 | -172.9 | 77.6 | -142.1 | 21.5 | 111.5 | E460 E480 | E460-R463 HydrophobicContact CB-CG 4.34Å; E460-R463 VanDerWaalsContact O-CG 3.28Å; E460-R463 WeakPolarHBondContact O-CG 3.44Å; E460-R463 IonicContact OE2-CZ 2.72Å; E460-R463 IonicContact OE2-NE 2.71Å; E460-R463 IonicContact OE2-NH2 3.89Å; E460-R463 PolarHBondContact OE2-NH2 3.4Å; R463-E480 WeakPolarHBondContact CD-O 3.48Å; R463-E480 IonicContact CZ-OE2 3.89Å; R463-E480 VanDerWaalsContact NH1-CB 3.27Å; R463-E480 PolarHBondContact NH1-O 2.79Å; R463-E480 IonicContact NH1-OE2 3.29Å; R463-E480 PolarHBondContact NH1-OE2 3.23Å; R463-E480 IonicContact NH2-OE2 3.61Å; R463-E480 PolarHBondContact NH2-OE2 3.18Å |
| 464 | C | 90.9 | Very high | 88.2 | Confident | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.02 | 20% | 0.198 | C | C | . | . | trans | -76.7 | 154.8 | 169.8 | -63.7 | 0 | 0 | 0 | 0 | 111.6 | Y481 C508 H515 W516 | C464-Y481 PolarHBondContact N-O 2.87Å; C464-Y481 WeakPolarHBondContact O-CB 3.46Å; C464-C508 HydrophobicContact CB-CB 3.84Å; C464-C508 WeakPolarHBondContact CB-SG 3.33Å; C464-C508 PolarHBondContact N-SG 3.24Å; C464-C508 WeakPolarHBondContact SG-CA 3.46Å; C464-C508 WeakPolarHBondContact SG-CB 3.45Å; C464-C508 CovalentContact SG-SG 2.04Å; C464-C508 PolarHBondContact SG-SG 3.48Å; C464-H515 PolarHBondContact SG-N 2.83Å; C464-W516 HydrophobicContact CB-CD2 4.04Å; C464-W516 VanDerWaalsContact CB-CE2 3.46Å; C464-W516 HydrophobicContact CB-CG 4.43Å; C464-W516 HydrophobicContact CB-CH2 4.35Å; C464-W516 HydrophobicContact CB-CZ2 3.61Å | ||
| 465 | F | 89.4 | Confident | 88.3 | Confident | 19 Ų | 19 | 41.1 Ų | 41.1 | 8% | 0.083 | 22% | 0.223 | C | C | . | . | trans | -68.6 | 161.1 | 170.2 | 66.9 | -94.3 | 0 | 0 | 0 | 111.2 | H389 I431 F459 P467 W516 | H389-F465 HydrophobicContact CB-CB 4.15Å; H389-F465 HydrophobicContact CB-CD2 4.34Å; H389-F465 HydrophobicContact CB-CG 4.16Å; H389-F465 AromaticContact CD2-CE2 3.96Å; H389-F465 AromaticContact CD2-CZ 3.99Å; H389-F465 AromaticContact CE1-CD2 3.74Å; H389-F465 AromaticContact CE1-CE2 3.39Å; H389-F465 WeakPolarHBondContact CE1-CE2 3.43Å; H389-F465 AromaticContact CE1-CZ 3.99Å; H389-F465 AromaticContact CG-CD2 3.81Å; H389-F465 AromaticContact ND1-CD2 3.64Å; H389-F465 AromaticContact ND1-CE2 3.8Å; H389-F465 AromaticContact NE2-CE2 3.53Å; H389-F465 AromaticContact NE2-CZ 3.63Å; I431-F465 HydrophobicContact CD1-CD1 4.1Å; I431-F465 HydrophobicContact CD1-CE1 3.88Å; I431-F465 HydrophobicContact CG1-CE1 4.5Å; F459-F465 HydrophobicContact CB-CB 4.22Å; F459-F465 HydrophobicContact CD1-CB 3.64Å; F459-F465 HydrophobicContact CD2-CB 4.1Å; F459-F465 HydrophobicContact CE1-CB 3.94Å; F459-F465 HydrophobicContact CE2-CB 4.37Å; F459-F465 HydrophobicContact CG-CB 3.73Å; F459-F465 HydrophobicContact CZ-CB 4.29Å; F465-P467 WeakPolarHBondContact O-CD 3.25Å; F465-W516 AromaticContact CE1-CD1 3.65Å; F465-W516 AromaticContact CE2-CD1 3.97Å; F465-W516 AromaticContact CZ-CD1 3.57Å; F465-W516 WeakPolarHBondContact O-CZ2 3.46Å; F465-W516 PolarHBondContact O-NE1 2.9Å | ||
| 466 | A | 87.9 | Confident | 88.4 | Confident | 29 Ų | 29 | 42.4 Ų | 42.4 | 24% | 0.24 | 23% | 0.233 | C | C | . | . | trans | -77 | 115.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | E457 Y481 | E457-A466 WeakPolarHBondContact OE1-CA 3.33Å; E457-A466 WeakPolarHBondContact OE1-CB 3.04Å; E457-A466 PolarHBondContact OE1-N 2.85Å; A466-Y481 HydrophobicContact CB-CD2 4.08Å; A466-Y481 HydrophobicContact CB-CE2 3.52Å | ||
| 467 | P | 87.7 | Confident | 88.5 | Confident | 8 Ų | 8 | 46.8 Ų | 46.8 | 5% | 0.052 | 26% | 0.261 | C | S | . | . | trans | -73.1 | 140.3 | -174.9 | 26.9 | -30.1 | 0 | 0 | 0 | 111 | F465 V474 Y481 A487 F489 I506 W516 E520 | F465-P467 WeakPolarHBondContact O-CD 3.25Å; P467-V474 HydrophobicContact CG-CG1 4.29Å; P467-Y481 HydrophobicContact CG-CE1 4.3Å; P467-A487 HydrophobicContact CG-CB 3.58Å; P467-F489 HydrophobicContact CB-CE1 4.14Å; P467-F489 HydrophobicContact CB-CZ 3.98Å; P467-F489 HydrophobicContact CG-CZ 4.38Å; P467-I506 HydrophobicContact CB-CD1 3.98Å; P467-I506 HydrophobicContact CG-CD1 4.42Å; P467-W516 HydrophobicContact CG-CH2 4.33Å; P467-W516 HydrophobicContact CG-CZ2 3.79Å; P467-E520 WeakPolarHBondContact CA-OE1 3.36Å; P467-E520 HydrophobicContact CB-CG 3.49Å; P467-E520 VanDerWaalsContact CB-CG 3.49Å | ||
| 468 | F | 81.3 | Confident | 88.5 | Confident | 56 Ų | 56 | 47.9 Ų | 47.9 | 25% | 0.246 | 27% | 0.267 | C | S | . | . | trans | -113.7 | 142.5 | -171.8 | 169.7 | -97.1 | 0 | 0 | 0 | 113.2 | H391 R455 A470 E520 | H391-F468 AromaticContact CD2-CD1 3.95Å; H391-F468 AromaticContact CE1-CD1 3.66Å; H391-F468 AromaticContact NE2-CD1 3.33Å; H391-F468 VanDerWaalsContact NE2-CD1 3.33Å; H391-F468 WeakPolarHBondContact NE2-CD1 3.28Å; H391-F468 AromaticContact NE2-CE1 3.45Å; H391-F468 WeakPolarHBondContact NE2-CE1 3.42Å; R455-F468 VanDerWaalsContact CZ-CD2 3.44Å; R455-F468 VanDerWaalsContact NH1-CG 3.33Å; R455-F468 VanDerWaalsContact NH1-CZ 3.27Å; F468-A470 HydrophobicContact CE1-CB 3.72Å; F468-A470 HydrophobicContact CZ-CB 3.93Å; F468-E520 PolarHBondContact N-OE1 2.93Å | ||
| 469 | L | 83.9 | Confident | 88.4 | Confident | 10 Ų | 10 | 52.2 Ų | 52.2 | 5% | 0.052 | 29% | 0.294 | C | S | . | . | trans | -132.5 | 98.5 | 177.9 | -171.2 | 64.9 | 0 | 0 | 0 | 110.3 | H471 G472 V474 F489 S490 L497 P521 C523 | L469-H471 PolarHBondContact O-N 3.24Å; L469-G472 PolarHBondContact O-N 2.65Å; L469-V474 HydrophobicContact CB-CG2 3.7Å; L469-F489 HydrophobicContact CB-CD1 4.22Å; L469-F489 HydrophobicContact CD1-CD1 4.37Å; L469-F489 HydrophobicContact CD2-CB 4Å; L469-F489 HydrophobicContact CD2-CD1 4.03Å; L469-F489 HydrophobicContact CG-CD1 4.46Å; L469-S490 VanDerWaalsContact CD2-O 3.28Å; L469-S490 WeakPolarHBondContact CD2-O 3.04Å; L469-L497 HydrophobicContact CD1-CD2 4.41Å; L469-P521 HydrophobicContact CD1-CG 4.49Å; L469-P521 WeakPolarHBondContact CD1-O 3.43Å; L469-C523 HydrophobicContact CD1-CB 4.41Å; L469-C523 VanDerWaalsContact CD1-SG 3.56Å | ||
| 470 | A | 80.4 | Confident | 88.3 | Confident | 47 Ų | 47 | 55.6 Ų | 55.6 | 39% | 0.388 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 135.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | F468 G472 C523 | F468-A470 HydrophobicContact CE1-CB 3.72Å; F468-A470 HydrophobicContact CZ-CB 3.93Å; A470-G472 PolarHBondContact O-N 2.78Å; A470-C523 VanDerWaalsContact O-CB 3.29Å; A470-C523 WeakPolarHBondContact O-CB 3.25Å |
| 471 | H | 83.4 | Confident | 88.5 | Confident | 99 Ų | 99 | 54.7 Ų | 54.7 | 46% | 0.458 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 30.3 | -177.4 | -52.5 | -72.9 | 0 | 0 | 0 | 115.2 | L469 L492 Y495 C523 | L469-H471 PolarHBondContact O-N 3.24Å; H471-L492 WeakPolarHBondContact O-CB 3.29Å; H471-L492 WeakPolarHBondContact O-CG 3.46Å; H471-L492 PolarHBondContact O-N 3.02Å; H471-Y495 HydrophobicContact CB-CD1 3.56Å; H471-Y495 HydrophobicContact CB-CD2 4.16Å; H471-Y495 HydrophobicContact CB-CE1 3.49Å; H471-Y495 VanDerWaalsContact CB-CE1 3.49Å; H471-Y495 HydrophobicContact CB-CE2 4.11Å; H471-Y495 HydrophobicContact CB-CG 3.91Å; H471-Y495 AromaticContact CD2-CE1 3.58Å; H471-Y495 PolarHBondContact CE1-OH 2.78Å; H471-Y495 AromaticContact CG-CD1 3.98Å; H471-Y495 AromaticContact CG-CE1 3.36Å; H471-Y495 AromaticContact CG-CZ 3.52Å; H471-Y495 AromaticContact ND1-CE1 3.87Å; H471-Y495 AromaticContact ND1-CZ 3.53Å; H471-Y495 PolarHBondContact ND1-OH 3.3Å; H471-C523 HydrophobicContact CB-CB 4.36Å |
| 472 | G | 85.9 | Confident | 88.8 | Confident | 15 Ų | 15 | 53.6 Ų | 53.6 | 16% | 0.155 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | -178.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L469 A470 S490 | L469-G472 PolarHBondContact O-N 2.65Å; A470-G472 PolarHBondContact O-N 2.78Å; G472-S490 CarbonylContact C-O 3.47Å; G472-S490 WeakPolarHBondContact CA-O 3.24Å |
| 473 | N | 88.3 | Confident | 89.1 | Confident | 93 Ų | 93 | 52.6 Ų | 52.6 | 50% | 0.497 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 143 | 174.9 | -57.1 | -48.8 | 0 | 0 | 0 | 109.5 | S490 | N473-S490 PolarHBondContact N-O 3.44Å; N473-S490 PolarHBondContact O-N 3.07Å; N473-S490 PolarHBondContact O-OG 2.79Å |
| 474 | V | 90.8 | Very high | 89.2 | Confident | 42 Ų | 42 | 53.4 Ų | 53.4 | 26% | 0.255 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 135 | 174.9 | -166.1 | 0 | 0 | 0 | 0 | 109.4 | P467 L469 A487 T488 F489 | P467-V474 HydrophobicContact CG-CG1 4.29Å; L469-V474 HydrophobicContact CB-CG2 3.7Å; V474-A487 HydrophobicContact CG1-CB 4.13Å; V474-T488 WeakPolarHBondContact CA-O 3.12Å; V474-F489 HydrophobicContact CB-CD1 4.46Å; V474-F489 HydrophobicContact CG1-CD1 4.02Å; V474-F489 HydrophobicContact CG1-CE1 3.84Å; V474-F489 HydrophobicContact CG2-CD1 3.81Å; V474-F489 HydrophobicContact CG2-CE1 3.88Å |
| 475 | T | 92.1 | Very high | 89.3 | Confident | 86 Ų | 86 | 53.3 Ų | 53.3 | 53% | 0.528 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 130.7 | 175.8 | 34.4 | 0 | 0 | 0 | 0 | 110.6 | T488 | T475-T488 PolarHBondContact N-O 3.33Å; T475-T488 PolarHBondContact O-N 2.69Å; T475-T488 PolarHBondContact O-OG1 3.03Å; T475-T488 PolarHBondContact OG1-OG1 2.81Å |
| 476 | T | 92.7 | Very high | 89.6 | Confident | 45 Ų | 45 | 55.5 Ų | 55.5 | 28% | 0.276 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 150.6 | -174.5 | 178.7 | 0 | 0 | 0 | 0 | 112.5 | D478 Y481 L486 | T476-D478 VanDerWaalsContact C-N 3.31Å; T476-D478 VanDerWaalsContact CG2-O 3.25Å; T476-D478 WeakPolarHBondContact CG2-O 2.99Å; T476-D478 PolarHBondContact OG1-N 3.13Å; T476-D478 VanDerWaalsContact OG1-N 3.12Å; T476-D478 PolarHBondContact OG1-O 2.69Å; T476-Y481 HydrophobicContact CG2-CE1 3.75Å; T476-L486 WeakPolarHBondContact CA-O 3.38Å |
| 477 | T | 93.9 | Very high | 89.8 | Confident | 100 Ų | 100 | 54.1 Ų | 54.1 | 61% | 0.613 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -73.5 | -22.1 | 169.6 | 57.9 | 0 | 0 | 0 | 0 | 113.3 | L486 | T477-L486 HydrophobicContact CG2-CB 4.01Å; T477-L486 PolarHBondContact N-O 3.3Å; T477-L486 VanDerWaalsContact N-O 3.09Å; T477-L486 PolarHBondContact OG1-N 2.72Å |
| 478 | D | 92.4 | Very high | 90 | Very high | 43 Ų | 43 | 55.7 Ų | 55.7 | 23% | 0.23 | 32% | 0.321 | C | S | . | . | trans | -138.8 | 116.9 | 175.6 | 177.6 | 13.7 | 0 | 0 | 0 | 109.7 | T476 E480 Y481 R482 A485 | T476-D478 VanDerWaalsContact C-N 3.31Å; T476-D478 VanDerWaalsContact CG2-O 3.25Å; T476-D478 WeakPolarHBondContact CG2-O 2.99Å; T476-D478 PolarHBondContact OG1-N 3.13Å; T476-D478 VanDerWaalsContact OG1-N 3.12Å; T476-D478 PolarHBondContact OG1-O 2.69Å; D478-E480 PolarHBondContact O-N 2.04Å; D478-E480 WeakPolarHBondContact OD1-CB 3.08Å; D478-E480 PolarHBondContact OD1-N 3.46Å; D478-Y481 PolarHBondContact O-N 3.35Å; D478-R482 VanDerWaalsContact OD2-CB 3.31Å; D478-R482 WeakPolarHBondContact OD2-CB 3.24Å; D478-R482 WeakPolarHBondContact OD2-CG 3.43Å; D478-R482 PolarHBondContact OD2-N 3.32Å; D478-A485 HydrophobicContact CB-CB 3.91Å | ||
| 479 | P | 89.6 | Confident | 90.4 | Very high | 107 Ų | 107 | 53.5 Ų | 53.5 | 70% | 0.695 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -12.7 | 176.9 | 30.8 | -37.4 | 0 | 0 | 0 | 113.6 | ||
| 480 | E | 89.3 | Confident | 90.6 | Very high | 92 Ų | 92 | 55.4 Ų | 55.4 | 43% | 0.43 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 1.8 | 175.1 | -87.3 | -163.7 | -134.5 | 0 | 0 | 114.1 | R463 D478 R482 | R463-E480 WeakPolarHBondContact CD-O 3.48Å; R463-E480 IonicContact CZ-OE2 3.89Å; R463-E480 VanDerWaalsContact NH1-CB 3.27Å; R463-E480 PolarHBondContact NH1-O 2.79Å; R463-E480 IonicContact NH1-OE2 3.29Å; R463-E480 PolarHBondContact NH1-OE2 3.23Å; R463-E480 IonicContact NH2-OE2 3.61Å; R463-E480 PolarHBondContact NH2-OE2 3.18Å; D478-E480 PolarHBondContact O-N 2.04Å; D478-E480 WeakPolarHBondContact OD1-CB 3.08Å; D478-E480 PolarHBondContact OD1-N 3.46Å; E480-R482 VanDerWaalsContact C-N 3.26Å; E480-R482 HydrophobicContact CB-CG 4.1Å; E480-R482 PolarHBondContact O-N 2.99Å; E480-R482 IonicContact OE2-CZ 2.65Å; E480-R482 VanDerWaalsContact OE2-CZ 3.27Å; E480-R482 IonicContact OE2-NE 2.92Å; E480-R482 PolarHBondContact OE2-NE 2.94Å; E480-R482 IonicContact OE2-NH2 3.21Å; E480-R482 PolarHBondContact OE2-NH2 2.99Å |
| 481 | Y | 92.4 | Very high | 91 | Very high | 41 Ų | 41 | 54.6 Ų | 54.6 | 16% | 0.161 | 32% | 0.316 | C | S | . | . | trans | 49.7 | 37.7 | 174.1 | -59.8 | -66.3 | 0 | 0 | 0 | 115.2 | C464 A466 P467 T476 D478 A487 C508 W516 | C464-Y481 PolarHBondContact N-O 2.87Å; C464-Y481 WeakPolarHBondContact O-CB 3.46Å; A466-Y481 HydrophobicContact CB-CD2 4.08Å; A466-Y481 HydrophobicContact CB-CE2 3.52Å; P467-Y481 HydrophobicContact CG-CE1 4.3Å; T476-Y481 HydrophobicContact CG2-CE1 3.75Å; D478-Y481 PolarHBondContact O-N 3.35Å; Y481-A487 HydrophobicContact CE1-CB 4.44Å; Y481-C508 PolarHBondContact O-SG 2.82Å; Y481-C508 VanDerWaalsContact O-SG 3.32Å; Y481-W516 AromaticContact CD1-CH2 3.75Å; Y481-W516 HydrophobicContact CD1-CH2 3.75Å; Y481-W516 AromaticContact CD1-CZ2 3.73Å; Y481-W516 HydrophobicContact CD1-CZ2 3.73Å; Y481-W516 HydrophobicContact CE1-CH2 4.41Å; Y481-W516 HydrophobicContact CE1-CZ2 4.37Å; Y481-W516 HydrophobicContact CG-CZ2 4.2Å | ||
| 482 | R | 93.8 | Very high | 91.1 | Very high | 90 Ų | 90 | 53.1 Ų | 53.1 | 34% | 0.34 | 31% | 0.312 | S | S | . | . | trans | -72.6 | 160.2 | -179.5 | -60 | -180 | 163.7 | -70.8 | -7.4 | 111.3 | D462 D478 E480 G484 A485 | D462-R482 IonicContact OD2-CZ 2.59Å; D462-R482 IonicContact OD2-NH1 2.78Å; D462-R482 PolarHBondContact OD2-NH1 2.88Å; D462-R482 IonicContact OD2-NH2 3.23Å; D462-R482 PolarHBondContact OD2-NH2 2.87Å; D478-R482 VanDerWaalsContact OD2-CB 3.31Å; D478-R482 WeakPolarHBondContact OD2-CB 3.24Å; D478-R482 WeakPolarHBondContact OD2-CG 3.43Å; D478-R482 PolarHBondContact OD2-N 3.32Å; E480-R482 VanDerWaalsContact C-N 3.26Å; E480-R482 HydrophobicContact CB-CG 4.1Å; E480-R482 PolarHBondContact O-N 2.99Å; E480-R482 IonicContact OE2-CZ 2.65Å; E480-R482 VanDerWaalsContact OE2-CZ 3.27Å; E480-R482 IonicContact OE2-NE 2.92Å; E480-R482 PolarHBondContact OE2-NE 2.94Å; E480-R482 IonicContact OE2-NH2 3.21Å; E480-R482 PolarHBondContact OE2-NH2 2.99Å; R482-G484 PolarHBondContact O-N 2.77Å; R482-A485 WeakPolarHBondContact O-CB 3.45Å; R482-A485 PolarHBondContact O-N 3.1Å | ||
| 483 | P | 94.4 | Very high | 90.9 | Very high | 47 Ų | 47 | 58.6 Ų | 58.6 | 31% | 0.305 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 125.6 | 175.1 | -29.2 | 36.2 | 0 | 0 | 0 | 112.6 | C508 P511 P514 | P483-C508 CarbonylContact C-O 3.46Å; P483-C508 WeakPolarHBondContact CA-O 3.41Å; P483-P511 HydrophobicContact CB-CB 4.35Å; P483-P511 HydrophobicContact CB-CG 4.22Å; P483-P514 HydrophobicContact CG-CB 4.15Å; P483-P514 HydrophobicContact CG-CG 3.95Å |
| 484 | G | 92.3 | Very high | 90.3 | Very high | 49 Ų | 49 | 55.2 Ų | 55.2 | 51% | 0.505 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.1 | 0 | -168.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | R482 C508 | R482-G484 PolarHBondContact O-N 2.77Å; G484-C508 PolarHBondContact N-O 3.07Å |
| 485 | A | 94 | Very high | 89.9 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 2% | 0.017 | 33% | 0.333 | C | S | . | . | trans | -75 | 132.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | D478 R482 E507 C508 | D478-A485 HydrophobicContact CB-CB 3.91Å; R482-A485 WeakPolarHBondContact O-CB 3.45Å; R482-A485 PolarHBondContact O-N 3.1Å; A485-E507 CarbonylContact O-C 3.53Å; A485-E507 WeakPolarHBondContact O-CA 3.43Å; A485-C508 HydrophobicContact CB-CB 4.34Å; A485-C508 PolarHBondContact O-N 3.19Å | ||
| 486 | L | 94.1 | Very high | 89.4 | Confident | 65 Ų | 65 | 54.5 Ų | 54.5 | 34% | 0.34 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 113.6 | 175 | -174.9 | 78.1 | 0 | 0 | 0 | 109.8 | T476 T477 T488 A505 I506 E507 | T476-L486 WeakPolarHBondContact CA-O 3.38Å; T477-L486 HydrophobicContact CG2-CB 4.01Å; T477-L486 PolarHBondContact N-O 3.3Å; T477-L486 VanDerWaalsContact N-O 3.09Å; T477-L486 PolarHBondContact OG1-N 2.72Å; L486-T488 HydrophobicContact CD2-CG2 4.09Å; L486-T488 HydrophobicContact CG-CG2 4.22Å; L486-A505 HydrophobicContact CD1-CB 3.97Å; L486-A505 HydrophobicContact CD2-CB 4.46Å; L486-A505 HydrophobicContact CG-CB 4.18Å; L486-I506 CarbonylContact C-O 3.59Å; L486-I506 WeakPolarHBondContact CA-O 3.33Å; L486-E507 HydrophobicContact CD1-CB 4.24Å |
| 487 | A | 93.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 131.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | P467 V474 Y481 A505 I506 W516 | P467-A487 HydrophobicContact CG-CB 3.58Å; V474-A487 HydrophobicContact CG1-CB 4.13Å; Y481-A487 HydrophobicContact CE1-CB 4.44Å; A487-A505 CarbonylContact O-C 3.59Å; A487-A505 WeakPolarHBondContact O-CA 3.47Å; A487-A505 WeakPolarHBondContact O-CB 3.28Å; A487-I506 HydrophobicContact CB-CG1 4.14Å; A487-I506 PolarHBondContact N-O 2.8Å; A487-I506 PolarHBondContact O-N 3.19Å; A487-W516 HydrophobicContact CB-CH2 3.82Å; A487-W516 HydrophobicContact CB-CZ2 4.5Å; A487-W516 HydrophobicContact CB-CZ3 4.06Å |
| 488 | T | 91.9 | Very high | 88.5 | Confident | 40 Ų | 40 | 53.9 Ų | 53.9 | 25% | 0.245 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 136.9 | -173.4 | 58 | 0 | 0 | 0 | 0 | 110.4 | V474 T475 L486 A505 | V474-T488 WeakPolarHBondContact CA-O 3.12Å; T475-T488 PolarHBondContact N-O 3.33Å; T475-T488 PolarHBondContact O-N 2.69Å; T475-T488 PolarHBondContact O-OG1 3.03Å; T475-T488 PolarHBondContact OG1-OG1 2.81Å; L486-T488 HydrophobicContact CD2-CG2 4.09Å; L486-T488 HydrophobicContact CG-CG2 4.22Å; T488-A505 HydrophobicContact CG2-CB 3.7Å |
| 489 | F | 90.2 | Very high | 87.7 | Confident | 10 Ų | 10 | 56.4 Ų | 56.4 | 4% | 0.044 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 142.6 | -168.6 | -61.3 | -74.8 | 0 | 0 | 0 | 113 | P467 L469 V474 L497 N504 I506 E520 P521 | P467-F489 HydrophobicContact CB-CE1 4.14Å; P467-F489 HydrophobicContact CB-CZ 3.98Å; P467-F489 HydrophobicContact CG-CZ 4.38Å; L469-F489 HydrophobicContact CB-CD1 4.22Å; L469-F489 HydrophobicContact CD1-CD1 4.37Å; L469-F489 HydrophobicContact CD2-CB 4Å; L469-F489 HydrophobicContact CD2-CD1 4.03Å; L469-F489 HydrophobicContact CG-CD1 4.46Å; V474-F489 HydrophobicContact CB-CD1 4.46Å; V474-F489 HydrophobicContact CG1-CD1 4.02Å; V474-F489 HydrophobicContact CG1-CE1 3.84Å; V474-F489 HydrophobicContact CG2-CD1 3.81Å; V474-F489 HydrophobicContact CG2-CE1 3.88Å; F489-L497 HydrophobicContact CB-CD2 4.26Å; F489-N504 PolarHBondContact N-O 3.21Å; F489-I506 HydrophobicContact CE2-CB 4.36Å; F489-I506 HydrophobicContact CE2-CD1 3.94Å; F489-I506 HydrophobicContact CE2-CG1 3.69Å; F489-I506 HydrophobicContact CE2-CG2 4.08Å; F489-I506 HydrophobicContact CZ-CD1 3.64Å; F489-I506 HydrophobicContact CZ-CG1 3.81Å; F489-E520 HydrophobicContact CE1-CB 4.11Å; F489-E520 HydrophobicContact CE1-CG 3.94Å; F489-E520 HydrophobicContact CZ-CB 4.04Å; F489-E520 HydrophobicContact CZ-CG 3.75Å; F489-P521 HydrophobicContact CB-CG 3.83Å; F489-P521 HydrophobicContact CD1-CG 4.38Å; F489-P521 HydrophobicContact CD2-CG 3.78Å; F489-P521 HydrophobicContact CE2-CG 4.45Å; F489-P521 HydrophobicContact CG-CG 3.74Å |
| 490 | S | 88.4 | Confident | 86.5 | Confident | 50 Ų | 50 | 57.1 Ų | 57.1 | 35% | 0.35 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 131.5 | 176.8 | 60.4 | 0 | 0 | 0 | 0 | 111.4 | L469 G472 N473 | L469-S490 VanDerWaalsContact CD2-O 3.28Å; L469-S490 WeakPolarHBondContact CD2-O 3.04Å; G472-S490 CarbonylContact C-O 3.47Å; G472-S490 WeakPolarHBondContact CA-O 3.24Å; N473-S490 PolarHBondContact N-O 3.44Å; N473-S490 PolarHBondContact O-N 3.07Å; N473-S490 PolarHBondContact O-OG 2.79Å |
| 491 | C | 87.6 | Confident | 85.3 | Confident | 30 Ų | 30 | 54.6 Ų | 54.6 | 20% | 0.203 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 154.5 | 177.9 | -61 | 0 | 0 | 0 | 0 | 112.8 | Y495 L497 C523 | C491-Y495 WeakPolarHBondContact CB-O 3.34Å; C491-L497 WeakPolarHBondContact SG-CD2 3.32Å; C491-L497 PolarHBondContact SG-N 3.08Å; C491-L497 VanDerWaalsContact SG-N 3.41Å; C491-C523 WeakPolarHBondContact CA-SG 3.21Å; C491-C523 HydrophobicContact CB-CB 3.91Å; C491-C523 WeakPolarHBondContact CB-SG 3.43Å; C491-C523 VanDerWaalsContact SG-CA 3.56Å; C491-C523 WeakPolarHBondContact SG-CB 3.18Å; C491-C523 CovalentContact SG-SG 2.03Å; C491-C523 PolarHBondContact SG-SG 2.59Å |
| 492 | L | 86.6 | Confident | 84.1 | Confident | 69 Ų | 69 | 58.3 Ų | 58.3 | 36% | 0.361 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 154.9 | 169.3 | -66.3 | 175.8 | 0 | 0 | 0 | 111 | H471 G494 Y495 | H471-L492 WeakPolarHBondContact O-CB 3.29Å; H471-L492 WeakPolarHBondContact O-CG 3.46Å; H471-L492 PolarHBondContact O-N 3.02Å; L492-G494 PolarHBondContact O-N 2.88Å; L492-Y495 HydrophobicContact CB-CD2 4.42Å; L492-Y495 WeakPolarHBondContact O-CB 3.47Å; L492-Y495 PolarHBondContact O-N 2.73Å |
| 493 | P | 81.3 | Confident | 82.7 | Confident | 129 Ų | 129 | 57.3 Ų | 57.3 | 84% | 0.838 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 130 | 175.6 | -26.3 | 35.2 | 0 | 0 | 0 | 112 | ||
| 494 | G | 75.7 | Confident | 82.1 | Confident | 23 Ų | 23 | 59 Ų | 59 | 24% | 0.237 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94.7 | -6.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | L492 M526 | L492-G494 PolarHBondContact O-N 2.88Å; G494-M526 WeakPolarHBondContact O-CB 3.04Å; G494-M526 PolarHBondContact O-N 2.04Å |
| 495 | Y | 81.9 | Confident | 82 | Confident | 70 Ų | 70 | 57.7 Ų | 57.7 | 28% | 0.275 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 156.3 | 175.2 | -65.3 | -105.9 | 0 | 0 | 0 | 111.4 | H471 C491 L492 K524 V525 | H471-Y495 HydrophobicContact CB-CD1 3.56Å; H471-Y495 HydrophobicContact CB-CD2 4.16Å; H471-Y495 HydrophobicContact CB-CE1 3.49Å; H471-Y495 VanDerWaalsContact CB-CE1 3.49Å; H471-Y495 HydrophobicContact CB-CE2 4.11Å; H471-Y495 HydrophobicContact CB-CG 3.91Å; H471-Y495 AromaticContact CD2-CE1 3.58Å; H471-Y495 PolarHBondContact CE1-OH 2.78Å; H471-Y495 AromaticContact CG-CD1 3.98Å; H471-Y495 AromaticContact CG-CE1 3.36Å; H471-Y495 AromaticContact CG-CZ 3.52Å; H471-Y495 AromaticContact ND1-CE1 3.87Å; H471-Y495 AromaticContact ND1-CZ 3.53Å; H471-Y495 PolarHBondContact ND1-OH 3.3Å; C491-Y495 WeakPolarHBondContact CB-O 3.34Å; L492-Y495 HydrophobicContact CB-CD2 4.42Å; L492-Y495 WeakPolarHBondContact O-CB 3.47Å; L492-Y495 PolarHBondContact O-N 2.73Å; Y495-K524 CarbonylContact C-O 3.52Å; Y495-K524 VanDerWaalsContact CA-O 3.24Å; Y495-K524 WeakPolarHBondContact CA-O 3.47Å; Y495-V525 HydrophobicContact CD1-CB 4.09Å; Y495-V525 HydrophobicContact CE1-CB 3.87Å |
| 496 | A | 82.3 | Confident | 81.8 | Confident | 42 Ų | 42 | 57.7 Ų | 57.7 | 35% | 0.347 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 151.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | C523 K524 M526 | A496-C523 WeakPolarHBondContact O-CA 3.45Å; A496-K524 PolarHBondContact N-O 2.83Å; A496-K524 PolarHBondContact O-N 2.86Å; A496-M526 HydrophobicContact CB-CG 3.74Å; A496-M526 HydrophobicContact CB-SD 4Å |
| 497 | L | 84.9 | Confident | 81.8 | Confident | 44 Ų | 44 | 58.6 Ų | 58.6 | 23% | 0.23 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 131.3 | 178.3 | -64.8 | 170.3 | 0 | 0 | 0 | 110.7 | L469 F489 C491 P499 N504 P521 A522 | L469-L497 HydrophobicContact CD1-CD2 4.41Å; F489-L497 HydrophobicContact CB-CD2 4.26Å; C491-L497 WeakPolarHBondContact SG-CD2 3.32Å; C491-L497 PolarHBondContact SG-N 3.08Å; C491-L497 VanDerWaalsContact SG-N 3.41Å; L497-P499 CarbonylContact O-C 3.44Å; L497-N504 HydrophobicContact CD1-CB 4.19Å; L497-P521 HydrophobicContact CD2-CB 4.02Å; L497-P521 HydrophobicContact CD2-CG 3.68Å; L497-A522 CarbonylContact C-O 3.43Å; L497-A522 WeakPolarHBondContact CA-O 3.47Å |
| 498 | E | 81.7 | Confident | 81.8 | Confident | 88 Ų | 88 | 58.6 Ų | 58.6 | 41% | 0.411 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 125.3 | 169.7 | -165.2 | 171.4 | -116.3 | 0 | 0 | 108.1 | A522 K524 | E498-A522 PolarHBondContact N-O 2.65Å; E498-A522 PolarHBondContact O-N 3.36Å; E498-K524 VanDerWaalsContact CD-CD 3.49Å; E498-K524 WeakPolarHBondContact OE1-CD 3.31Å; E498-K524 IonicContact OE1-NZ 3.74Å; E498-K524 PolarHBondContact OE1-NZ 3.27Å; E498-K524 WeakPolarHBondContact OE2-CD 3.07Å; E498-K524 WeakPolarHBondContact OE2-CE 3.41Å; E498-K524 IonicContact OE2-NZ 2.75Å; E498-K524 PolarHBondContact OE2-NZ 3.17Å |
| 499 | P | 75.3 | Confident | 81.8 | Confident | 96 Ų | 96 | 58.6 Ų | 58.6 | 62% | 0.623 | 36% | 0.362 | S | S | * | . | S | Bend | cis | -69.5 | 148.4 | -0.5 | 30.6 | -36 | 0 | 0 | 0 | 113.5 | L497 G501 | L497-P499 CarbonylContact O-C 3.44Å; P499-G501 PolarHBondContact O-N 3Å |
| 500 | P | 65.8 | Low | 81.8 | Confident | 122 Ų | 122 | 61.4 Ų | 61.4 | 79% | 0.792 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -78.8 | 81.4 | -178.2 | 31.9 | -35.9 | 0 | 0 | 0 | 112.1 | ||
| 501 | G | 63.1 | Low | 81.8 | Confident | 40 Ų | 40 | 64.4 Ų | 64.4 | 41% | 0.412 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -178.3 | -180 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | P499 | P499-G501 PolarHBondContact O-N 3Š|
| 502 | P | 67.3 | Low | 81.8 | Confident | 119 Ų | 119 | 69.1 Ų | 69.1 | 77% | 0.773 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -71.2 | 149.7 | 162.6 | 31.8 | -33.3 | 0 | 0 | 0 | 110.4 | ||
| 503 | P | 65.5 | Low | 81.8 | Confident | 68 Ų | 68 | 72.2 Ų | 72.2 | 44% | 0.442 | 44% | 0.436 | S | S | . | . | cis | -76.6 | 123 | 4.1 | 28.3 | -32.2 | 0 | 0 | 0 | 113.6 | A505 D518 | P503-A505 WeakPolarHBondContact CB-O 3.48Å; P503-A505 PolarHBondContact O-N 2.92Å; P503-D518 WeakPolarHBondContact CG-OD2 3.01Å | ||
| 504 | N | 81.6 | Confident | 82.2 | Confident | 84 Ų | 84 | 67.3 Ų | 67.3 | 45% | 0.449 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -89.2 | 17.2 | 163.7 | 70.1 | -60.6 | 0 | 0 | 0 | 111.3 | F489 L497 | F489-N504 PolarHBondContact N-O 3.21Å; L497-N504 HydrophobicContact CD1-CB 4.19Å |
| 505 | A | 89.1 | Confident | 82.8 | Confident | 21 Ų | 21 | 70.7 Ų | 70.7 | 17% | 0.174 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 136.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | L486 A487 T488 P503 | L486-A505 HydrophobicContact CD1-CB 3.97Å; L486-A505 HydrophobicContact CD2-CB 4.46Å; L486-A505 HydrophobicContact CG-CB 4.18Å; A487-A505 CarbonylContact O-C 3.59Å; A487-A505 WeakPolarHBondContact O-CA 3.47Å; A487-A505 WeakPolarHBondContact O-CB 3.28Å; T488-A505 HydrophobicContact CG2-CB 3.7Å; P503-A505 WeakPolarHBondContact CB-O 3.48Å; P503-A505 PolarHBondContact O-N 2.92Å |
| 506 | I | 91.2 | Very high | 83.2 | Confident | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.005 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 150 | 178.4 | 60.5 | -178.6 | 0 | 0 | 0 | 110.8 | P467 L486 A487 F489 W516 N517 D518 T519 E520 | P467-I506 HydrophobicContact CB-CD1 3.98Å; P467-I506 HydrophobicContact CG-CD1 4.42Å; L486-I506 CarbonylContact C-O 3.59Å; L486-I506 WeakPolarHBondContact CA-O 3.33Å; A487-I506 HydrophobicContact CB-CG1 4.14Å; A487-I506 PolarHBondContact N-O 2.8Å; A487-I506 PolarHBondContact O-N 3.19Å; F489-I506 HydrophobicContact CE2-CB 4.36Å; F489-I506 HydrophobicContact CE2-CD1 3.94Å; F489-I506 HydrophobicContact CE2-CG1 3.69Å; F489-I506 HydrophobicContact CE2-CG2 4.08Å; F489-I506 HydrophobicContact CZ-CD1 3.64Å; F489-I506 HydrophobicContact CZ-CG1 3.81Å; I506-W516 HydrophobicContact CB-CE3 4.01Å; I506-W516 HydrophobicContact CD1-CB 4.02Å; I506-W516 HydrophobicContact CD1-CD2 3.61Å; I506-W516 HydrophobicContact CD1-CE3 3.74Å; I506-W516 HydrophobicContact CD1-CG 3.72Å; I506-W516 HydrophobicContact CD1-CZ3 4.45Å; I506-W516 HydrophobicContact CG1-CD2 3.92Å; I506-W516 HydrophobicContact CG1-CE3 3.47Å; I506-W516 VanDerWaalsContact CG1-CE3 3.47Å; I506-W516 HydrophobicContact CG1-CG 4.44Å; I506-W516 HydrophobicContact CG1-CZ3 3.89Å; I506-W516 WeakPolarHBondContact O-CZ3 3.41Å; I506-N517 WeakPolarHBondContact CA-OD1 3.33Å; I506-D518 HydrophobicContact CG2-CB 3.92Å; I506-T519 WeakPolarHBondContact CG2-O 3.35Å; I506-E520 HydrophobicContact CD1-CG 4.21Å |
| 507 | E | 92.4 | Very high | 83.6 | Confident | 84 Ų | 84 | 69.9 Ų | 69.9 | 39% | 0.393 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 134.4 | -178.2 | -169.1 | -179.5 | 172.7 | 0 | 0 | 110.2 | A485 L486 V509 N517 | A485-E507 CarbonylContact O-C 3.53Å; A485-E507 WeakPolarHBondContact O-CA 3.43Å; L486-E507 HydrophobicContact CD1-CB 4.24Å; E507-V509 HydrophobicContact CB-CG1 4.31Å; E507-V509 HydrophobicContact CG-CG1 4.22Å; E507-V509 PolarHBondContact O-N 3.3Å; E507-N517 PolarHBondContact N-OD1 3.4Å; E507-N517 PolarHBondContact O-N 2.9Å; E507-N517 PolarHBondContact O-OD1 3.45Å |
| 508 | C | 94.2 | Very high | 83.7 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 108.4 | 173.4 | -176.6 | 0 | 0 | 0 | 0 | 108 | C464 Y481 P483 G484 A485 W516 | C464-C508 HydrophobicContact CB-CB 3.84Å; C464-C508 WeakPolarHBondContact CB-SG 3.33Å; C464-C508 PolarHBondContact N-SG 3.24Å; C464-C508 WeakPolarHBondContact SG-CA 3.46Å; C464-C508 WeakPolarHBondContact SG-CB 3.45Å; C464-C508 CovalentContact SG-SG 2.04Å; C464-C508 PolarHBondContact SG-SG 3.48Å; Y481-C508 PolarHBondContact O-SG 2.82Å; Y481-C508 VanDerWaalsContact O-SG 3.32Å; P483-C508 CarbonylContact C-O 3.46Å; P483-C508 WeakPolarHBondContact CA-O 3.41Å; G484-C508 PolarHBondContact N-O 3.07Å; A485-C508 HydrophobicContact CB-CB 4.34Å; A485-C508 PolarHBondContact O-N 3.19Å; C508-W516 HydrophobicContact CB-CE3 4.06Å; C508-W516 HydrophobicContact CB-CH2 3.97Å; C508-W516 HydrophobicContact CB-CZ3 3.73Å; C508-W516 VanDerWaalsContact N-CE3 3.34Å |
| 509 | V | 92.6 | Very high | 83.7 | Confident | 41 Ų | 41 | 68.2 Ų | 68.2 | 25% | 0.248 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 168.3 | -174.2 | -66.5 | 0 | 0 | 0 | 0 | 111.8 | E507 P514 H515 N517 | E507-V509 HydrophobicContact CB-CG1 4.31Å; E507-V509 HydrophobicContact CG-CG1 4.22Å; E507-V509 PolarHBondContact O-N 3.3Å; V509-P514 WeakPolarHBondContact O-CA 3.36Å; V509-H515 VanDerWaalsContact CG2-O 3.29Å; V509-H515 WeakPolarHBondContact CG2-O 3.44Å; V509-H515 PolarHBondContact N-O 2.89Å; V509-H515 PolarHBondContact O-N 3.5Å; V509-H515 VanDerWaalsContact O-N 3.07Å; V509-N517 HydrophobicContact CG1-CB 3.92Å; V509-N517 HydrophobicContact CG2-CB 3.82Å |
| 510 | D | 89.8 | Confident | 84.1 | Confident | 68 Ų | 68 | 65 Ų | 65 | 36% | 0.364 | 38% | 0.38 | S | S | . | . | trans | 60.9 | 102.9 | -176 | -156.7 | -58.5 | 0 | 0 | 0 | 115.3 | T512 E513 P514 | D510-T512 PolarHBondContact O-N 2.89Å; D510-T512 VanDerWaalsContact O-N 3.11Å; D510-T512 VanDerWaalsContact OD1-CA 3.32Å; D510-T512 WeakPolarHBondContact OD1-CA 3.35Å; D510-T512 WeakPolarHBondContact OD1-CB 3.42Å; D510-T512 PolarHBondContact OD1-N 3.37Å; D510-T512 PolarHBondContact OD1-OG1 3.02Å; D510-E513 CarbonylContact O-C 3.55Å; D510-E513 PolarHBondContact OD1-N 2.85Å; D510-P514 VanDerWaalsContact O-CA 3.32Å; D510-P514 WeakPolarHBondContact O-CA 3.5Å | ||
| 511 | P | 88.8 | Confident | 85 | Confident | 114 Ų | 114 | 59.9 Ų | 59.9 | 74% | 0.74 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -69.8 | 1.6 | 176 | -20.7 | 34.1 | 0 | 0 | 0 | 116.1 | P483 | P483-P511 HydrophobicContact CB-CB 4.35Å; P483-P511 HydrophobicContact CB-CG 4.22Å |
| 512 | T | 87.4 | Confident | 86 | Confident | 129 Ų | 129 | 60.7 Ų | 60.7 | 79% | 0.791 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -115.5 | -27.5 | 179.7 | 55.8 | 0 | 0 | 0 | 0 | 113.9 | D510 | D510-T512 PolarHBondContact O-N 2.89Å; D510-T512 VanDerWaalsContact O-N 3.11Å; D510-T512 VanDerWaalsContact OD1-CA 3.32Å; D510-T512 WeakPolarHBondContact OD1-CA 3.35Å; D510-T512 WeakPolarHBondContact OD1-CB 3.42Å; D510-T512 PolarHBondContact OD1-N 3.37Å; D510-T512 PolarHBondContact OD1-OG1 3.02Å |
| 513 | E | 86.5 | Confident | 86.9 | Confident | 133 Ų | 133 | 55.8 Ų | 55.8 | 62% | 0.621 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -138.4 | 80.8 | 167.3 | -173.8 | 162.3 | -149.3 | 0 | 0 | 109.6 | D510 H515 | D510-E513 CarbonylContact O-C 3.55Å; D510-E513 PolarHBondContact OD1-N 2.85Å; E513-H515 PolarHBondContact O-N 3.34Å; E513-H515 PolarHBondContact O-ND1 2.83Å |
| 514 | P | 89.9 | Confident | 87.7 | Confident | 27 Ų | 27 | 57.8 Ų | 57.8 | 18% | 0.175 | 32% | 0.32 | C | S | . | . | trans | -59.9 | 119.8 | -169.8 | -28 | 37.6 | 0 | 0 | 0 | 113.9 | P483 V509 D510 | P483-P514 HydrophobicContact CG-CB 4.15Å; P483-P514 HydrophobicContact CG-CG 3.95Å; V509-P514 WeakPolarHBondContact O-CA 3.36Å; D510-P514 VanDerWaalsContact O-CA 3.32Å; D510-P514 WeakPolarHBondContact O-CA 3.5Å | ||
| 515 | H | 88.4 | Confident | 87.8 | Confident | 94 Ų | 94 | 56.8 Ų | 56.8 | 44% | 0.435 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 156.2 | 179.2 | 62.1 | -82.7 | 0 | 0 | 0 | 112.5 | C464 V509 E513 | C464-H515 PolarHBondContact SG-N 2.83Å; V509-H515 VanDerWaalsContact CG2-O 3.29Å; V509-H515 WeakPolarHBondContact CG2-O 3.44Å; V509-H515 PolarHBondContact N-O 2.89Å; V509-H515 PolarHBondContact O-N 3.5Å; V509-H515 VanDerWaalsContact O-N 3.07Å; E513-H515 PolarHBondContact O-N 3.34Å; E513-H515 PolarHBondContact O-ND1 2.83Å |
| 516 | W | 90.1 | Very high | 87.6 | Confident | 13 Ų | 13 | 57.7 Ų | 57.7 | 5% | 0.049 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 133.2 | 173.3 | -68.7 | 117.3 | 0 | 0 | 0 | 111.1 | C464 F465 P467 Y481 A487 I506 C508 D518 | C464-W516 HydrophobicContact CB-CD2 4.04Å; C464-W516 VanDerWaalsContact CB-CE2 3.46Å; C464-W516 HydrophobicContact CB-CG 4.43Å; C464-W516 HydrophobicContact CB-CH2 4.35Å; C464-W516 HydrophobicContact CB-CZ2 3.61Å; F465-W516 AromaticContact CE1-CD1 3.65Å; F465-W516 AromaticContact CE2-CD1 3.97Å; F465-W516 AromaticContact CZ-CD1 3.57Å; F465-W516 WeakPolarHBondContact O-CZ2 3.46Å; F465-W516 PolarHBondContact O-NE1 2.9Å; P467-W516 HydrophobicContact CG-CH2 4.33Å; P467-W516 HydrophobicContact CG-CZ2 3.79Å; Y481-W516 AromaticContact CD1-CH2 3.75Å; Y481-W516 HydrophobicContact CD1-CH2 3.75Å; Y481-W516 AromaticContact CD1-CZ2 3.73Å; Y481-W516 HydrophobicContact CD1-CZ2 3.73Å; Y481-W516 HydrophobicContact CE1-CH2 4.41Å; Y481-W516 HydrophobicContact CE1-CZ2 4.37Å; Y481-W516 HydrophobicContact CG-CZ2 4.2Å; A487-W516 HydrophobicContact CB-CH2 3.82Å; A487-W516 HydrophobicContact CB-CZ2 4.5Å; A487-W516 HydrophobicContact CB-CZ3 4.06Å; I506-W516 HydrophobicContact CB-CE3 4.01Å; I506-W516 HydrophobicContact CD1-CB 4.02Å; I506-W516 HydrophobicContact CD1-CD2 3.61Å; I506-W516 HydrophobicContact CD1-CE3 3.74Å; I506-W516 HydrophobicContact CD1-CG 3.72Å; I506-W516 HydrophobicContact CD1-CZ3 4.45Å; I506-W516 HydrophobicContact CG1-CD2 3.92Å; I506-W516 HydrophobicContact CG1-CE3 3.47Å; I506-W516 VanDerWaalsContact CG1-CE3 3.47Å; I506-W516 HydrophobicContact CG1-CG 4.44Å; I506-W516 HydrophobicContact CG1-CZ3 3.89Å; I506-W516 WeakPolarHBondContact O-CZ3 3.41Å; C508-W516 HydrophobicContact CB-CE3 4.06Å; C508-W516 HydrophobicContact CB-CH2 3.97Å; C508-W516 HydrophobicContact CB-CZ3 3.73Å; C508-W516 VanDerWaalsContact N-CE3 3.34Å; W516-D518 VanDerWaalsContact C-N 3.27Å; W516-D518 PolarHBondContact O-N 3Å |
| 517 | N | 90.9 | Very high | 87.4 | Confident | 82 Ų | 82 | 60.6 Ų | 60.6 | 44% | 0.439 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -68.2 | -22.7 | -178.6 | 67 | -12.2 | 0 | 0 | 0 | 114.4 | I506 E507 V509 | I506-N517 WeakPolarHBondContact CA-OD1 3.33Å; E507-N517 PolarHBondContact N-OD1 3.4Å; E507-N517 PolarHBondContact O-N 2.9Å; E507-N517 PolarHBondContact O-OD1 3.45Å; V509-N517 HydrophobicContact CG1-CB 3.92Å; V509-N517 HydrophobicContact CG2-CB 3.82Å |
| 518 | D | 86.8 | Confident | 87.2 | Confident | 59 Ų | 59 | 56.8 Ų | 56.8 | 32% | 0.316 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -149.5 | -178.8 | 176.9 | -149.7 | -11.5 | 0 | 0 | 0 | 110.7 | R428 P503 I506 W516 | R428-D518 IonicContact NH2-OD1 3.96Å; P503-D518 WeakPolarHBondContact CG-OD2 3.01Å; I506-D518 HydrophobicContact CG2-CB 3.92Å; W516-D518 VanDerWaalsContact C-N 3.27Å; W516-D518 PolarHBondContact O-N 3Å |
| 519 | T | 81 | Confident | 86.8 | Confident | 38 Ų | 38 | 60.8 Ų | 60.8 | 23% | 0.233 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -79.1 | 153.6 | 179.8 | 53.6 | 0 | 0 | 0 | 0 | 114.6 | R428 I506 | R428-T519 HydrophobicContact CG-CG2 3.76Å; R428-T519 VanDerWaalsContact CZ-CG2 3.4Å; R428-T519 VanDerWaalsContact NE-CG2 3.29Å; R428-T519 VanDerWaalsContact NH2-CG2 3.31Å; I506-T519 WeakPolarHBondContact CG2-O 3.35Å |
| 520 | E | 83.6 | Confident | 86.7 | Confident | 28 Ų | 28 | 63 Ų | 63 | 13% | 0.131 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 130.7 | 153.4 | -54.7 | 100.3 | 127.2 | 0 | 0 | 111 | P467 F468 F489 I506 | P467-E520 WeakPolarHBondContact CA-OE1 3.36Å; P467-E520 HydrophobicContact CB-CG 3.49Å; P467-E520 VanDerWaalsContact CB-CG 3.49Å; F468-E520 PolarHBondContact N-OE1 2.93Å; F489-E520 HydrophobicContact CE1-CB 4.11Å; F489-E520 HydrophobicContact CE1-CG 3.94Å; F489-E520 HydrophobicContact CZ-CB 4.04Å; F489-E520 HydrophobicContact CZ-CG 3.75Å; I506-E520 HydrophobicContact CD1-CG 4.21Å |
| 521 | P | 85.8 | Confident | 86.7 | Confident | 15 Ų | 15 | 60.6 Ų | 60.6 | 10% | 0.097 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -74.5 | 158.3 | 173.8 | 31.5 | -35.9 | 0 | 0 | 0 | 111.6 | L469 F489 L497 | L469-P521 HydrophobicContact CD1-CG 4.49Å; L469-P521 WeakPolarHBondContact CD1-O 3.43Å; F489-P521 HydrophobicContact CB-CG 3.83Å; F489-P521 HydrophobicContact CD1-CG 4.38Å; F489-P521 HydrophobicContact CD2-CG 3.78Å; F489-P521 HydrophobicContact CE2-CG 4.45Å; F489-P521 HydrophobicContact CG-CG 3.74Å; L497-P521 HydrophobicContact CD2-CB 4.02Å; L497-P521 HydrophobicContact CD2-CG 3.68Å |
| 522 | A | 84.1 | Confident | 86.7 | Confident | 56 Ų | 56 | 56.3 Ų | 56.3 | 46% | 0.463 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 136.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L497 E498 | L497-A522 CarbonylContact C-O 3.43Å; L497-A522 WeakPolarHBondContact CA-O 3.47Å; E498-A522 PolarHBondContact N-O 2.65Å; E498-A522 PolarHBondContact O-N 3.36Å |
| 523 | C | 85.4 | Confident | 86.8 | Confident | 16 Ų | 16 | 57.1 Ų | 57.1 | 11% | 0.108 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 108.1 | 166.9 | -74.1 | 0 | 0 | 0 | 0 | 110.8 | L469 A470 H471 C491 A496 | L469-C523 HydrophobicContact CD1-CB 4.41Å; L469-C523 VanDerWaalsContact CD1-SG 3.56Å; A470-C523 VanDerWaalsContact O-CB 3.29Å; A470-C523 WeakPolarHBondContact O-CB 3.25Å; H471-C523 HydrophobicContact CB-CB 4.36Å; C491-C523 WeakPolarHBondContact CA-SG 3.21Å; C491-C523 HydrophobicContact CB-CB 3.91Å; C491-C523 WeakPolarHBondContact CB-SG 3.43Å; C491-C523 VanDerWaalsContact SG-CA 3.56Å; C491-C523 WeakPolarHBondContact SG-CB 3.18Å; C491-C523 CovalentContact SG-SG 2.03Å; C491-C523 PolarHBondContact SG-SG 2.59Å; A496-C523 WeakPolarHBondContact O-CA 3.45Å |
| 524 | K | 82.7 | Confident | 87 | Confident | 110 Ų | 110 | 51.7 Ų | 51.7 | 48% | 0.478 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 139.9 | -179.1 | -164.8 | 159.7 | -179.5 | 175.1 | 0 | 110.8 | Y495 A496 E498 M526 | Y495-K524 CarbonylContact C-O 3.52Å; Y495-K524 VanDerWaalsContact CA-O 3.24Å; Y495-K524 WeakPolarHBondContact CA-O 3.47Å; A496-K524 PolarHBondContact N-O 2.83Å; A496-K524 PolarHBondContact O-N 2.86Å; E498-K524 VanDerWaalsContact CD-CD 3.49Å; E498-K524 WeakPolarHBondContact OE1-CD 3.31Å; E498-K524 IonicContact OE1-NZ 3.74Å; E498-K524 PolarHBondContact OE1-NZ 3.27Å; E498-K524 WeakPolarHBondContact OE2-CD 3.07Å; E498-K524 WeakPolarHBondContact OE2-CE 3.41Å; E498-K524 IonicContact OE2-NZ 2.75Å; E498-K524 PolarHBondContact OE2-NZ 3.17Å; K524-M526 PolarHBondContact O-N 2.83Å |
| 525 | V | 83.1 | Confident | 87.1 | Confident | 63 Ų | 63 | 54.2 Ų | 54.2 | 38% | 0.382 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 130.5 | 177.2 | 59.3 | 0 | 0 | 0 | 0 | 110.1 | Y495 T527 P547 | Y495-V525 HydrophobicContact CD1-CB 4.09Å; Y495-V525 HydrophobicContact CE1-CB 3.87Å; V525-T527 HydrophobicContact CG1-CG2 4.14Å; V525-T527 PolarHBondContact O-N 3.36Å; V525-P547 HydrophobicContact CG2-CB 3.88Å |
| 526 | M | 84.2 | Confident | 87.2 | Confident | 40 Ų | 40 | 53 Ų | 53 | 20% | 0.197 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 116.1 | 177.4 | -68.6 | -166.3 | -78.3 | 0 | 0 | 109.8 | G494 A496 K524 V548 P578 | G494-M526 WeakPolarHBondContact O-CB 3.04Å; G494-M526 PolarHBondContact O-N 2.04Å; A496-M526 HydrophobicContact CB-CG 3.74Å; A496-M526 HydrophobicContact CB-SD 4Å; K524-M526 PolarHBondContact O-N 2.83Å; M526-V548 HydrophobicContact CB-CG2 4.18Å; M526-V548 PolarHBondContact O-N 3.49Å; M526-P578 HydrophobicContact CB-CG 3.67Å |
| 527 | T | 87 | Confident | 87.2 | Confident | 63 Ų | 63 | 53.3 Ų | 53.3 | 39% | 0.387 | 32% | 0.323 | S | S | . | . | B | Isolated β-bridge | trans | -116.9 | 153.1 | -177.9 | 56.3 | 0 | 0 | 0 | 0 | 112.5 | V525 G545 F546 P578 | V525-T527 HydrophobicContact CG1-CG2 4.14Å; V525-T527 PolarHBondContact O-N 3.36Å; T527-G545 VanDerWaalsContact CB-O 3.24Å; T527-G545 WeakPolarHBondContact CB-O 3.41Å; T527-G545 WeakPolarHBondContact CG2-O 3.01Å; T527-F546 CarbonylContact C-O 3.59Å; T527-F546 WeakPolarHBondContact CA-O 3.39Å; T527-P578 WeakPolarHBondContact O-CG 3.42Å |
| 528 | C | 88.1 | Confident | 87.2 | Confident | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.02 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -82.8 | 143 | 164.6 | -74.6 | 0 | 0 | 0 | 0 | 110.2 | F546 C570 K579 W580 | C528-F546 HydrophobicContact CB-CB 4.38Å; C528-F546 PolarHBondContact N-O 2.63Å; C528-C570 HydrophobicContact CB-CB 3.89Å; C528-C570 WeakPolarHBondContact CB-SG 3.32Å; C528-C570 WeakPolarHBondContact SG-CA 3.31Å; C528-C570 WeakPolarHBondContact SG-CB 3.44Å; C528-C570 CovalentContact SG-SG 2.03Å; C528-C570 PolarHBondContact SG-SG 3.24Å; C528-K579 PolarHBondContact SG-N 2.68Å; C528-K579 VanDerWaalsContact SG-N 3.42Å; C528-W580 HydrophobicContact CB-CD2 4.18Å; C528-W580 HydrophobicContact CB-CH2 4.32Å; C528-W580 HydrophobicContact CB-CZ2 3.58Å |
| 529 | A | 87.6 | Confident | 87.5 | Confident | 85 Ų | 85 | 54 Ų | 54 | 70% | 0.702 | 32% | 0.319 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 146.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | P531 W580 | A529-P531 WeakPolarHBondContact O-CD 3.43Å; A529-W580 PolarHBondContact O-NE1 2.87Å |
| 530 | D | 90.4 | Very high | 88 | Confident | 87 Ų | 87 | 55 Ų | 55 | 47% | 0.465 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 120.1 | -179.3 | -173.5 | -9.8 | 0 | 0 | 0 | 110.8 | G532 R539 F546 | D530-G532 PolarHBondContact O-N 3.25Å; D530-G532 PolarHBondContact OD1-N 3.24Å; D530-R539 VanDerWaalsContact CG-NH1 3.34Å; D530-R539 IonicContact OD1-CZ 3.94Å; D530-R539 IonicContact OD1-NH1 2.9Å; D530-R539 PolarHBondContact OD1-NH1 3.05Å; D530-R539 IonicContact OD2-CZ 2.68Å; D530-R539 IonicContact OD2-NH1 3.43Å; D530-R539 PolarHBondContact OD2-NH1 2.89Å; D530-R539 IonicContact OD2-NH2 3.69Å; D530-F546 HydrophobicContact CB-CD2 4.38Å; D530-F546 HydrophobicContact CB-CE2 3.67Å; D530-F546 HydrophobicContact CB-CZ 4.38Å |
| 531 | P | 88.4 | Confident | 88.3 | Confident | 18 Ų | 18 | 56.1 Ų | 56.1 | 12% | 0.117 | 34% | 0.339 | C | S | . | . | trans | -72.2 | -8.6 | 177.5 | 30.4 | -34.5 | 0 | 0 | 0 | 113.3 | A529 V552 Y554 L568 W580 V584 | A529-P531 WeakPolarHBondContact O-CD 3.43Å; P531-V552 HydrophobicContact CG-CB 4.38Å; P531-V552 HydrophobicContact CG-CG1 4.29Å; P531-V552 HydrophobicContact CG-CG2 4.13Å; P531-Y554 WeakPolarHBondContact CB-OH 3.47Å; P531-Y554 WeakPolarHBondContact CG-OH 3.07Å; P531-L568 HydrophobicContact CB-CD1 4.11Å; P531-W580 HydrophobicContact CG-CD2 4.47Å; P531-W580 HydrophobicContact CG-CZ2 3.88Å; P531-V584 HydrophobicContact CB-CG2 4.18Å; P531-V584 WeakPolarHBondContact O-CG2 3.46Å | ||
| 532 | G | 89.4 | Confident | 88.4 | Confident | 23 Ų | 23 | 57.7 Ų | 57.7 | 24% | 0.237 | 35% | 0.35 | C | S | . | . | trans | 76.9 | -170 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | D530 R539 Y554 | D530-G532 PolarHBondContact O-N 3.25Å; D530-G532 PolarHBondContact OD1-N 3.24Å; G532-R539 WeakPolarHBondContact O-CD 3.41Å; G532-Y554 PolarHBondContact O-OH 2.86Å | ||
| 533 | E | 89.4 | Confident | 88.4 | Confident | 146 Ų | 146 | 58.8 Ų | 58.8 | 68% | 0.682 | 35% | 0.348 | S | S | * | . | trans | -108.4 | 157.2 | -176.2 | -71.6 | -179.9 | -168.7 | 0 | 0 | 112.3 | R539 | E533-R539 HydrophobicContact CG-CG 4.05Å; E533-R539 IonicContact OE1-CZ 2.78Å; E533-R539 VanDerWaalsContact OE1-CZ 3.29Å; E533-R539 IonicContact OE1-NE 2.65Å; E533-R539 PolarHBondContact OE1-NE 3.44Å; E533-R539 IonicContact OE1-NH2 3.03Å; E533-R539 PolarHBondContact OE1-NH2 2.79Å | ||
| 534 | I | 91.7 | Very high | 88 | Confident | 19 Ų | 19 | 62.8 Ų | 62.8 | 10% | 0.097 | 38% | 0.382 | C | S | . | . | trans | -114.7 | 136.8 | -177.3 | 65.6 | 175.3 | 0 | 0 | 0 | 110.9 | G537 Y554 V584 P585 C587 | I534-G537 PolarHBondContact O-N 3.07Å; I534-Y554 HydrophobicContact CB-CD1 4.48Å; I534-Y554 HydrophobicContact CD1-CD1 3.63Å; I534-Y554 HydrophobicContact CD1-CG 4.08Å; I534-Y554 HydrophobicContact CG1-CD1 3.84Å; I534-Y554 HydrophobicContact CG1-CE1 4.39Å; I534-Y554 HydrophobicContact CG2-CD1 3.86Å; I534-Y554 HydrophobicContact CG2-CE1 3.77Å; I534-V584 HydrophobicContact CG2-CG1 3.48Å; I534-V584 VanDerWaalsContact CG2-CG1 3.48Å; I534-P585 HydrophobicContact CD1-CG 4.5Å; I534-P585 WeakPolarHBondContact CG2-O 3.49Å; I534-C587 VanDerWaalsContact CD1-SG 3.6Å | ||
| 535 | A | 90.9 | Very high | 87.9 | Confident | 80 Ų | 80 | 59.8 Ų | 59.8 | 66% | 0.661 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | 140.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | G537 | A535-G537 VanDerWaalsContact C-N 3.25Å; A535-G537 PolarHBondContact O-N 2.81Å |
| 536 | N | 90 | Very high | 88.1 | Confident | 69 Ų | 69 | 58.1 Ų | 58.1 | 37% | 0.369 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 29.8 | -178.6 | -52.1 | -46.4 | 0 | 0 | 0 | 114.9 | L557 Y560 C587 | N536-L557 PolarHBondContact O-N 2.81Å; N536-Y560 HydrophobicContact CB-CD1 3.76Å; N536-Y560 HydrophobicContact CB-CD2 4.06Å; N536-Y560 HydrophobicContact CB-CE1 3.65Å; N536-Y560 HydrophobicContact CB-CE2 3.96Å; N536-Y560 HydrophobicContact CB-CG 3.98Å; N536-Y560 VanDerWaalsContact CG-CZ 3.47Å; N536-Y560 VanDerWaalsContact ND2-CE1 3.29Å; N536-Y560 WeakPolarHBondContact ND2-CE1 3.35Å; N536-C587 HydrophobicContact CB-CB 4.1Å; N536-C587 PolarHBondContact O-SG 2.62Å |
| 537 | G | 90.4 | Very high | 88.2 | Confident | 20 Ų | 20 | 58 Ų | 58 | 21% | 0.206 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | -176.1 | 172 | 0 | 0 | 0 | 0 | 0 | 112.9 | I534 A535 R555 | I534-G537 PolarHBondContact O-N 3.07Å; A535-G537 VanDerWaalsContact C-N 3.25Å; A535-G537 PolarHBondContact O-N 2.81Å; G537-R555 CarbonylContact C-O 3.57Å; G537-R555 WeakPolarHBondContact CA-O 3.31Å |
| 538 | H | 91.4 | Very high | 88.2 | Confident | 82 Ų | 82 | 57.4 Ų | 57.4 | 38% | 0.38 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 157.9 | 170.6 | 63 | -86.5 | 0 | 0 | 0 | 110.7 | Y554 R555 | H538-Y554 WeakPolarHBondContact O-CA 3.2Å; H538-R555 PolarHBondContact N-O 2.83Å; H538-R555 PolarHBondContact ND1-O 3.28Å; H538-R555 PolarHBondContact O-N 2.71Å |
| 539 | R | 92.1 | Very high | 88 | Confident | 73 Ų | 73 | 59.5 Ų | 59.5 | 28% | 0.275 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 149.3 | 173.4 | 66 | 176.1 | 174.1 | 170.3 | -5.4 | 111.1 | D530 G532 E533 V552 Q553 Y554 | D530-R539 VanDerWaalsContact CG-NH1 3.34Å; D530-R539 IonicContact OD1-CZ 3.94Å; D530-R539 IonicContact OD1-NH1 2.9Å; D530-R539 PolarHBondContact OD1-NH1 3.05Å; D530-R539 IonicContact OD2-CZ 2.68Å; D530-R539 IonicContact OD2-NH1 3.43Å; D530-R539 PolarHBondContact OD2-NH1 2.89Å; D530-R539 IonicContact OD2-NH2 3.69Å; G532-R539 WeakPolarHBondContact O-CD 3.41Å; E533-R539 HydrophobicContact CG-CG 4.05Å; E533-R539 IonicContact OE1-CZ 2.78Å; E533-R539 VanDerWaalsContact OE1-CZ 3.29Å; E533-R539 IonicContact OE1-NE 2.65Å; E533-R539 PolarHBondContact OE1-NE 3.44Å; E533-R539 IonicContact OE1-NH2 3.03Å; E533-R539 PolarHBondContact OE1-NH2 2.79Å; R539-V552 HydrophobicContact CB-CG1 4.3Å; R539-Q553 CarbonylContact C-O 3.59Å; R539-Q553 WeakPolarHBondContact CA-O 3.46Å; R539-Y554 HydrophobicContact CB-CD1 3.85Å; R539-Y554 HydrophobicContact CB-CE1 3.66Å |
| 540 | T | 92.4 | Very high | 88 | Confident | 59 Ų | 59 | 55.6 Ų | 55.6 | 36% | 0.362 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 117.4 | 167.5 | 53.8 | 0 | 0 | 0 | 0 | 108.4 | Q553 | T540-Q553 PolarHBondContact N-O 2.9Å; T540-Q553 PolarHBondContact O-N 2.84Å |
| 541 | A | 90.4 | Very high | 88.1 | Confident | 52 Ų | 52 | 55.6 Ų | 55.6 | 43% | 0.43 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 151.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | F546 V552 | A541-F546 HydrophobicContact CB-CE1 3.91Å; A541-V552 HydrophobicContact CB-CG2 4.03Å |
| 542 | S | 87.5 | Confident | 88.3 | Confident | 48 Ų | 48 | 54.8 Ų | 54.8 | 34% | 0.336 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -72.3 | -41.9 | 171.8 | 54.1 | 0 | 0 | 0 | 0 | 112.8 | S550 H551 | S542-S550 WeakPolarHBondContact OG-CA 3.32Å; S542-H551 VanDerWaalsContact CB-CE1 3.44Å; S542-H551 WeakPolarHBondContact CB-CE1 3.29Å; S542-H551 PolarHBondContact N-O 3.45Å; S542-H551 PolarHBondContact OG-N 2.9Å; S542-H551 PolarHBondContact OG-ND1 2.89Å; S542-H551 PolarHBondContact OG-O 3.4Å |
| 543 | D | 84.9 | Confident | 88.5 | Confident | 78 Ų | 78 | 56.9 Ų | 56.9 | 42% | 0.417 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -136.9 | 149.8 | -170.5 | -39.7 | -87.2 | 0 | 0 | 0 | 111.1 | P547 S550 | D543-P547 HydrophobicContact CB-CG 4.44Å; D543-S550 WeakPolarHBondContact CB-OG 3.17Å; D543-S550 VanDerWaalsContact CG-OG 3.3Å; D543-S550 WeakPolarHBondContact OD2-CA 3.46Å; D543-S550 VanDerWaalsContact OD2-CB 3.23Å; D543-S550 WeakPolarHBondContact OD2-CB 3.21Å; D543-S550 PolarHBondContact OD2-OG 3.19Å |
| 544 | A | 76.3 | Confident | 88.8 | Confident | 100 Ų | 100 | 50 Ų | 50 | 83% | 0.826 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | 144.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | F546 | A544-F546 PolarHBondContact O-N 2.95Š|
| 545 | G | 79.4 | Confident | 88.8 | Confident | 48 Ų | 48 | 54.7 Ų | 54.7 | 50% | 0.495 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | -4.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | T527 | T527-G545 VanDerWaalsContact CB-O 3.24Å; T527-G545 WeakPolarHBondContact CB-O 3.41Å; T527-G545 WeakPolarHBondContact CG2-O 3.01Å |
| 546 | F | 88.6 | Confident | 88.8 | Confident | 28 Ų | 28 | 52.1 Ų | 52.1 | 12% | 0.123 | 32% | 0.315 | C | S | . | . | trans | 54.4 | 52.6 | 173.5 | -42.9 | -72.1 | 0 | 0 | 0 | 116.4 | T527 C528 D530 A541 A544 V552 W580 | T527-F546 CarbonylContact C-O 3.59Å; T527-F546 WeakPolarHBondContact CA-O 3.39Å; C528-F546 HydrophobicContact CB-CB 4.38Å; C528-F546 PolarHBondContact N-O 2.63Å; D530-F546 HydrophobicContact CB-CD2 4.38Å; D530-F546 HydrophobicContact CB-CE2 3.67Å; D530-F546 HydrophobicContact CB-CZ 4.38Å; A541-F546 HydrophobicContact CB-CE1 3.91Å; A544-F546 PolarHBondContact O-N 2.95Å; F546-V552 HydrophobicContact CD1-CG2 3.82Å; F546-V552 HydrophobicContact CE1-CG2 3.69Å; F546-W580 HydrophobicContact CB-CH2 3.9Å; F546-W580 HydrophobicContact CB-CZ2 3.72Å; F546-W580 AromaticContact CD1-CH2 3.79Å; F546-W580 HydrophobicContact CD1-CH2 3.79Å; F546-W580 AromaticContact CD1-CZ2 3.82Å; F546-W580 HydrophobicContact CD1-CZ2 3.82Å; F546-W580 HydrophobicContact CG-CH2 4.11Å; F546-W580 AromaticContact CG-CZ2 3.81Å; F546-W580 HydrophobicContact CG-CZ2 3.81Å | ||
| 547 | P | 86.7 | Confident | 88.8 | Confident | 36 Ų | 36 | 52.7 Ų | 52.7 | 23% | 0.234 | 32% | 0.318 | C | S | . | . | B | Isolated β-bridge | trans | -59.5 | 164.8 | 171 | 26.4 | -34.4 | 0 | 0 | 0 | 113.4 | V525 D543 G549 S550 | V525-P547 HydrophobicContact CG2-CB 3.88Å; D543-P547 HydrophobicContact CB-CG 4.44Å; P547-G549 PolarHBondContact O-N 2.81Å; P547-S550 WeakPolarHBondContact CD-OG 3.39Å; P547-S550 WeakPolarHBondContact CG-OG 3.38Å; P547-S550 VanDerWaalsContact O-CB 3.22Å; P547-S550 WeakPolarHBondContact O-CB 3.44Å; P547-S550 PolarHBondContact O-N 2.76Å; P547-S550 PolarHBondContact O-OG 3.11Å |
| 548 | V | 85.7 | Confident | 88.6 | Confident | 52 Ų | 52 | 57.7 Ų | 57.7 | 32% | 0.315 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 128.1 | 172.3 | 172.1 | 0 | 0 | 0 | 0 | 110.5 | M526 P578 | M526-V548 HydrophobicContact CB-CG2 4.18Å; M526-V548 PolarHBondContact O-N 3.49Å; V548-P578 HydrophobicContact CG2-CB 3.92Å; V548-P578 HydrophobicContact CG2-CG 3.72Å |
| 549 | G | 84.8 | Confident | 87.8 | Confident | 47 Ų | 47 | 55.7 Ų | 55.7 | 49% | 0.485 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 100.9 | -23.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | P547 C570 | P547-G549 PolarHBondContact O-N 2.81Å; G549-C570 PolarHBondContact N-O 2.91Å |
| 550 | S | 87.1 | Confident | 87.4 | Confident | 3 Ų | 3 | 55.6 Ų | 55.6 | 2% | 0.021 | 35% | 0.349 | C | S | . | . | trans | -62.5 | 151.9 | 176.8 | -64.8 | 0 | 0 | 0 | 0 | 112.7 | S542 D543 P547 T569 C570 | S542-S550 WeakPolarHBondContact OG-CA 3.32Å; D543-S550 WeakPolarHBondContact CB-OG 3.17Å; D543-S550 VanDerWaalsContact CG-OG 3.3Å; D543-S550 WeakPolarHBondContact OD2-CA 3.46Å; D543-S550 VanDerWaalsContact OD2-CB 3.23Å; D543-S550 WeakPolarHBondContact OD2-CB 3.21Å; D543-S550 PolarHBondContact OD2-OG 3.19Å; P547-S550 WeakPolarHBondContact CD-OG 3.39Å; P547-S550 WeakPolarHBondContact CG-OG 3.38Å; P547-S550 VanDerWaalsContact O-CB 3.22Å; P547-S550 WeakPolarHBondContact O-CB 3.44Å; P547-S550 PolarHBondContact O-N 2.76Å; P547-S550 PolarHBondContact O-OG 3.11Å; S550-T569 WeakPolarHBondContact O-CA 3.41Å; S550-C570 PolarHBondContact O-N 3.01Å | ||
| 551 | H | 92.4 | Very high | 87 | Confident | 87 Ų | 87 | 55.1 Ų | 55.1 | 40% | 0.403 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 136.7 | -176.7 | 58.2 | -86 | 0 | 0 | 0 | 112.4 | S542 M567 L568 | S542-H551 VanDerWaalsContact CB-CE1 3.44Å; S542-H551 WeakPolarHBondContact CB-CE1 3.29Å; S542-H551 PolarHBondContact N-O 3.45Å; S542-H551 PolarHBondContact OG-N 2.9Å; S542-H551 PolarHBondContact OG-ND1 2.89Å; S542-H551 PolarHBondContact OG-O 3.4Å; H551-M567 HydrophobicContact CB-CE 3.59Å; H551-M567 HydrophobicContact CB-SD 4.03Å; H551-L568 CarbonylContact C-O 3.58Å; H551-L568 WeakPolarHBondContact CA-O 3.47Å |
| 552 | V | 93.3 | Very high | 86.9 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.006 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 112.7 | -178 | -178 | 0 | 0 | 0 | 0 | 109.2 | P531 R539 A541 F546 Y554 M567 L568 W580 | P531-V552 HydrophobicContact CG-CB 4.38Å; P531-V552 HydrophobicContact CG-CG1 4.29Å; P531-V552 HydrophobicContact CG-CG2 4.13Å; R539-V552 HydrophobicContact CB-CG1 4.3Å; A541-V552 HydrophobicContact CB-CG2 4.03Å; F546-V552 HydrophobicContact CD1-CG2 3.82Å; F546-V552 HydrophobicContact CE1-CG2 3.69Å; V552-Y554 HydrophobicContact CB-CE2 4.4Å; V552-Y554 HydrophobicContact CG1-CD2 4.38Å; V552-Y554 HydrophobicContact CG1-CE1 4.49Å; V552-Y554 HydrophobicContact CG1-CE2 3.72Å; V552-M567 WeakPolarHBondContact O-CE 3.15Å; V552-L568 PolarHBondContact N-O 3.33Å; V552-L568 PolarHBondContact O-N 2.86Å; V552-W580 HydrophobicContact CG2-CH2 3.54Å; V552-W580 HydrophobicContact CG2-CZ2 4.16Å; V552-W580 HydrophobicContact CG2-CZ3 3.92Å |
| 553 | Q | 94.1 | Very high | 87.1 | Confident | 66 Ų | 66 | 58.5 Ų | 58.5 | 31% | 0.308 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 134.8 | -179.7 | -172.8 | 173.2 | 100.6 | 0 | 0 | 110.3 | R539 T540 R555 A566 M567 | R539-Q553 CarbonylContact C-O 3.59Å; R539-Q553 WeakPolarHBondContact CA-O 3.46Å; T540-Q553 PolarHBondContact N-O 2.9Å; T540-Q553 PolarHBondContact O-N 2.84Å; Q553-R555 VanDerWaalsContact OE1-CZ 3.25Å; Q553-A566 WeakPolarHBondContact CA-O 3.39Å; Q553-A566 WeakPolarHBondContact CG-O 3.31Å; Q553-M567 HydrophobicContact CB-CE 3.63Å; Q553-M567 HydrophobicContact CB-SD 4.48Å; Q553-M567 HydrophobicContact CG-CE 4.5Å; Q553-M567 VanDerWaalsContact N-CE 3.26Å |
| 554 | Y | 94.5 | Very high | 87.3 | Confident | 3 Ų | 3 | 57.9 Ų | 57.9 | 1% | 0.012 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 139.4 | 178.6 | -70.6 | -80.8 | 0 | 0 | 0 | 110.4 | P531 G532 I534 H538 R539 V552 L562 A566 L568 V584 P585 | P531-Y554 WeakPolarHBondContact CB-OH 3.47Å; P531-Y554 WeakPolarHBondContact CG-OH 3.07Å; G532-Y554 PolarHBondContact O-OH 2.86Å; I534-Y554 HydrophobicContact CB-CD1 4.48Å; I534-Y554 HydrophobicContact CD1-CD1 3.63Å; I534-Y554 HydrophobicContact CD1-CG 4.08Å; I534-Y554 HydrophobicContact CG1-CD1 3.84Å; I534-Y554 HydrophobicContact CG1-CE1 4.39Å; I534-Y554 HydrophobicContact CG2-CD1 3.86Å; I534-Y554 HydrophobicContact CG2-CE1 3.77Å; H538-Y554 WeakPolarHBondContact O-CA 3.2Å; R539-Y554 HydrophobicContact CB-CD1 3.85Å; R539-Y554 HydrophobicContact CB-CE1 3.66Å; V552-Y554 HydrophobicContact CB-CE2 4.4Å; V552-Y554 HydrophobicContact CG1-CD2 4.38Å; V552-Y554 HydrophobicContact CG1-CE1 4.49Å; V552-Y554 HydrophobicContact CG1-CE2 3.72Å; Y554-L562 VanDerWaalsContact O-CD1 3.32Å; Y554-L562 WeakPolarHBondContact O-CD1 3.39Å; Y554-A566 PolarHBondContact N-O 3.49Å; Y554-L568 HydrophobicContact CD2-CG 4.5Å; Y554-L568 HydrophobicContact CE2-CD1 3.86Å; Y554-L568 HydrophobicContact CE2-CG 4.09Å; Y554-V584 HydrophobicContact CE1-CG1 4.49Å; Y554-P585 HydrophobicContact CD1-CG 4.47Å; Y554-P585 HydrophobicContact CD2-CG 3.66Å; Y554-P585 HydrophobicContact CE2-CG 4.4Å; Y554-P585 HydrophobicContact CG-CG 3.69Å |
| 555 | R | 92.3 | Very high | 88 | Confident | 116 Ų | 116 | 54.2 Ų | 54.2 | 44% | 0.438 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 131.8 | 177.4 | -54.5 | -175.9 | -162.3 | 136.4 | -2.3 | 110 | G537 H538 Q553 | G537-R555 CarbonylContact C-O 3.57Å; G537-R555 WeakPolarHBondContact CA-O 3.31Å; H538-R555 PolarHBondContact N-O 2.83Å; H538-R555 PolarHBondContact ND1-O 3.28Å; H538-R555 PolarHBondContact O-N 2.71Å; Q553-R555 VanDerWaalsContact OE1-CZ 3.25Å |
| 556 | C | 91.6 | Very high | 88.4 | Confident | 26 Ų | 26 | 54.3 Ų | 54.3 | 18% | 0.176 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 157.9 | 179.2 | -60.1 | 0 | 0 | 0 | 0 | 112.6 | L562 C587 | C556-L562 VanDerWaalsContact SG-CA 3.54Å; C556-L562 VanDerWaalsContact SG-CB 3.6Å; C556-C587 WeakPolarHBondContact CA-SG 3.21Å; C556-C587 HydrophobicContact CB-CB 3.8Å; C556-C587 WeakPolarHBondContact CB-SG 3.41Å; C556-C587 WeakPolarHBondContact SG-CA 3.37Å; C556-C587 WeakPolarHBondContact SG-CB 3.49Å; C556-C587 CovalentContact SG-SG 2.04Å; C556-C587 PolarHBondContact SG-SG 2.94Å |
| 557 | L | 89.2 | Confident | 88.7 | Confident | 81 Ų | 81 | 56 Ų | 56 | 42% | 0.424 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 158.7 | 171.3 | -65.8 | 178.5 | 0 | 0 | 0 | 111.2 | N536 G559 Y560 | N536-L557 PolarHBondContact O-N 2.81Å; L557-G559 PolarHBondContact O-N 2.89Å; L557-Y560 HydrophobicContact CB-CD2 4.32Å; L557-Y560 WeakPolarHBondContact O-CB 3.29Å; L557-Y560 PolarHBondContact O-N 3.18Å |
| 558 | P | 85.1 | Confident | 89 | Confident | 126 Ų | 126 | 54.3 Ų | 54.3 | 82% | 0.818 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | 137.5 | 174.3 | -27.1 | 35.8 | 0 | 0 | 0 | 112.5 | Y560 | P558-Y560 VanDerWaalsContact C-N 3.33Š|
| 559 | G | 74.6 | Confident | 89.3 | Confident | 40 Ų | 40 | 54.6 Ų | 54.6 | 41% | 0.412 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | -9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115 | L557 K590 | L557-G559 PolarHBondContact O-N 2.89Å; G559-K590 PolarHBondContact O-N 3.4Å |
| 560 | Y | 84.6 | Confident | 89.6 | Confident | 71 Ų | 71 | 52.5 Ų | 52.5 | 28% | 0.278 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 149.1 | 177.4 | -64.2 | -99.9 | 0 | 0 | 0 | 112.3 | N536 L557 P558 C587 A588 L589 | N536-Y560 HydrophobicContact CB-CD1 3.76Å; N536-Y560 HydrophobicContact CB-CD2 4.06Å; N536-Y560 HydrophobicContact CB-CE1 3.65Å; N536-Y560 HydrophobicContact CB-CE2 3.96Å; N536-Y560 HydrophobicContact CB-CG 3.98Å; N536-Y560 VanDerWaalsContact CG-CZ 3.47Å; N536-Y560 VanDerWaalsContact ND2-CE1 3.29Å; N536-Y560 WeakPolarHBondContact ND2-CE1 3.35Å; L557-Y560 HydrophobicContact CB-CD2 4.32Å; L557-Y560 WeakPolarHBondContact O-CB 3.29Å; L557-Y560 PolarHBondContact O-N 3.18Å; P558-Y560 VanDerWaalsContact C-N 3.33Å; Y560-C587 HydrophobicContact CD1-CB 4.33Å; Y560-A588 CarbonylContact C-O 3.59Å; Y560-A588 WeakPolarHBondContact CA-O 3.5Å; Y560-A588 WeakPolarHBondContact CB-O 3.34Å; Y560-L589 HydrophobicContact CD1-CD2 3.97Å; Y560-L589 HydrophobicContact CD1-CG 4.08Å; Y560-L589 HydrophobicContact CD2-CD2 4.34Å; Y560-L589 HydrophobicContact CE1-CD2 3.51Å; Y560-L589 HydrophobicContact CE1-CG 3.61Å; Y560-L589 HydrophobicContact CE2-CD2 3.93Å; Y560-L589 HydrophobicContact CG-CD2 4.36Å; Y560-L589 VanDerWaalsContact CZ-CD2 3.48Å |
| 561 | S | 83.3 | Confident | 89.6 | Confident | 49 Ų | 49 | 56.5 Ų | 56.5 | 34% | 0.343 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 146.3 | 173.2 | 45.4 | 0 | 0 | 0 | 0 | 111.1 | C587 A588 | S561-C587 WeakPolarHBondContact O-CA 3.41Å; S561-A588 PolarHBondContact N-O 2.85Å; S561-A588 PolarHBondContact O-N 2.9Å |
| 562 | L | 89.3 | Confident | 89.1 | Confident | 53 Ų | 53 | 54.8 Ų | 54.8 | 28% | 0.277 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 126.9 | -175.2 | -167.7 | 147.3 | 0 | 0 | 0 | 111.6 | Y554 C556 G564 A566 P585 K586 | Y554-L562 VanDerWaalsContact O-CD1 3.32Å; Y554-L562 WeakPolarHBondContact O-CD1 3.39Å; C556-L562 VanDerWaalsContact SG-CA 3.54Å; C556-L562 VanDerWaalsContact SG-CB 3.6Å; L562-G564 VanDerWaalsContact CD2-O 3.28Å; L562-G564 WeakPolarHBondContact CD2-O 3.42Å; L562-A566 HydrophobicContact CD1-CB 4.13Å; L562-A566 HydrophobicContact CD2-CB 4.02Å; L562-P585 HydrophobicContact CD1-CB 4.31Å; L562-P585 HydrophobicContact CD1-CG 4.23Å; L562-P585 HydrophobicContact CD2-CB 3.66Å; L562-P585 HydrophobicContact CD2-CG 4.33Å; L562-P585 HydrophobicContact CG-CB 3.98Å; L562-P585 HydrophobicContact CG-CG 4.44Å; L562-K586 CarbonylContact C-O 3.56Å; L562-K586 WeakPolarHBondContact CA-O 3.48Å |
| 563 | E | 91.1 | Very high | 88.2 | Confident | 117 Ų | 117 | 60.8 Ų | 60.8 | 55% | 0.547 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 116.3 | 173.5 | -63.6 | -176.2 | 159.7 | 0 | 0 | 109.7 | P585 K586 A588 | E563-P585 CarbonylContact O-C 3.37Å; E563-P585 VanDerWaalsContact O-CA 3.32Å; E563-P585 WeakPolarHBondContact O-CA 3.27Å; E563-P585 VanDerWaalsContact O-CB 3.29Å; E563-P585 WeakPolarHBondContact O-CB 3.43Å; E563-K586 PolarHBondContact N-O 3.32Å; E563-K586 PolarHBondContact O-N 2.97Å; E563-A588 HydrophobicContact CG-CB 4.07Å; E563-A588 WeakPolarHBondContact OE1-CB 3.4Å |
| 564 | G | 89.1 | Confident | 86.7 | Confident | 65 Ų | 65 | 65.6 Ų | 65.6 | 67% | 0.67 | 37% | 0.37 | S | S | * | . | S | Bend | trans | 111.6 | -163.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L562 A566 | L562-G564 VanDerWaalsContact CD2-O 3.28Å; L562-G564 WeakPolarHBondContact CD2-O 3.42Å; G564-A566 PolarHBondContact O-N 3.12Å |
| 565 | A | 90.4 | Very high | 84.9 | Confident | 24 Ų | 24 | 72 Ų | 72 | 20% | 0.198 | 41% | 0.409 | C | S | . | . | trans | -75 | 118.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | M567 L568 D582 P585 | A565-M567 PolarHBondContact O-N 2.95Å; A565-L568 HydrophobicContact CB-CD2 4.04Å; A565-D582 HydrophobicContact CB-CB 3.78Å; A565-P585 WeakPolarHBondContact O-CG 3.21Å | ||
| 566 | A | 89.4 | Confident | 83.6 | Confident | 50 Ų | 50 | 68.3 Ų | 68.3 | 41% | 0.413 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -68.8 | -10.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q553 Y554 L562 G564 | Q553-A566 WeakPolarHBondContact CA-O 3.39Å; Q553-A566 WeakPolarHBondContact CG-O 3.31Å; Y554-A566 PolarHBondContact N-O 3.49Å; L562-A566 HydrophobicContact CD1-CB 4.13Å; L562-A566 HydrophobicContact CD2-CB 4.02Å; G564-A566 PolarHBondContact O-N 3.12Å |
| 567 | M | 93.9 | Very high | 82.7 | Confident | 63 Ų | 63 | 73.1 Ų | 73.1 | 31% | 0.31 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 117.1 | -175.5 | 177.6 | 87.4 | -74.4 | 0 | 0 | 108.8 | H551 V552 Q553 A565 | H551-M567 HydrophobicContact CB-CE 3.59Å; H551-M567 HydrophobicContact CB-SD 4.03Å; V552-M567 WeakPolarHBondContact O-CE 3.15Å; Q553-M567 HydrophobicContact CB-CE 3.63Å; Q553-M567 HydrophobicContact CB-SD 4.48Å; Q553-M567 HydrophobicContact CG-CE 4.5Å; Q553-M567 VanDerWaalsContact N-CE 3.26Å; A565-M567 PolarHBondContact O-N 2.95Å |
| 568 | L | 93.1 | Very high | 82.4 | Confident | 1 Ų | 1 | 70.1 Ų | 70.1 | 1% | 0.005 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 138.1 | 169.3 | -56 | -173.5 | 0 | 0 | 0 | 109.5 | P531 H551 V552 Y554 A565 W580 D582 | P531-L568 HydrophobicContact CB-CD1 4.11Å; H551-L568 CarbonylContact C-O 3.58Å; H551-L568 WeakPolarHBondContact CA-O 3.47Å; V552-L568 PolarHBondContact N-O 3.33Å; V552-L568 PolarHBondContact O-N 2.86Å; Y554-L568 HydrophobicContact CD2-CG 4.5Å; Y554-L568 HydrophobicContact CE2-CD1 3.86Å; Y554-L568 HydrophobicContact CE2-CG 4.09Å; A565-L568 HydrophobicContact CB-CD2 4.04Å; L568-W580 HydrophobicContact CB-CB 4.47Å; L568-W580 HydrophobicContact CB-CD2 4.28Å; L568-W580 HydrophobicContact CB-CE3 3.71Å; L568-W580 HydrophobicContact CB-CZ3 4.4Å; L568-W580 HydrophobicContact CD1-CB 4.42Å; L568-W580 HydrophobicContact CD1-CG 4.44Å; L568-D582 HydrophobicContact CD2-CB 3.51Å |
| 569 | T | 92.3 | Very high | 82.6 | Confident | 58 Ų | 58 | 70.3 Ų | 70.3 | 36% | 0.356 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 133.5 | 175.7 | -53 | 0 | 0 | 0 | 0 | 110.1 | S550 W580 S581 | S550-T569 WeakPolarHBondContact O-CA 3.41Å; T569-W580 VanDerWaalsContact C-CE3 3.46Å; T569-W580 CarbonylContact O-C 3.59Å; T569-W580 WeakPolarHBondContact O-CA 3.4Å; T569-S581 PolarHBondContact N-OG 2.9Å; T569-S581 PolarHBondContact O-N 2.79Å |
| 570 | C | 90.6 | Very high | 83.4 | Confident | 2 Ų | 2 | 69.7 Ų | 69.7 | 1% | 0.014 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 123.1 | 176.1 | -176.3 | 0 | 0 | 0 | 0 | 109.8 | C528 G549 S550 W580 | C528-C570 HydrophobicContact CB-CB 3.89Å; C528-C570 WeakPolarHBondContact CB-SG 3.32Å; C528-C570 WeakPolarHBondContact SG-CA 3.31Å; C528-C570 WeakPolarHBondContact SG-CB 3.44Å; C528-C570 CovalentContact SG-SG 2.03Å; C528-C570 PolarHBondContact SG-SG 3.24Å; G549-C570 PolarHBondContact N-O 2.91Å; S550-C570 PolarHBondContact O-N 3.01Å; C570-W580 HydrophobicContact CB-CE3 4.05Å; C570-W580 HydrophobicContact CB-CH2 3.95Å; C570-W580 HydrophobicContact CB-CZ3 3.71Å; C570-W580 VanDerWaalsContact N-CZ3 3.35Å |
| 571 | Y | 87.4 | Confident | 83.7 | Confident | 87 Ų | 87 | 68.9 Ų | 68.9 | 34% | 0.341 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 143.9 | 176.2 | 70.7 | -83.3 | 0 | 0 | 0 | 111.6 | R573 P578 K579 W580 | Y571-R573 PolarHBondContact OH-NH2 2.94Å; Y571-P578 WeakPolarHBondContact O-CA 3.41Å; Y571-K579 WeakPolarHBondContact CD1-O 3.44Å; Y571-K579 HydrophobicContact CE1-CB 4.35Å; Y571-K579 VanDerWaalsContact CE1-O 3.3Å; Y571-K579 WeakPolarHBondContact CE1-O 3.26Å; Y571-K579 PolarHBondContact N-O 3.03Å; Y571-K579 PolarHBondContact O-N 3.32Å; Y571-W580 WeakPolarHBondContact CE1-O 3.44Å |
| 572 | S | 81.3 | Confident | 84 | Confident | 51 Ų | 51 | 71.3 Ų | 71.3 | 36% | 0.357 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 157.4 | 170.5 | -170.6 | 0 | 0 | 0 | 0 | 110.7 | ||
| 573 | R | 74.8 | Confident | 84.1 | Confident | 128 Ų | 128 | 79.4 Ų | 79.4 | 48% | 0.483 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 138.9 | 174 | -177.1 | -179.9 | -64.2 | -144.9 | -5.8 | 108.4 | Y571 T575 G576 | Y571-R573 PolarHBondContact OH-NH2 2.94Å; R573-T575 PolarHBondContact O-N 3.21Å; R573-G576 PolarHBondContact O-N 3Å |
| 574 | D | 62.8 | Low | 84.2 | Confident | 167 Ų | 167 | 76.7 Ų | 76.7 | 89% | 0.893 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -16.2 | -165.5 | -42.1 | -82.6 | 0 | 0 | 0 | 115.1 | ||
| 575 | T | 57.1 | Low | 84.4 | Confident | 137 Ų | 137 | 73.9 Ų | 73.9 | 84% | 0.84 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.1 | 30.2 | -177.9 | 72.9 | 0 | 0 | 0 | 0 | 113.5 | R573 | R573-T575 PolarHBondContact O-N 3.21Š|
| 576 | G | 64.3 | Low | 84.5 | Confident | 39 Ų | 39 | 79.7 Ų | 79.7 | 40% | 0.402 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -174.1 | 174.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | R573 | R573-G576 PolarHBondContact O-N 3Å |
| 577 | T | 72.9 | Confident | 84.6 | Confident | 127 Ų | 127 | 78.1 Ų | 78.1 | 78% | 0.779 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.4 | 141 | -179.8 | 51.7 | 0 | 0 | 0 | 0 | 112.3 | ||
| 578 | P | 83.7 | Confident | 84.1 | Confident | 18 Ų | 18 | 76.3 Ų | 76.3 | 12% | 0.117 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55 | 152.3 | 176.3 | -26 | 34.8 | 0 | 0 | 0 | 113.3 | M526 T527 V548 Y571 | M526-P578 HydrophobicContact CB-CG 3.67Å; T527-P578 WeakPolarHBondContact O-CG 3.42Å; V548-P578 HydrophobicContact CG2-CB 3.92Å; V548-P578 HydrophobicContact CG2-CG 3.72Å; Y571-P578 WeakPolarHBondContact O-CA 3.41Å |
| 579 | K | 88.3 | Confident | 83.4 | Confident | 130 Ų | 130 | 79.8 Ų | 79.8 | 57% | 0.565 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 150.1 | -179.3 | -163 | 172.1 | 179 | 173.4 | 0 | 112 | C528 Y571 | C528-K579 PolarHBondContact SG-N 2.68Å; C528-K579 VanDerWaalsContact SG-N 3.42Å; Y571-K579 WeakPolarHBondContact CD1-O 3.44Å; Y571-K579 HydrophobicContact CE1-CB 4.35Å; Y571-K579 VanDerWaalsContact CE1-O 3.3Å; Y571-K579 WeakPolarHBondContact CE1-O 3.26Å; Y571-K579 PolarHBondContact N-O 3.03Å; Y571-K579 PolarHBondContact O-N 3.32Å |
| 580 | W | 91.4 | Very high | 82.3 | Confident | 26 Ų | 26 | 83.6 Ų | 83.6 | 10% | 0.098 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 142.9 | 168 | -62.7 | 108.5 | 0 | 0 | 0 | 111.6 | C528 A529 P531 F546 V552 L568 T569 C570 Y571 D582 | C528-W580 HydrophobicContact CB-CD2 4.18Å; C528-W580 HydrophobicContact CB-CH2 4.32Å; C528-W580 HydrophobicContact CB-CZ2 3.58Å; A529-W580 PolarHBondContact O-NE1 2.87Å; P531-W580 HydrophobicContact CG-CD2 4.47Å; P531-W580 HydrophobicContact CG-CZ2 3.88Å; F546-W580 HydrophobicContact CB-CH2 3.9Å; F546-W580 HydrophobicContact CB-CZ2 3.72Å; F546-W580 AromaticContact CD1-CH2 3.79Å; F546-W580 HydrophobicContact CD1-CH2 3.79Å; F546-W580 AromaticContact CD1-CZ2 3.82Å; F546-W580 HydrophobicContact CD1-CZ2 3.82Å; F546-W580 HydrophobicContact CG-CH2 4.11Å; F546-W580 AromaticContact CG-CZ2 3.81Å; F546-W580 HydrophobicContact CG-CZ2 3.81Å; V552-W580 HydrophobicContact CG2-CH2 3.54Å; V552-W580 HydrophobicContact CG2-CZ2 4.16Å; V552-W580 HydrophobicContact CG2-CZ3 3.92Å; L568-W580 HydrophobicContact CB-CB 4.47Å; L568-W580 HydrophobicContact CB-CD2 4.28Å; L568-W580 HydrophobicContact CB-CE3 3.71Å; L568-W580 HydrophobicContact CB-CZ3 4.4Å; L568-W580 HydrophobicContact CD1-CB 4.42Å; L568-W580 HydrophobicContact CD1-CG 4.44Å; T569-W580 VanDerWaalsContact C-CE3 3.46Å; T569-W580 CarbonylContact O-C 3.59Å; T569-W580 WeakPolarHBondContact O-CA 3.4Å; C570-W580 HydrophobicContact CB-CE3 4.05Å; C570-W580 HydrophobicContact CB-CH2 3.95Å; C570-W580 HydrophobicContact CB-CZ3 3.71Å; C570-W580 VanDerWaalsContact N-CZ3 3.35Å; Y571-W580 WeakPolarHBondContact CE1-O 3.44Å; W580-D582 PolarHBondContact O-N 3.1Å |
| 581 | S | 91.2 | Very high | 81.4 | Confident | 55 Ų | 55 | 88.5 Ų | 88.5 | 39% | 0.385 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -49 | -42.8 | 174.4 | 53.9 | 0 | 0 | 0 | 0 | 112.6 | T569 | T569-S581 PolarHBondContact N-OG 2.9Å; T569-S581 PolarHBondContact O-N 2.79Å |
| 582 | D | 90.5 | Very high | 80.8 | Confident | 99 Ų | 99 | 89.7 Ų | 89.7 | 53% | 0.529 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -138.1 | 177.7 | -171.1 | -105.8 | -60.7 | 0 | 0 | 0 | 112.7 | A565 L568 W580 | A565-D582 HydrophobicContact CB-CB 3.78Å; L568-D582 HydrophobicContact CD2-CB 3.51Å; W580-D582 PolarHBondContact O-N 3.1Å |
| 583 | R | 90.9 | Very high | 80.7 | Confident | 223 Ų | 223 | 89.6 Ų | 89.6 | 84% | 0.842 | 45% | 0.454 | S | S | * | . | trans | -83.3 | 151.2 | 171.2 | -62.2 | 179.5 | -175.5 | -97.8 | 5.3 | 110.8 | ||||
| 584 | V | 92.5 | Very high | 81.1 | Confident | 61 Ų | 61 | 83.6 Ų | 83.6 | 37% | 0.37 | 43% | 0.432 | S | S | . | . | trans | -52.2 | 126.9 | 175.2 | -168.8 | 0 | 0 | 0 | 0 | 110.6 | P531 I534 Y554 | P531-V584 HydrophobicContact CB-CG2 4.18Å; P531-V584 WeakPolarHBondContact O-CG2 3.46Å; I534-V584 HydrophobicContact CG2-CG1 3.48Å; I534-V584 VanDerWaalsContact CG2-CG1 3.48Å; Y554-V584 HydrophobicContact CE1-CG1 4.49Å | ||
| 585 | P | 92.8 | Very high | 82.2 | Confident | 5 Ų | 5 | 81.3 Ų | 81.3 | 3% | 0.032 | 42% | 0.419 | C | S | . | . | trans | -74.8 | 175.3 | -177.9 | 32.3 | -37.6 | 0 | 0 | 0 | 112.6 | I534 Y554 L562 E563 A565 | I534-P585 HydrophobicContact CD1-CG 4.5Å; I534-P585 WeakPolarHBondContact CG2-O 3.49Å; Y554-P585 HydrophobicContact CD1-CG 4.47Å; Y554-P585 HydrophobicContact CD2-CG 3.66Å; Y554-P585 HydrophobicContact CE2-CG 4.4Å; Y554-P585 HydrophobicContact CG-CG 3.69Å; L562-P585 HydrophobicContact CD1-CB 4.31Å; L562-P585 HydrophobicContact CD1-CG 4.23Å; L562-P585 HydrophobicContact CD2-CB 3.66Å; L562-P585 HydrophobicContact CD2-CG 4.33Å; L562-P585 HydrophobicContact CG-CB 3.98Å; L562-P585 HydrophobicContact CG-CG 4.44Å; E563-P585 CarbonylContact O-C 3.37Å; E563-P585 VanDerWaalsContact O-CA 3.32Å; E563-P585 WeakPolarHBondContact O-CA 3.27Å; E563-P585 VanDerWaalsContact O-CB 3.29Å; E563-P585 WeakPolarHBondContact O-CB 3.43Å; A565-P585 WeakPolarHBondContact O-CG 3.21Å | ||
| 586 | K | 92.9 | Very high | 83.6 | Confident | 146 Ų | 146 | 76.4 Ų | 76.4 | 64% | 0.635 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127 | 157.5 | 176.5 | -63.1 | -179.1 | -177.4 | 177.8 | 0 | 111.5 | L562 E563 | L562-K586 CarbonylContact C-O 3.56Å; L562-K586 WeakPolarHBondContact CA-O 3.48Å; E563-K586 PolarHBondContact N-O 3.32Å; E563-K586 PolarHBondContact O-N 2.97Å |
| 587 | C | 91 | Very high | 84.7 | Confident | 17 Ų | 17 | 76.3 Ų | 76.3 | 12% | 0.115 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 109.3 | 173.9 | -68.5 | 0 | 0 | 0 | 0 | 110.3 | I534 N536 C556 Y560 S561 | I534-C587 VanDerWaalsContact CD1-SG 3.6Å; N536-C587 HydrophobicContact CB-CB 4.1Å; N536-C587 PolarHBondContact O-SG 2.62Å; C556-C587 WeakPolarHBondContact CA-SG 3.21Å; C556-C587 HydrophobicContact CB-CB 3.8Å; C556-C587 WeakPolarHBondContact CB-SG 3.41Å; C556-C587 WeakPolarHBondContact SG-CA 3.37Å; C556-C587 WeakPolarHBondContact SG-CB 3.49Å; C556-C587 CovalentContact SG-SG 2.04Å; C556-C587 PolarHBondContact SG-SG 2.94Å; Y560-C587 HydrophobicContact CD1-CB 4.33Å; S561-C587 WeakPolarHBondContact O-CA 3.41Å |
| 588 | A | 85.3 | Confident | 85.2 | Confident | 26 Ų | 26 | 71.7 Ų | 71.7 | 22% | 0.215 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 152.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y560 S561 E563 | Y560-A588 CarbonylContact C-O 3.59Å; Y560-A588 WeakPolarHBondContact CA-O 3.5Å; Y560-A588 WeakPolarHBondContact CB-O 3.34Å; S561-A588 PolarHBondContact N-O 2.85Å; S561-A588 PolarHBondContact O-N 2.9Å; E563-A588 HydrophobicContact CG-CB 4.07Å; E563-A588 WeakPolarHBondContact OE1-CB 3.4Å |
| 589 | L | 77.8 | Confident | 85.4 | Confident | 74 Ų | 74 | 74.3 Ų | 74.3 | 39% | 0.387 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 134.6 | 179.1 | -79.9 | 166.6 | 0 | 0 | 0 | 111.5 | Y560 Y591 | Y560-L589 HydrophobicContact CD1-CD2 3.97Å; Y560-L589 HydrophobicContact CD1-CG 4.08Å; Y560-L589 HydrophobicContact CD2-CD2 4.34Å; Y560-L589 HydrophobicContact CE1-CD2 3.51Å; Y560-L589 HydrophobicContact CE1-CG 3.61Å; Y560-L589 HydrophobicContact CE2-CD2 3.93Å; Y560-L589 HydrophobicContact CG-CD2 4.36Å; Y560-L589 VanDerWaalsContact CZ-CD2 3.48Å; L589-Y591 HydrophobicContact CB-CE1 4.34Å |
| 590 | K | 69.7 | Low | 85.4 | Confident | 137 Ų | 137 | 68.8 Ų | 68.8 | 60% | 0.596 | 35% | 0.351 | S | S | * | . | trans | -102.3 | 99.8 | 178 | -175 | -173.8 | 175.4 | -172.6 | 0 | 110.4 | G559 H640 | G559-K590 PolarHBondContact O-N 3.4Å; K590-H640 PolarHBondContact O-CE1 3.02Å | ||
| 591 | Y | 70.6 | Confident | 85 | Confident | 105 Ų | 105 | 75.4 Ų | 75.4 | 41% | 0.412 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 144.6 | 174.9 | -54.3 | -64.7 | 0 | 0 | 0 | 112 | L589 P638 | L589-Y591 HydrophobicContact CB-CE1 4.34Å; Y591-P638 HydrophobicContact CD1-CB 3.66Å; Y591-P638 HydrophobicContact CD2-CB 4.18Å; Y591-P638 HydrophobicContact CE1-CB 3.7Å; Y591-P638 HydrophobicContact CE2-CB 4.2Å; Y591-P638 HydrophobicContact CG-CB 3.92Å |
| 592 | E | 74.7 | Confident | 84.9 | Confident | 113 Ų | 113 | 76 Ų | 76 | 53% | 0.528 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -86.8 | 141.6 | 168.4 | -64.5 | -177 | 150 | 0 | 0 | 109.7 | S642 | E592-S642 WeakPolarHBondContact O-CB 3.33Å; E592-S642 PolarHBondContact O-OG 2.91Å |
| 593 | P | 79.4 | Confident | 84.7 | Confident | 48 Ų | 48 | 71.6 Ų | 71.6 | 31% | 0.312 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -76.3 | 145.8 | -178.8 | 31.9 | -35.6 | 0 | 0 | 0 | 112 | L595 H611 Y612 | P593-L595 PolarHBondContact O-N 2.9Å; P593-H611 HydrophobicContact CB-CB 4.08Å; P593-H611 HydrophobicContact CG-CB 4.05Å; P593-Y612 CarbonylContact C-O 3.57Å; P593-Y612 WeakPolarHBondContact CA-O 3.31Å; P593-Y612 WeakPolarHBondContact CB-O 3.36Å |
| 594 | C | 84.2 | Confident | 84.6 | Confident | 3 Ų | 3 | 65.9 Ų | 65.9 | 2% | 0.02 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 133.7 | 174.3 | -59.9 | 0 | 0 | 0 | 0 | 110.9 | H611 Y612 C636 S642 W644 | C594-H611 CarbonylContact O-C 3.56Å; C594-H611 WeakPolarHBondContact O-CA 3.45Å; C594-Y612 PolarHBondContact N-O 3.24Å; C594-Y612 PolarHBondContact O-N 3.17Å; C594-C636 HydrophobicContact CB-CB 3.81Å; C594-C636 WeakPolarHBondContact CB-SG 3.47Å; C594-C636 VanDerWaalsContact SG-CA 3.52Å; C594-C636 WeakPolarHBondContact SG-CB 3.26Å; C594-C636 CovalentContact SG-SG 2.03Å; C594-C636 PolarHBondContact SG-SG 3.28Å; C594-S642 VanDerWaalsContact SG-C 3.59Å; C594-W644 HydrophobicContact CB-CD2 4.34Å; C594-W644 HydrophobicContact CB-CZ2 3.73Å |
| 595 | L | 85.4 | Confident | 84.4 | Confident | 118 Ų | 118 | 64 Ų | 64 | 62% | 0.618 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 153.9 | 169.1 | -71.6 | 167.5 | 0 | 0 | 0 | 111.1 | P593 W644 | P593-L595 PolarHBondContact O-N 2.9Å; L595-W644 PolarHBondContact O-NE1 2.88Å |
| 596 | N | 86.9 | Confident | 84 | Confident | 35 Ų | 35 | 67.4 Ų | 67.4 | 19% | 0.187 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 123.9 | 173.8 | -168.9 | -41 | 0 | 0 | 0 | 110.9 | G598 Q605 K609 H610 Y612 | N596-G598 PolarHBondContact O-N 2.96Å; N596-G598 PolarHBondContact OD1-N 2.9Å; N596-Q605 PolarHBondContact ND2-NE2 3.46Å; N596-K609 WeakPolarHBondContact CB-O 3.04Å; N596-K609 PolarHBondContact ND2-O 3.06Å; N596-H610 PolarHBondContact N-O 3.34Å; N596-H610 VanDerWaalsContact N-O 3.08Å; N596-Y612 HydrophobicContact CB-CE2 3.91Å; N596-Y612 PolarHBondContact ND2-OH 2.83Å |
| 597 | P | 86.4 | Confident | 83.6 | Confident | 36 Ų | 36 | 64.8 Ų | 64.8 | 23% | 0.234 | 34% | 0.339 | C | S | . | . | trans | -75.2 | -9.4 | -176 | 29.3 | -32.8 | 0 | 0 | 0 | 113.9 | L618 F620 I634 W644 | P597-L618 HydrophobicContact CG-CD1 3.83Å; P597-F620 HydrophobicContact CG-CZ 4.26Å; P597-I634 HydrophobicContact CB-CD1 4.19Å; P597-I634 HydrophobicContact CG-CD1 3.81Å; P597-W644 HydrophobicContact CB-CG 4.49Å; P597-W644 HydrophobicContact CG-CD2 4.36Å; P597-W644 HydrophobicContact CG-CZ2 4.25Å | ||
| 598 | G | 84.1 | Confident | 83.3 | Confident | 31 Ų | 31 | 71.2 Ų | 71.2 | 32% | 0.32 | 36% | 0.362 | S | S | . | . | trans | 94.5 | 159.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | N596 Q605 F620 | N596-G598 PolarHBondContact O-N 2.96Å; N596-G598 PolarHBondContact OD1-N 2.9Å; G598-Q605 PolarHBondContact O-OE1 3.33Å; G598-F620 WeakPolarHBondContact O-CE1 3.4Å | ||
| 599 | V | 87.1 | Confident | 83.2 | Confident | 73 Ų | 73 | 73.4 Ų | 73.4 | 44% | 0.442 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -97.8 | 134.1 | 177.2 | -178.9 | 0 | 0 | 0 | 0 | 108.7 | G603 Q605 | V599-G603 WeakPolarHBondContact CG1-O 3.29Å; V599-Q605 HydrophobicContact CG2-CB 4.5Å; V599-Q605 HydrophobicContact CG2-CG 3.92Å; V599-Q605 VanDerWaalsContact CG2-OE1 3.23Å |
| 600 | P | 87.6 | Confident | 83.3 | Confident | 13 Ų | 13 | 75.8 Ų | 75.8 | 8% | 0.084 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 149 | 176.1 | 26.7 | -33.4 | 0 | 0 | 0 | 113.3 | N602 G603 F620 P649 | P600-N602 PolarHBondContact O-N 2.04Å; P600-G603 PolarHBondContact O-N 2.87Å; P600-F620 HydrophobicContact CG-CD1 4.27Å; P600-P649 WeakPolarHBondContact CB-O 3.34Å; P600-P649 WeakPolarHBondContact CG-O 3.31Å |
| 601 | E | 84.8 | Confident | 84 | Confident | 166 Ų | 166 | 74.2 Ų | 74.2 | 78% | 0.776 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 134.7 | 170.9 | -164.5 | 179.3 | -177.7 | 0 | 0 | 110 | G603 C651 | E601-G603 VanDerWaalsContact C-N 3.26Å; E601-G603 PolarHBondContact O-N 3.09Å; E601-C651 WeakPolarHBondContact O-CB 3.18Å |
| 602 | N | 87.4 | Confident | 84.8 | Confident | 68 Ų | 68 | 69.3 Ų | 69.3 | 36% | 0.364 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 26.7 | -171.9 | -52.9 | -62.1 | 0 | 0 | 0 | 115.5 | P600 Y623 F626 C651 | P600-N602 PolarHBondContact O-N 2.04Å; N602-Y623 WeakPolarHBondContact O-CD2 3.14Å; N602-Y623 PolarHBondContact O-N 2.89Å; N602-F626 HydrophobicContact CB-CD1 3.78Å; N602-F626 HydrophobicContact CB-CD2 4.07Å; N602-F626 HydrophobicContact CB-CE1 3.62Å; N602-F626 HydrophobicContact CB-CE2 3.92Å; N602-F626 HydrophobicContact CB-CG 4.02Å; N602-F626 HydrophobicContact CB-CZ 3.7Å; N602-F626 VanDerWaalsContact CG-CZ 3.44Å; N602-F626 WeakPolarHBondContact ND2-CE1 3.47Å; N602-C651 HydrophobicContact CB-CB 4.31Å |
| 603 | G | 87.2 | Confident | 85.2 | Confident | 5 Ų | 5 | 69.4 Ų | 69.4 | 5% | 0.052 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | -171.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | V599 P600 E601 F621 Y623 | V599-G603 WeakPolarHBondContact CG1-O 3.29Å; P600-G603 PolarHBondContact O-N 2.87Å; E601-G603 VanDerWaalsContact C-N 3.26Å; E601-G603 PolarHBondContact O-N 3.09Å; G603-F621 CarbonylContact C-O 3.57Å; G603-F621 WeakPolarHBondContact CA-O 3.44Å; G603-Y623 WeakPolarHBondContact O-CE2 3.48Å; G603-Y623 PolarHBondContact O-OH 2.85Å |
| 604 | Y | 88.6 | Confident | 85.2 | Confident | 104 Ų | 104 | 68.8 Ų | 68.8 | 41% | 0.408 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 165 | 175.8 | 65.4 | -83.6 | 0 | 0 | 0 | 111.7 | F620 F621 Y623 | Y604-F620 WeakPolarHBondContact O-CA 3.35Å; Y604-F621 HydrophobicContact CD1-CB 4.06Å; Y604-F621 HydrophobicContact CD2-CB 4.39Å; Y604-F621 HydrophobicContact CD2-CD2 4.26Å; Y604-F621 HydrophobicContact CE1-CB 3.55Å; Y604-F621 HydrophobicContact CE1-CG 4.47Å; Y604-F621 HydrophobicContact CE2-CB 3.92Å; Y604-F621 AromaticContact CE2-CD2 3.62Å; Y604-F621 HydrophobicContact CE2-CD2 3.62Å; Y604-F621 HydrophobicContact CE2-CE2 4.5Å; Y604-F621 HydrophobicContact CE2-CG 4.09Å; Y604-F621 HydrophobicContact CG-CB 4.46Å; Y604-F621 VanDerWaalsContact CZ-CB 3.47Å; Y604-F621 AromaticContact CZ-CD2 3.92Å; Y604-F621 AromaticContact CZ-CG 3.9Å; Y604-F621 PolarHBondContact N-O 3.12Å; Y604-F621 PolarHBondContact O-N 3.44Å; Y604-Y623 HydrophobicContact CD1-CD1 4.07Å; Y604-Y623 AromaticContact CD1-CE1 3.56Å; Y604-Y623 HydrophobicContact CD1-CE1 3.56Å; Y604-Y623 HydrophobicContact CE1-CD1 4.33Å; Y604-Y623 HydrophobicContact CE1-CE1 4.15Å; Y604-Y623 HydrophobicContact CG-CE1 4.43Å |
| 605 | Q | 89.1 | Confident | 85.1 | Confident | 20 Ų | 20 | 71.5 Ų | 71.5 | 9% | 0.093 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 153.4 | 177.6 | 74.2 | -174.2 | 49.6 | 0 | 0 | 111.7 | N596 G598 V599 L607 Y612 R619 F620 | N596-Q605 PolarHBondContact ND2-NE2 3.46Å; G598-Q605 PolarHBondContact O-OE1 3.33Å; V599-Q605 HydrophobicContact CG2-CB 4.5Å; V599-Q605 HydrophobicContact CG2-CG 3.92Å; V599-Q605 VanDerWaalsContact CG2-OE1 3.23Å; Q605-L607 VanDerWaalsContact C-N 3.33Å; Q605-L607 WeakPolarHBondContact CG-O 3.18Å; Q605-L607 PolarHBondContact NE2-O 3.43Å; Q605-L607 PolarHBondContact O-N 2.76Å; Q605-Y612 PolarHBondContact NE2-OH 3.48Å; Q605-R619 CarbonylContact C-O 3.21Å; Q605-R619 WeakPolarHBondContact CA-O 3.45Å; Q605-F620 HydrophobicContact CB-CD1 3.63Å; Q605-F620 HydrophobicContact CB-CE1 3.63Å |
| 606 | T | 84.7 | Confident | 85.2 | Confident | 78 Ų | 78 | 68.5 Ų | 68.5 | 48% | 0.479 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -63.5 | -30 | -174.4 | 43.7 | 0 | 0 | 0 | 0 | 115.6 | R619 F621 | T606-R619 HydrophobicContact CG2-CB 3.78Å; T606-R619 HydrophobicContact CG2-CG 4.34Å; T606-R619 PolarHBondContact N-O 2.99Å; T606-R619 PolarHBondContact OG1-N 3.35Å; T606-R619 PolarHBondContact OG1-O 3.04Å; T606-F621 HydrophobicContact CG2-CD2 4.5Å; T606-F621 HydrophobicContact CG2-CE2 3.71Å |
| 607 | L | 83.1 | Confident | 85.4 | Confident | 90 Ų | 90 | 70.1 Ų | 70.1 | 47% | 0.471 | 38% | 0.375 | S | S | . | . | trans | -148.9 | 140.3 | -173.6 | -171.9 | 64.3 | 0 | 0 | 0 | 109.9 | Q605 K609 Y612 L618 | Q605-L607 VanDerWaalsContact C-N 3.33Å; Q605-L607 WeakPolarHBondContact CG-O 3.18Å; Q605-L607 PolarHBondContact NE2-O 3.43Å; Q605-L607 PolarHBondContact O-N 2.76Å; L607-K609 HydrophobicContact CD2-CG 4.49Å; L607-K609 HydrophobicContact CG-CG 4.5Å; L607-Y612 PolarHBondContact O-OH 2.91Å; L607-Y612 VanDerWaalsContact O-OH 3.05Å; L607-L618 HydrophobicContact CB-CD2 4.28Å; L607-L618 WeakPolarHBondContact O-CD2 3.07Å | ||
| 608 | Y | 84.5 | Confident | 85.6 | Confident | 152 Ų | 152 | 68.4 Ų | 68.4 | 60% | 0.596 | 36% | 0.364 | S | S | * | . | trans | -116 | 112.6 | 175.3 | -172.3 | -85.9 | 0 | 0 | 0 | 111.1 | H610 | Y608-H610 AromaticContact CE1-CE1 3.68Å; Y608-H610 AromaticContact CZ-CE1 3.95Å; Y608-H610 PolarHBondContact OH-CE1 3.49Å | ||
| 609 | K | 83.4 | Confident | 86 | Confident | 72 Ų | 72 | 72.3 Ų | 72.3 | 31% | 0.313 | 37% | 0.369 | S | S | . | . | trans | -125.4 | 161.5 | 162.6 | -50.9 | -176.7 | -171.5 | 179.3 | 0 | 108.6 | N596 L607 H611 Y612 E616 | N596-K609 WeakPolarHBondContact CB-O 3.04Å; N596-K609 PolarHBondContact ND2-O 3.06Å; L607-K609 HydrophobicContact CD2-CG 4.49Å; L607-K609 HydrophobicContact CG-CG 4.5Å; K609-H611 VanDerWaalsContact CB-O 3.29Å; K609-H611 WeakPolarHBondContact CB-O 3.46Å; K609-H611 WeakPolarHBondContact CD-O 3.32Å; K609-Y612 HydrophobicContact CB-CD1 4.32Å; K609-Y612 HydrophobicContact CB-CE1 3.81Å; K609-Y612 HydrophobicContact CB-CE2 4.08Å; K609-Y612 HydrophobicContact CD-CD1 3.92Å; K609-Y612 HydrophobicContact CD-CE1 3.93Å; K609-Y612 HydrophobicContact CG-CD1 4.28Å; K609-Y612 HydrophobicContact CG-CE1 3.77Å; K609-Y612 PolarHBondContact N-OH 2.85Å; K609-Y612 WeakPolarHBondContact O-CE2 3.3Å; K609-Y612 PolarHBondContact O-OH 2.87Å; K609-E616 IonicContact NZ-OE1 3.79Å; K609-E616 PolarHBondContact NZ-OE1 2.62Å; K609-E616 IonicContact NZ-OE2 2.72Å; K609-E616 PolarHBondContact NZ-OE2 2.85Å | ||
| 610 | H | 80.4 | Confident | 86.3 | Confident | 125 Ų | 125 | 68.9 Ų | 68.9 | 58% | 0.579 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -78.2 | -28.6 | 168.9 | -63.2 | -69 | 0 | 0 | 0 | 112.8 | N596 Y608 | N596-H610 PolarHBondContact N-O 3.34Å; N596-H610 VanDerWaalsContact N-O 3.08Å; Y608-H610 AromaticContact CE1-CE1 3.68Å; Y608-H610 AromaticContact CZ-CE1 3.95Å; Y608-H610 PolarHBondContact OH-CE1 3.49Å |
| 611 | H | 85.4 | Confident | 86.5 | Confident | 104 Ų | 104 | 71.8 Ų | 71.8 | 48% | 0.481 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 146 | -177.9 | -56.8 | 97.1 | 0 | 0 | 0 | 110.1 | P593 C594 K609 | P593-H611 HydrophobicContact CB-CB 4.08Å; P593-H611 HydrophobicContact CG-CB 4.05Å; C594-H611 CarbonylContact O-C 3.56Å; C594-H611 WeakPolarHBondContact O-CA 3.45Å; K609-H611 VanDerWaalsContact CB-O 3.29Å; K609-H611 WeakPolarHBondContact CB-O 3.46Å; K609-H611 WeakPolarHBondContact CD-O 3.32Å |
| 612 | Y | 85.9 | Confident | 86.8 | Confident | 2 Ų | 2 | 65.1 Ų | 65.1 | 1% | 0.008 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 137.5 | -178.9 | -61.8 | -93.6 | 0 | 0 | 0 | 110.5 | P593 C594 N596 Q605 L607 K609 E616 L618 W644 | P593-Y612 CarbonylContact C-O 3.57Å; P593-Y612 WeakPolarHBondContact CA-O 3.31Å; P593-Y612 WeakPolarHBondContact CB-O 3.36Å; C594-Y612 PolarHBondContact N-O 3.24Å; C594-Y612 PolarHBondContact O-N 3.17Å; N596-Y612 HydrophobicContact CB-CE2 3.91Å; N596-Y612 PolarHBondContact ND2-OH 2.83Å; Q605-Y612 PolarHBondContact NE2-OH 3.48Å; L607-Y612 PolarHBondContact O-OH 2.91Å; L607-Y612 VanDerWaalsContact O-OH 3.05Å; K609-Y612 HydrophobicContact CB-CD1 4.32Å; K609-Y612 HydrophobicContact CB-CE1 3.81Å; K609-Y612 HydrophobicContact CB-CE2 4.08Å; K609-Y612 HydrophobicContact CD-CD1 3.92Å; K609-Y612 HydrophobicContact CD-CE1 3.93Å; K609-Y612 HydrophobicContact CG-CD1 4.28Å; K609-Y612 HydrophobicContact CG-CE1 3.77Å; K609-Y612 PolarHBondContact N-OH 2.85Å; K609-Y612 WeakPolarHBondContact O-CE2 3.3Å; K609-Y612 PolarHBondContact O-OH 2.87Å; Y612-E616 WeakPolarHBondContact CA-OE2 3.42Å; Y612-L618 HydrophobicContact CD1-CD2 4.42Å; Y612-L618 HydrophobicContact CD1-CG 4.36Å; Y612-L618 HydrophobicContact CD2-CD1 4.4Å; Y612-L618 HydrophobicContact CE1-CD1 4.05Å; Y612-L618 HydrophobicContact CE1-CD2 3.61Å; Y612-L618 HydrophobicContact CE1-CG 3.95Å; Y612-L618 HydrophobicContact CE2-CD1 3.92Å; Y612-W644 HydrophobicContact CD1-CH2 4.33Å; Y612-W644 AromaticContact CD2-CH2 3.94Å; Y612-W644 HydrophobicContact CD2-CH2 3.94Å; Y612-W644 AromaticContact CD2-CZ2 3.62Å; Y612-W644 HydrophobicContact CD2-CZ2 3.62Å; Y612-W644 HydrophobicContact CE2-CZ2 4.33Å; Y612-W644 AromaticContact CG-CH2 3.75Å; Y612-W644 HydrophobicContact CG-CH2 3.75Å; Y612-W644 AromaticContact CG-CZ2 3.89Å; Y612-W644 HydrophobicContact CG-CZ2 3.89Å |
| 613 | Q | 83.5 | Confident | 86.9 | Confident | 114 Ų | 114 | 67.8 Ų | 67.8 | 53% | 0.533 | 34% | 0.337 | S | S | . | . | trans | -76.3 | 155.7 | -179.7 | -62.1 | -61.8 | -16.8 | 0 | 0 | 111.4 | G615 E616 | Q613-G615 PolarHBondContact O-N 2.94Å; Q613-E616 HydrophobicContact CB-CG 4.19Å; Q613-E616 PolarHBondContact N-OE2 3.41Å; Q613-E616 VanDerWaalsContact O-CB 3.32Å; Q613-E616 WeakPolarHBondContact O-CB 3.4Å; Q613-E616 WeakPolarHBondContact O-CG 3.01Å; Q613-E616 PolarHBondContact O-N 2.94Å | ||
| 614 | A | 79.6 | Confident | 86.8 | Confident | 36 Ų | 36 | 76.9 Ų | 76.9 | 30% | 0.298 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 130.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | P638 | A614-P638 HydrophobicContact CB-CB 3.74Å; A614-P638 HydrophobicContact CB-CG 4.4Å |
| 615 | G | 83 | Confident | 86.4 | Confident | 59 Ų | 59 | 74.2 Ų | 74.2 | 61% | 0.608 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.4 | -16.9 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q613 C636 | Q613-G615 PolarHBondContact O-N 2.94Å; G615-C636 PolarHBondContact N-O 3.34Å |
| 616 | E | 87.3 | Confident | 86.3 | Confident | 56 Ų | 56 | 76 Ų | 76 | 26% | 0.262 | 39% | 0.39 | S | S | . | . | trans | -71 | 146.8 | 176.1 | -64.7 | -158 | 103.2 | 0 | 0 | 112.3 | K609 Y612 Q613 T635 C636 | K609-E616 IonicContact NZ-OE1 3.79Å; K609-E616 PolarHBondContact NZ-OE1 2.62Å; K609-E616 IonicContact NZ-OE2 2.72Å; K609-E616 PolarHBondContact NZ-OE2 2.85Å; Y612-E616 WeakPolarHBondContact CA-OE2 3.42Å; Q613-E616 HydrophobicContact CB-CG 4.19Å; Q613-E616 PolarHBondContact N-OE2 3.41Å; Q613-E616 VanDerWaalsContact O-CB 3.32Å; Q613-E616 WeakPolarHBondContact O-CB 3.4Å; Q613-E616 WeakPolarHBondContact O-CG 3.01Å; Q613-E616 PolarHBondContact O-N 2.94Å; E616-T635 WeakPolarHBondContact O-CA 3.36Å; E616-C636 PolarHBondContact O-N 2.83Å | ||
| 617 | S | 91.2 | Very high | 86.3 | Confident | 68 Ų | 68 | 78.4 Ų | 78.4 | 48% | 0.476 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 134.1 | -174 | -56.5 | 0 | 0 | 0 | 0 | 111.1 | I634 T635 | S617-I634 CarbonylContact C-O 3.53Å; S617-I634 WeakPolarHBondContact CA-O 3.09Å; S617-T635 VanDerWaalsContact OG-CG2 3.32Å; S617-T635 WeakPolarHBondContact OG-CG2 3.46Å |
| 618 | L | 90 | Very high | 86.6 | Confident | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 135.5 | 175.7 | -80.7 | 178.7 | 0 | 0 | 0 | 110.6 | P597 L607 Y612 T633 I634 W644 | P597-L618 HydrophobicContact CG-CD1 3.83Å; L607-L618 HydrophobicContact CB-CD2 4.28Å; L607-L618 WeakPolarHBondContact O-CD2 3.07Å; Y612-L618 HydrophobicContact CD1-CD2 4.42Å; Y612-L618 HydrophobicContact CD1-CG 4.36Å; Y612-L618 HydrophobicContact CD2-CD1 4.4Å; Y612-L618 HydrophobicContact CE1-CD1 4.05Å; Y612-L618 HydrophobicContact CE1-CD2 3.61Å; Y612-L618 HydrophobicContact CE1-CG 3.95Å; Y612-L618 HydrophobicContact CE2-CD1 3.92Å; L618-T633 CarbonylContact O-C 3.56Å; L618-T633 VanDerWaalsContact O-CA 3.25Å; L618-T633 WeakPolarHBondContact O-CA 3.47Å; L618-I634 HydrophobicContact CB-CG1 4.23Å; L618-I634 PolarHBondContact N-O 2.94Å; L618-I634 PolarHBondContact O-N 2.92Å; L618-W644 HydrophobicContact CB-CH2 4.47Å; L618-W644 HydrophobicContact CB-CZ3 4.36Å; L618-W644 HydrophobicContact CD1-CH2 3.61Å; L618-W644 HydrophobicContact CD1-CZ2 3.92Å; L618-W644 HydrophobicContact CD1-CZ3 4.21Å; L618-W644 HydrophobicContact CG-CH2 3.89Å; L618-W644 HydrophobicContact CG-CZ3 4.25Å |
| 619 | R | 92.7 | Very high | 86.8 | Confident | 114 Ų | 114 | 73.6 Ų | 73.6 | 43% | 0.43 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 140 | 178.3 | -179.5 | 170.2 | -163.2 | 103.8 | -6.8 | 110.6 | Q605 T606 F621 V632 T633 | Q605-R619 CarbonylContact C-O 3.21Å; Q605-R619 WeakPolarHBondContact CA-O 3.45Å; T606-R619 HydrophobicContact CG2-CB 3.78Å; T606-R619 HydrophobicContact CG2-CG 4.34Å; T606-R619 PolarHBondContact N-O 2.99Å; T606-R619 PolarHBondContact OG1-N 3.35Å; T606-R619 PolarHBondContact OG1-O 3.04Å; R619-F621 HydrophobicContact CG-CE2 4.07Å; R619-F621 HydrophobicContact CG-CZ 4.02Å; R619-V632 WeakPolarHBondContact CA-O 3.34Å; R619-V632 HydrophobicContact CG-CG1 4.19Å; R619-V632 WeakPolarHBondContact CG-O 3.47Å; R619-T633 HydrophobicContact CB-CG2 4.36Å; R619-T633 WeakPolarHBondContact CB-OG1 3.12Å; R619-T633 VanDerWaalsContact CG-OG1 3.32Å; R619-T633 WeakPolarHBondContact CG-OG1 3.3Å; R619-T633 PolarHBondContact NH1-OG1 2.88Å |
| 620 | F | 92.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 155.9 | -176.9 | -61.6 | -84.3 | 0 | 0 | 0 | 112.2 | P597 G598 P600 Y604 Q605 L628 V632 I634 P648 P649 | P597-F620 HydrophobicContact CG-CZ 4.26Å; G598-F620 WeakPolarHBondContact O-CE1 3.4Å; P600-F620 HydrophobicContact CG-CD1 4.27Å; Y604-F620 WeakPolarHBondContact O-CA 3.35Å; Q605-F620 HydrophobicContact CB-CD1 3.63Å; Q605-F620 HydrophobicContact CB-CE1 3.63Å; F620-L628 HydrophobicContact CB-CD1 4.26Å; F620-L628 WeakPolarHBondContact O-CD1 3.24Å; F620-V632 PolarHBondContact N-O 2.91Å; F620-V632 VanDerWaalsContact N-O 3.11Å; F620-I634 HydrophobicContact CE2-CD1 3.67Å; F620-I634 HydrophobicContact CE2-CG1 3.89Å; F620-I634 HydrophobicContact CZ-CD1 4.11Å; F620-P648 HydrophobicContact CE1-CB 4.45Å; F620-P648 HydrophobicContact CE2-CB 4.36Å; F620-P648 HydrophobicContact CZ-CB 4.02Å; F620-P649 HydrophobicContact CB-CG 3.63Å; F620-P649 HydrophobicContact CD2-CG 3.76Å; F620-P649 HydrophobicContact CG-CG 3.81Å |
| 621 | F | 91.9 | Very high | 87.6 | Confident | 75 Ų | 75 | 71.4 Ų | 71.4 | 33% | 0.329 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 152.1 | 176 | -61.1 | -80.7 | 0 | 0 | 0 | 109.7 | G603 Y604 T606 R619 | G603-F621 CarbonylContact C-O 3.57Å; G603-F621 WeakPolarHBondContact CA-O 3.44Å; Y604-F621 HydrophobicContact CD1-CB 4.06Å; Y604-F621 HydrophobicContact CD2-CB 4.39Å; Y604-F621 HydrophobicContact CD2-CD2 4.26Å; Y604-F621 HydrophobicContact CE1-CB 3.55Å; Y604-F621 HydrophobicContact CE1-CG 4.47Å; Y604-F621 HydrophobicContact CE2-CB 3.92Å; Y604-F621 AromaticContact CE2-CD2 3.62Å; Y604-F621 HydrophobicContact CE2-CD2 3.62Å; Y604-F621 HydrophobicContact CE2-CE2 4.5Å; Y604-F621 HydrophobicContact CE2-CG 4.09Å; Y604-F621 HydrophobicContact CG-CB 4.46Å; Y604-F621 VanDerWaalsContact CZ-CB 3.47Å; Y604-F621 AromaticContact CZ-CD2 3.92Å; Y604-F621 AromaticContact CZ-CG 3.9Å; Y604-F621 PolarHBondContact N-O 3.12Å; Y604-F621 PolarHBondContact O-N 3.44Å; T606-F621 HydrophobicContact CG2-CD2 4.5Å; T606-F621 HydrophobicContact CG2-CE2 3.71Å; R619-F621 HydrophobicContact CG-CE2 4.07Å; R619-F621 HydrophobicContact CG-CZ 4.02Å |
| 622 | C | 91.3 | Very high | 87.8 | Confident | 26 Ų | 26 | 68.7 Ų | 68.7 | 18% | 0.176 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 158.6 | 172.6 | -59.6 | 0 | 0 | 0 | 0 | 110.9 | F626 L628 C651 | C622-F626 HydrophobicContact CB-CB 3.96Å; C622-L628 VanDerWaalsContact SG-CA 3.59Å; C622-L628 VanDerWaalsContact SG-CB 3.56Å; C622-C651 WeakPolarHBondContact CA-SG 3.5Å; C622-C651 HydrophobicContact CB-CB 3.74Å; C622-C651 WeakPolarHBondContact CB-SG 3.33Å; C622-C651 VanDerWaalsContact SG-CA 3.51Å; C622-C651 WeakPolarHBondContact SG-CB 3.38Å; C622-C651 CovalentContact SG-SG 2.03Å; C622-C651 PolarHBondContact SG-SG 3.37Å |
| 623 | Y | 89.1 | Confident | 88.1 | Confident | 124 Ų | 124 | 70.4 Ų | 70.4 | 49% | 0.486 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -76.6 | 165.3 | 169.6 | -59.3 | -61.8 | 0 | 0 | 0 | 111.5 | N602 G603 Y604 F626 | N602-Y623 WeakPolarHBondContact O-CD2 3.14Å; N602-Y623 PolarHBondContact O-N 2.89Å; G603-Y623 WeakPolarHBondContact O-CE2 3.48Å; G603-Y623 PolarHBondContact O-OH 2.85Å; Y604-Y623 HydrophobicContact CD1-CD1 4.07Å; Y604-Y623 AromaticContact CD1-CE1 3.56Å; Y604-Y623 HydrophobicContact CD1-CE1 3.56Å; Y604-Y623 HydrophobicContact CE1-CD1 4.33Å; Y604-Y623 HydrophobicContact CE1-CE1 4.15Å; Y604-Y623 HydrophobicContact CG-CE1 4.43Å; Y623-F626 PolarHBondContact O-N 2.92Å |
| 624 | E | 86.4 | Confident | 88.5 | Confident | 196 Ų | 196 | 65 Ų | 65 | 92% | 0.916 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 139.2 | -177.4 | -62.4 | -171.7 | 153.4 | 0 | 0 | 112.3 | ||
| 625 | G | 79.1 | Confident | 89.1 | Confident | 48 Ų | 48 | 65.2 Ų | 65.2 | 50% | 0.495 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | -5.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | A654 | G625-A654 PolarHBondContact O-N 2.87Š|
| 626 | F | 86.9 | Confident | 89.4 | Confident | 57 Ų | 57 | 62.5 Ų | 62.5 | 25% | 0.25 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 136.7 | 177.9 | -60.4 | -101.7 | 0 | 0 | 0 | 112.5 | N602 C622 Y623 C651 K652 V653 | N602-F626 HydrophobicContact CB-CD1 3.78Å; N602-F626 HydrophobicContact CB-CD2 4.07Å; N602-F626 HydrophobicContact CB-CE1 3.62Å; N602-F626 HydrophobicContact CB-CE2 3.92Å; N602-F626 HydrophobicContact CB-CG 4.02Å; N602-F626 HydrophobicContact CB-CZ 3.7Å; N602-F626 VanDerWaalsContact CG-CZ 3.44Å; N602-F626 WeakPolarHBondContact ND2-CE1 3.47Å; C622-F626 HydrophobicContact CB-CB 3.96Å; Y623-F626 PolarHBondContact O-N 2.92Å; F626-C651 HydrophobicContact CB-CB 4.05Å; F626-C651 HydrophobicContact CD1-CB 4.43Å; F626-K652 CarbonylContact C-O 3.59Å; F626-K652 WeakPolarHBondContact CA-O 3.42Å; F626-V653 HydrophobicContact CD1-CG2 4.05Å; F626-V653 HydrophobicContact CE1-CG2 3.61Å; F626-V653 HydrophobicContact CZ-CG2 4.19Å |
| 627 | E | 85.6 | Confident | 89.3 | Confident | 128 Ų | 128 | 62.9 Ų | 62.9 | 60% | 0.598 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 145.1 | 171.1 | -72.2 | -174.5 | 169.3 | 0 | 0 | 111.8 | C651 K652 A654 | E627-C651 WeakPolarHBondContact O-CA 3.44Å; E627-K652 PolarHBondContact N-O 3.06Å; E627-K652 PolarHBondContact O-N 2.83Å; E627-A654 HydrophobicContact CG-CB 3.92Å |
| 628 | L | 89.3 | Confident | 88.8 | Confident | 49 Ų | 49 | 63.1 Ų | 63.1 | 26% | 0.257 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 118.6 | -179.3 | -170.7 | 159.8 | 0 | 0 | 0 | 110.3 | F620 C622 V632 P649 | F620-L628 HydrophobicContact CB-CD1 4.26Å; F620-L628 WeakPolarHBondContact O-CD1 3.24Å; C622-L628 VanDerWaalsContact SG-CA 3.59Å; C622-L628 VanDerWaalsContact SG-CB 3.56Å; L628-V632 HydrophobicContact CD1-CG2 4.45Å; L628-V632 HydrophobicContact CD2-CG2 3.85Å; L628-P649 HydrophobicContact CD1-CG 4.16Å; L628-P649 HydrophobicContact CD2-CB 3.44Å; L628-P649 VanDerWaalsContact CD2-CB 3.44Å; L628-P649 HydrophobicContact CD2-CG 3.91Å; L628-P649 HydrophobicContact CG-CB 3.9Å; L628-P649 HydrophobicContact CG-CG 4.07Å |
| 629 | I | 88.7 | Confident | 87.8 | Confident | 92 Ų | 92 | 64 Ų | 64 | 47% | 0.472 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 105.3 | 179.5 | -54.9 | 177.6 | 0 | 0 | 0 | 109 | L650 K652 | I629-L650 PolarHBondContact N-O 2.92Å; I629-L650 PolarHBondContact O-N 3.2Å; I629-K652 HydrophobicContact CD1-CB 4.1Å; I629-K652 HydrophobicContact CD1-CD 3.77Å; I629-K652 HydrophobicContact CD1-CG 3.98Å |
| 630 | G | 88.8 | Confident | 86.4 | Confident | 54 Ų | 54 | 64 Ų | 64 | 56% | 0.557 | 35% | 0.35 | S | S | * | . | S | Bend | trans | 141.1 | -166.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 631 | E | 91.9 | Very high | 85.4 | Confident | 97 Ų | 97 | 67.6 Ų | 67.6 | 45% | 0.453 | 37% | 0.374 | S | S | . | . | trans | -77 | 129.1 | 177.2 | -176 | 47.4 | -108.5 | 0 | 0 | 110.6 | T633 I634 P649 | E631-T633 VanDerWaalsContact C-N 3.34Å; E631-T633 WeakPolarHBondContact CG-O 3.43Å; E631-T633 PolarHBondContact OE1-N 2.84Å; E631-I634 HydrophobicContact CB-CG2 4.1Å; E631-I634 HydrophobicContact CG-CG2 4.09Å; E631-P649 WeakPolarHBondContact O-CG 3.4Å | ||
| 632 | V | 89.8 | Confident | 84.9 | Confident | 48 Ų | 48 | 64.6 Ų | 64.6 | 29% | 0.291 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -75.3 | -27.8 | -176.4 | 180 | 0 | 0 | 0 | 0 | 110.7 | R619 F620 L628 | R619-V632 WeakPolarHBondContact CA-O 3.34Å; R619-V632 HydrophobicContact CG-CG1 4.19Å; R619-V632 WeakPolarHBondContact CG-O 3.47Å; F620-V632 PolarHBondContact N-O 2.91Å; F620-V632 VanDerWaalsContact N-O 3.11Å; L628-V632 HydrophobicContact CD1-CG2 4.45Å; L628-V632 HydrophobicContact CD2-CG2 3.85Å |
| 633 | T | 91.9 | Very high | 84.7 | Confident | 37 Ų | 37 | 69.4 Ų | 69.4 | 23% | 0.227 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 113 | 178 | -59.4 | 0 | 0 | 0 | 0 | 112.2 | L618 R619 E631 | L618-T633 CarbonylContact O-C 3.56Å; L618-T633 VanDerWaalsContact O-CA 3.25Å; L618-T633 WeakPolarHBondContact O-CA 3.47Å; R619-T633 HydrophobicContact CB-CG2 4.36Å; R619-T633 WeakPolarHBondContact CB-OG1 3.12Å; R619-T633 VanDerWaalsContact CG-OG1 3.32Å; R619-T633 WeakPolarHBondContact CG-OG1 3.3Å; R619-T633 PolarHBondContact NH1-OG1 2.88Å; E631-T633 VanDerWaalsContact C-N 3.34Å; E631-T633 WeakPolarHBondContact CG-O 3.43Å; E631-T633 PolarHBondContact OE1-N 2.84Å |
| 634 | I | 91.8 | Very high | 84.7 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 151.3 | 178.5 | 66.5 | 179.8 | 0 | 0 | 0 | 110.6 | P597 S617 L618 F620 E631 W644 | P597-I634 HydrophobicContact CB-CD1 4.19Å; P597-I634 HydrophobicContact CG-CD1 3.81Å; S617-I634 CarbonylContact C-O 3.53Å; S617-I634 WeakPolarHBondContact CA-O 3.09Å; L618-I634 HydrophobicContact CB-CG1 4.23Å; L618-I634 PolarHBondContact N-O 2.94Å; L618-I634 PolarHBondContact O-N 2.92Å; F620-I634 HydrophobicContact CE2-CD1 3.67Å; F620-I634 HydrophobicContact CE2-CG1 3.89Å; F620-I634 HydrophobicContact CZ-CD1 4.11Å; E631-I634 HydrophobicContact CB-CG2 4.1Å; E631-I634 HydrophobicContact CG-CG2 4.09Å; I634-W644 HydrophobicContact CB-CE3 4.32Å; I634-W644 HydrophobicContact CD1-CB 4.33Å; I634-W644 HydrophobicContact CD1-CD2 4.1Å; I634-W644 HydrophobicContact CD1-CE3 4.01Å; I634-W644 HydrophobicContact CD1-CG 4.23Å; I634-W644 HydrophobicContact CG1-CD2 4.34Å; I634-W644 HydrophobicContact CG1-CE3 3.74Å; I634-W644 HydrophobicContact CG1-CZ3 4.24Å |
| 635 | T | 91.8 | Very high | 84.9 | Confident | 42 Ų | 42 | 60.2 Ų | 60.2 | 26% | 0.258 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 140 | -172.1 | 63.2 | 0 | 0 | 0 | 0 | 111.1 | E616 S617 V637 W644 T645 | E616-T635 WeakPolarHBondContact O-CA 3.36Å; S617-T635 VanDerWaalsContact OG-CG2 3.32Å; S617-T635 WeakPolarHBondContact OG-CG2 3.46Å; T635-V637 PolarHBondContact O-N 3.11Å; T635-W644 WeakPolarHBondContact O-CA 3.45Å; T635-T645 PolarHBondContact N-OG1 2.84Å; T635-T645 PolarHBondContact O-N 3.13Å; T635-T645 PolarHBondContact O-OG1 3.05Å; T635-T645 VanDerWaalsContact OG1-CG2 3.23Å; T635-T645 WeakPolarHBondContact OG1-CG2 3.37Å; T635-T645 PolarHBondContact OG1-OG1 2.54Å |
| 636 | C | 89.3 | Confident | 85.4 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.007 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 108.2 | 176.2 | 178 | 0 | 0 | 0 | 0 | 108.7 | C594 G615 E616 W644 | C594-C636 HydrophobicContact CB-CB 3.81Å; C594-C636 WeakPolarHBondContact CB-SG 3.47Å; C594-C636 VanDerWaalsContact SG-CA 3.52Å; C594-C636 WeakPolarHBondContact SG-CB 3.26Å; C594-C636 CovalentContact SG-SG 2.03Å; C594-C636 PolarHBondContact SG-SG 3.28Å; G615-C636 PolarHBondContact N-O 3.34Å; E616-C636 PolarHBondContact O-N 2.83Å; C636-W644 HydrophobicContact CB-CE3 4.15Å; C636-W644 HydrophobicContact CB-CH2 4.04Å; C636-W644 HydrophobicContact CB-CZ2 4.48Å; C636-W644 HydrophobicContact CB-CZ3 3.87Å |
| 637 | V | 86.6 | Confident | 85.4 | Confident | 64 Ų | 64 | 65.6 Ų | 65.6 | 39% | 0.388 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 137.2 | 177.2 | -76.7 | 0 | 0 | 0 | 0 | 111.2 | T635 G639 S642 Q643 T645 | T635-V637 PolarHBondContact O-N 3.11Å; V637-G639 PolarHBondContact O-N 3.25Å; V637-S642 WeakPolarHBondContact O-CA 2.97Å; V637-S642 VanDerWaalsContact O-CB 3.25Å; V637-S642 WeakPolarHBondContact O-CB 3.09Å; V637-Q643 WeakPolarHBondContact CG2-O 3.34Å; V637-Q643 PolarHBondContact N-O 3.5Å; V637-Q643 PolarHBondContact O-N 3.47Å; V637-T645 HydrophobicContact CG1-CG2 3.59Å; V637-T645 HydrophobicContact CG2-CG2 4.16Å |
| 638 | P | 79.3 | Confident | 85.4 | Confident | 74 Ų | 74 | 61.7 Ų | 61.7 | 48% | 0.481 | 35% | 0.352 | S | S | . | . | trans | -62.3 | 132.2 | -176.4 | 23.5 | -32.1 | 0 | 0 | 0 | 111.8 | Y591 A614 | Y591-P638 HydrophobicContact CD1-CB 3.66Å; Y591-P638 HydrophobicContact CD2-CB 4.18Å; Y591-P638 HydrophobicContact CE1-CB 3.7Å; Y591-P638 HydrophobicContact CE2-CB 4.2Å; Y591-P638 HydrophobicContact CG-CB 3.92Å; A614-P638 HydrophobicContact CB-CB 3.74Å; A614-P638 HydrophobicContact CB-CG 4.4Å | ||
| 639 | G | 68.6 | Low | 85.5 | Confident | 19 Ų | 19 | 59.5 Ų | 59.5 | 20% | 0.196 | 34% | 0.341 | C | S | . | . | trans | -166.8 | -170.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | V637 P641 S642 | V637-G639 PolarHBondContact O-N 3.25Å; G639-P641 CarbonylContact C-O 3.53Å; G639-P641 CarbonylContact O-C 3.59Å; G639-S642 PolarHBondContact N-OG 3.43Å; G639-S642 VanDerWaalsContact N-OG 3.09Å; G639-S642 PolarHBondContact O-N 3.27Å; G639-S642 PolarHBondContact O-OG 2.97Å | ||
| 640 | H | 64.8 | Low | 85.5 | Confident | 113 Ų | 113 | 60.1 Ų | 60.1 | 52% | 0.523 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.3 | 88 | 175.5 | -63.2 | -76.3 | 0 | 0 | 0 | 109.9 | K590 | K590-H640 PolarHBondContact O-CE1 3.02Š|
| 641 | P | 71.6 | Confident | 85.6 | Confident | 76 Ų | 76 | 58.3 Ų | 58.3 | 49% | 0.494 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -72.6 | 161.4 | -6.8 | 32.7 | -36.7 | 0 | 0 | 0 | 112.2 | G639 | G639-P641 CarbonylContact C-O 3.53Å; G639-P641 CarbonylContact O-C 3.59Å |
| 642 | S | 81.6 | Confident | 85.3 | Confident | 11 Ų | 11 | 59.5 Ų | 59.5 | 8% | 0.077 | 33% | 0.327 | C | S | . | . | trans | -66.9 | 147.8 | 169.2 | -58.4 | 0 | 0 | 0 | 0 | 110.7 | E592 C594 V637 G639 | E592-S642 WeakPolarHBondContact O-CB 3.33Å; E592-S642 PolarHBondContact O-OG 2.91Å; C594-S642 VanDerWaalsContact SG-C 3.59Å; V637-S642 WeakPolarHBondContact O-CA 2.97Å; V637-S642 VanDerWaalsContact O-CB 3.25Å; V637-S642 WeakPolarHBondContact O-CB 3.09Å; G639-S642 PolarHBondContact N-OG 3.43Å; G639-S642 VanDerWaalsContact N-OG 3.09Å; G639-S642 PolarHBondContact O-N 3.27Å; G639-S642 PolarHBondContact O-OG 2.97Å | ||
| 643 | Q | 85.4 | Confident | 85 | Confident | 128 Ų | 128 | 62.1 Ų | 62.1 | 60% | 0.598 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 157.5 | -171.8 | -59.4 | -174.5 | 17.3 | 0 | 0 | 111.7 | V637 | V637-Q643 WeakPolarHBondContact CG2-O 3.34Å; V637-Q643 PolarHBondContact N-O 3.5Å; V637-Q643 PolarHBondContact O-N 3.47Å |
| 644 | W | 89.9 | Confident | 83.9 | Confident | 46 Ų | 46 | 62.1 Ų | 62.1 | 17% | 0.174 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 140.7 | 171.2 | -66.2 | 104.1 | 0 | 0 | 0 | 110.6 | C594 L595 P597 Y612 L618 I634 T635 C636 S646 | C594-W644 HydrophobicContact CB-CD2 4.34Å; C594-W644 HydrophobicContact CB-CZ2 3.73Å; L595-W644 PolarHBondContact O-NE1 2.88Å; P597-W644 HydrophobicContact CB-CG 4.49Å; P597-W644 HydrophobicContact CG-CD2 4.36Å; P597-W644 HydrophobicContact CG-CZ2 4.25Å; Y612-W644 HydrophobicContact CD1-CH2 4.33Å; Y612-W644 AromaticContact CD2-CH2 3.94Å; Y612-W644 HydrophobicContact CD2-CH2 3.94Å; Y612-W644 AromaticContact CD2-CZ2 3.62Å; Y612-W644 HydrophobicContact CD2-CZ2 3.62Å; Y612-W644 HydrophobicContact CE2-CZ2 4.33Å; Y612-W644 AromaticContact CG-CH2 3.75Å; Y612-W644 HydrophobicContact CG-CH2 3.75Å; Y612-W644 AromaticContact CG-CZ2 3.89Å; Y612-W644 HydrophobicContact CG-CZ2 3.89Å; L618-W644 HydrophobicContact CB-CH2 4.47Å; L618-W644 HydrophobicContact CB-CZ3 4.36Å; L618-W644 HydrophobicContact CD1-CH2 3.61Å; L618-W644 HydrophobicContact CD1-CZ2 3.92Å; L618-W644 HydrophobicContact CD1-CZ3 4.21Å; L618-W644 HydrophobicContact CG-CH2 3.89Å; L618-W644 HydrophobicContact CG-CZ3 4.25Å; I634-W644 HydrophobicContact CB-CE3 4.32Å; I634-W644 HydrophobicContact CD1-CB 4.33Å; I634-W644 HydrophobicContact CD1-CD2 4.1Å; I634-W644 HydrophobicContact CD1-CE3 4.01Å; I634-W644 HydrophobicContact CD1-CG 4.23Å; I634-W644 HydrophobicContact CG1-CD2 4.34Å; I634-W644 HydrophobicContact CG1-CE3 3.74Å; I634-W644 HydrophobicContact CG1-CZ3 4.24Å; T635-W644 WeakPolarHBondContact O-CA 3.45Å; C636-W644 HydrophobicContact CB-CE3 4.15Å; C636-W644 HydrophobicContact CB-CH2 4.04Å; C636-W644 HydrophobicContact CB-CZ2 4.48Å; C636-W644 HydrophobicContact CB-CZ3 3.87Å; W644-S646 WeakPolarHBondContact CB-O 3.49Å; W644-S646 PolarHBondContact O-N 3.08Å |
| 645 | T | 90.9 | Very high | 82.4 | Confident | 80 Ų | 80 | 72 Ų | 72 | 49% | 0.491 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -64.5 | -18.9 | 177.7 | 39.5 | 0 | 0 | 0 | 0 | 114.7 | T635 V637 | T635-T645 PolarHBondContact N-OG1 2.84Å; T635-T645 PolarHBondContact O-N 3.13Å; T635-T645 PolarHBondContact O-OG1 3.05Å; T635-T645 VanDerWaalsContact OG1-CG2 3.23Å; T635-T645 WeakPolarHBondContact OG1-CG2 3.37Å; T635-T645 PolarHBondContact OG1-OG1 2.54Å; V637-T645 HydrophobicContact CG1-CG2 3.59Å; V637-T645 HydrophobicContact CG2-CG2 4.16Å |
| 646 | S | 88.6 | Confident | 80.7 | Confident | 56 Ų | 56 | 79.2 Ų | 79.2 | 39% | 0.392 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -154.2 | 169 | 170.3 | -164.1 | 0 | 0 | 0 | 0 | 110.9 | W644 | W644-S646 WeakPolarHBondContact CB-O 3.49Å; W644-S646 PolarHBondContact O-N 3.08Å |
| 647 | Q | 87.8 | Confident | 78.9 | Confident | 162 Ų | 162 | 88.4 Ų | 88.4 | 76% | 0.757 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -73.7 | 156.1 | 170.5 | -68.4 | -176.1 | -0.2 | 0 | 0 | 110.7 | ||
| 648 | P | 86.2 | Confident | 77.3 | Confident | 47 Ų | 47 | 93 Ų | 93 | 31% | 0.305 | 48% | 0.48 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 139.7 | 175.4 | 25.9 | -35 | 0 | 0 | 0 | 111.1 | F620 | F620-P648 HydrophobicContact CE1-CB 4.45Å; F620-P648 HydrophobicContact CE2-CB 4.36Å; F620-P648 HydrophobicContact CZ-CB 4.02Å |
| 649 | P | 89.9 | Confident | 75.9 | Confident | 3 Ų | 3 | 98 Ų | 98 | 2% | 0.019 | 50% | 0.502 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 161.3 | -179.5 | 32 | -36.7 | 0 | 0 | 0 | 111.8 | P600 F620 L628 E631 | P600-P649 WeakPolarHBondContact CB-O 3.34Å; P600-P649 WeakPolarHBondContact CG-O 3.31Å; F620-P649 HydrophobicContact CB-CG 3.63Å; F620-P649 HydrophobicContact CD2-CG 3.76Å; F620-P649 HydrophobicContact CG-CG 3.81Å; L628-P649 HydrophobicContact CD1-CG 4.16Å; L628-P649 HydrophobicContact CD2-CB 3.44Å; L628-P649 VanDerWaalsContact CD2-CB 3.44Å; L628-P649 HydrophobicContact CD2-CG 3.91Å; L628-P649 HydrophobicContact CG-CB 3.9Å; L628-P649 HydrophobicContact CG-CG 4.07Å; E631-P649 WeakPolarHBondContact O-CG 3.4Å |
| 650 | L | 90.1 | Very high | 74.8 | Confident | 105 Ų | 105 | 103.6 Ų | 103.6 | 55% | 0.55 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 143.3 | 179.9 | -61.9 | 174.6 | 0 | 0 | 0 | 111.7 | I629 | I629-L650 PolarHBondContact N-O 2.92Å; I629-L650 PolarHBondContact O-N 3.2Å |
| 651 | C | 90.4 | Very high | 73.8 | Confident | 15 Ų | 15 | 106 Ų | 106 | 10% | 0.101 | 54% | 0.544 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 123.3 | 173.4 | -61.4 | 0 | 0 | 0 | 0 | 110.5 | E601 N602 C622 F626 E627 | E601-C651 WeakPolarHBondContact O-CB 3.18Å; N602-C651 HydrophobicContact CB-CB 4.31Å; C622-C651 WeakPolarHBondContact CA-SG 3.5Å; C622-C651 HydrophobicContact CB-CB 3.74Å; C622-C651 WeakPolarHBondContact CB-SG 3.33Å; C622-C651 VanDerWaalsContact SG-CA 3.51Å; C622-C651 WeakPolarHBondContact SG-CB 3.38Å; C622-C651 CovalentContact SG-SG 2.03Å; C622-C651 PolarHBondContact SG-SG 3.37Å; F626-C651 HydrophobicContact CB-CB 4.05Å; F626-C651 HydrophobicContact CD1-CB 4.43Å; E627-C651 WeakPolarHBondContact O-CA 3.44Å |
| 652 | K | 86.1 | Confident | 72.3 | Confident | 122 Ų | 122 | 113.3 Ų | 113.3 | 53% | 0.53 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -126.4 | 148.3 | 179 | -66.3 | -163.4 | -173 | 178.4 | 0 | 112.4 | F626 E627 I629 A654 | F626-K652 CarbonylContact C-O 3.59Å; F626-K652 WeakPolarHBondContact CA-O 3.42Å; E627-K652 PolarHBondContact N-O 3.06Å; E627-K652 PolarHBondContact O-N 2.83Å; I629-K652 HydrophobicContact CD1-CB 4.1Å; I629-K652 HydrophobicContact CD1-CD 3.77Å; I629-K652 HydrophobicContact CD1-CG 3.98Å; K652-A654 PolarHBondContact O-N 3.15Å |
| 653 | V | 82.4 | Confident | 70 | Confident | 103 Ų | 103 | 120.9 Ų | 120.9 | 62% | 0.624 | 59% | 0.593 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -60.7 | 132.5 | -178.3 | -177 | 0 | 0 | 0 | 0 | 111 | F626 Y655 | F626-V653 HydrophobicContact CD1-CG2 4.05Å; F626-V653 HydrophobicContact CE1-CG2 3.61Å; F626-V653 HydrophobicContact CZ-CG2 4.19Å; V653-Y655 PolarHBondContact O-N 2.79Å |
| 654 | A | 69.3 | Low | 67.9 | Low | 37 Ų | 37 | 121.5 Ų | 121.5 | 31% | 0.306 | 60% | 0.6 | S | S | . | * | S | Bend | trans | -85.1 | -1.6 | -169 | 0 | 0 | 0 | 0 | 0 | 116.1 | G625 E627 K652 | G625-A654 PolarHBondContact O-N 2.87Å; E627-A654 HydrophobicContact CG-CB 3.92Å; K652-A654 PolarHBondContact O-N 3.15Å |
| 655 | Y | 60.9 | Low | 65.3 | Low | 207 Ų | 207 | 127.3 Ų | 127.3 | 81% | 0.812 | 63% | 0.629 | S | S | * | * | trans | -138.7 | 72.9 | -166.5 | -80.4 | -75.6 | 0 | 0 | 0 | 114.8 | V653 | V653-Y655 PolarHBondContact O-N 2.79Š| ||
| 656 | E | 54.6 | Low | 62.7 | Low | 195 Ų | 195 | 130.5 Ų | 130.5 | 91% | 0.911 | 65% | 0.648 | S | S | * | * | trans | -142.2 | 80.9 | 159.3 | -75.3 | -160.7 | 146.9 | 0 | 0 | 111.8 | ||||
| 657 | E | 51.1 | Low | 60 | Low | 194 Ų | 194 | 133.4 Ų | 133.4 | 91% | 0.907 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -123 | 9.2 | 167.4 | -146.9 | -177.2 | -143.5 | 0 | 0 | 113 | ||
| 658 | L | 53.9 | Low | 57.2 | Low | 161 Ų | 161 | 135 Ų | 135 | 84% | 0.843 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -142.3 | 72.8 | -178.9 | -72.1 | 175.4 | 0 | 0 | 0 | 111.8 | ||
| 659 | L | 49.8 | Very low | 54.6 | Low | 178 Ų | 178 | 138.1 Ų | 138.1 | 93% | 0.932 | 69% | 0.69 | S | S | * | * | S | Bend | trans | 168.8 | 53.4 | 144.7 | -91.9 | 163.6 | 0 | 0 | 0 | 116.3 | ||
| 660 | D | 44.7 | Very low | 51.8 | Low | 137 Ų | 137 | 145 Ų | 145 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | trans | -146.3 | 107 | 138.1 | -158.7 | -18.8 | 0 | 0 | 0 | 112.4 | R662 | D660-R662 VanDerWaalsContact OD1-C 3.24Å; D660-R662 PolarHBondContact OD1-N 3.32Å | ||
| 661 | N | 44.9 | Very low | 49.1 | Very low | 164 Ų | 164 | 146.9 Ų | 146.9 | 88% | 0.877 | 74% | 0.742 | S | S | * | * | trans | -137.1 | 42.1 | 169.3 | -143.7 | -29.7 | 0 | 0 | 0 | 110.1 | ||||
| 662 | R | 40.1 | Very low | 46.9 | Very low | 228 Ų | 228 | 150.9 Ų | 150.9 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | trans | 178.1 | 116.4 | 167.4 | -105.2 | 164 | 178.7 | -172.9 | 1.1 | 108.9 | D660 | D660-R662 VanDerWaalsContact OD1-C 3.24Å; D660-R662 PolarHBondContact OD1-N 3.32Å | ||
| 663 | K | 33 | Very low | 44.3 | Very low | 170 Ų | 170 | 149.3 Ų | 149.3 | 74% | 0.739 | 77% | 0.772 | S | S | * | * | 169.9 | 130.6 | 62.7 | 171.9 | -178.3 | 171.6 | -174.1 | 0 | 113.9 | |||||
| 664 | L | 40.8 | Very low | 42.1 | Very low | 142 Ų | 142 | 155.2 Ų | 155.2 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | trans | 70.1 | 136.9 | 156.3 | -72.9 | 171.9 | 0 | 0 | 0 | 121.3 | ||||
| 665 | E | 35.7 | Very low | 40.3 | Very low | 167 Ų | 167 | 161.1 Ų | 161.1 | 78% | 0.78 | 81% | 0.805 | S | S | * | * | trans | -71.4 | 150 | 163.6 | -47.3 | 133.6 | 123.9 | 0 | 0 | 111.4 | ||||
| 666 | V | 37.3 | Very low | 39 | Very low | 147 Ų | 147 | 156.9 Ų | 156.9 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | trans | -139.6 | 119.4 | 136.8 | 179.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 667 | T | 31.1 | Very low | 38.2 | Very low | 117 Ų | 117 | 156 Ų | 156 | 72% | 0.718 | 79% | 0.791 | S | S | * | * | trans | -81.8 | 150.2 | 170.4 | 49.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 668 | Q | 29.7 | Very low | 37.6 | Very low | 197 Ų | 197 | 150.6 Ų | 150.6 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | -127.2 | 130.3 | 151.6 | -166.4 | 166 | 17.4 | 0 | 0 | 109.9 | ||||
| 669 | T | 31.1 | Very low | 37 | Very low | 112 Ų | 112 | 146.1 Ų | 146.1 | 69% | 0.687 | 78% | 0.781 | S | S | * | * | trans | -106.9 | 141.2 | -167.3 | 51.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 670 | T | 31.7 | Very low | 37 | Very low | 147 Ų | 147 | 144.5 Ų | 144.5 | 90% | 0.902 | 77% | 0.773 | S | S | * | * | trans | -144.6 | 98.8 | 142.3 | 29.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 671 | D | 32.8 | Very low | 37.4 | Very low | 144 Ų | 144 | 145.9 Ų | 145.9 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | trans | -73.6 | 172.7 | 156.9 | -148.8 | 38.1 | 0 | 0 | 0 | 107.7 | ||||
| 672 | P | 44.1 | Very low | 37.8 | Very low | 99 Ų | 99 | 141.3 Ų | 141.3 | 64% | 0.643 | 77% | 0.765 | S | S | * | * | cis | -148.5 | 168.4 | 17.3 | 46.1 | -26.6 | 0 | 0 | 0 | 120.7 | ||||
| 673 | S | 31 | Very low | 38.5 | Very low | 89 Ų | 89 | 136 Ų | 136 | 62% | 0.622 | 75% | 0.753 | S | S | * | * | 118.3 | 137.8 | 121.6 | 78 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 674 | R | 36.2 | Very low | 39.6 | Very low | 227 Ų | 227 | 132 Ų | 132 | 86% | 0.857 | 75% | 0.752 | S | S | * | * | trans | 77.9 | 109.6 | 161.2 | -47.8 | -157.3 | -179.7 | -140.5 | -4.1 | 116.1 | ||||
| 675 | Q | 31.3 | Very low | 40.5 | Very low | 162 Ų | 162 | 130.6 Ų | 130.6 | 76% | 0.757 | 74% | 0.743 | S | S | * | * | cis | 94.6 | 133.6 | 24 | -155.8 | -144.7 | -8.6 | 0 | 0 | 114.5 | ||||
| 676 | L | 33.6 | Very low | 41.6 | Very low | 117 Ų | 117 | 128.2 Ų | 128.2 | 61% | 0.613 | 74% | 0.736 | S | S | * | * | trans | 86.9 | 124.4 | 166.7 | -66.4 | 162.2 | 0 | 0 | 0 | 120.1 | ||||
| 677 | E | 37.9 | Very low | 42.7 | Very low | 176 Ų | 176 | 127.5 Ų | 127.5 | 82% | 0.822 | 73% | 0.726 | S | S | * | * | trans | 63 | 147.2 | 139.8 | -64.7 | 161.1 | 153.5 | 0 | 0 | 120.4 | ||||
| 678 | G | 39.5 | Very low | 44.2 | Very low | 81 Ų | 81 | 125.6 Ų | 125.6 | 84% | 0.835 | 72% | 0.715 | S | S | * | * | cis | 127.6 | 69.2 | -2.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 679 | G | 40.8 | Very low | 45.9 | Very low | 68 Ų | 68 | 121.1 Ų | 121.1 | 70% | 0.701 | 70% | 0.698 | S | S | * | * | trans | -166.9 | 128.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 680 | N | 49.5 | Very low | 47.7 | Very low | 143 Ų | 143 | 117.6 Ų | 117.6 | 77% | 0.765 | 68% | 0.684 | S | S | * | * | trans | 56.5 | 62.4 | 150.6 | -60.6 | -14.5 | 0 | 0 | 0 | 119.8 | A682 | N680-A682 PolarHBondContact O-N 3.48Š| ||
| 681 | L | 53.6 | Low | 49.3 | Very low | 166 Ų | 166 | 115.9 Ų | 115.9 | 87% | 0.869 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | 12.6 | 166 | -143.2 | 109.2 | 0 | 0 | 0 | 114.6 | ||
| 682 | A | 52.6 | Low | 51.3 | Low | 68 Ų | 68 | 113.9 Ų | 113.9 | 56% | 0.562 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | -12.1 | -168.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | N680 | N680-A682 PolarHBondContact O-N 3.48Š|
| 683 | L | 56.3 | Low | 52.5 | Low | 118 Ų | 118 | 115.1 Ų | 115.1 | 62% | 0.618 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -97.6 | -19.6 | -174.1 | -84.4 | 163.7 | 0 | 0 | 0 | 114.8 | I685 | L683-I685 VanDerWaalsContact C-N 3.34Å; L683-I685 PolarHBondContact O-N 3.44Å |
| 684 | A | 56.3 | Low | 54.4 | Low | 86 Ų | 86 | 115.8 Ų | 115.8 | 71% | 0.711 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -20.2 | -176 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 685 | I | 59.1 | Low | 56 | Low | 111 Ų | 111 | 110.4 Ų | 110.4 | 57% | 0.569 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | -26.6 | -171.7 | -60.2 | 174.6 | 0 | 0 | 0 | 112.4 | L683 P688 L689 | L683-I685 VanDerWaalsContact C-N 3.34Å; L683-I685 PolarHBondContact O-N 3.44Å; I685-P688 WeakPolarHBondContact O-CD 3.48Å; I685-P688 WeakPolarHBondContact O-CG 3.48Å; I685-L689 HydrophobicContact CG2-CD1 4.38Å |
| 686 | L | 58.5 | Low | 58 | Low | 118 Ų | 118 | 104.9 Ų | 104.9 | 62% | 0.618 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -81 | -28.8 | -174 | -65.7 | 176.7 | 0 | 0 | 0 | 114.1 | G690 | L686-G690 PolarHBondContact O-N 3.29Å |
| 687 | L | 60.3 | Low | 59.4 | Low | 132 Ų | 132 | 102.2 Ų | 102.2 | 69% | 0.691 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -62 | -49.3 | 178.5 | -79 | 166 | 0 | 0 | 0 | 114.4 | L689 G690 L691 | L687-L689 PolarHBondContact O-N 3.46Å; L687-G690 PolarHBondContact O-N 3.12Å; L687-L691 PolarHBondContact O-N 3.38Å |
| 688 | P | 62.4 | Low | 60.9 | Low | 76 Ų | 76 | 95.7 Ų | 95.7 | 49% | 0.494 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -65.8 | -36.3 | 178.8 | 23.9 | -33.7 | 0 | 0 | 0 | 112.9 | I685 L691 V692 | I685-P688 WeakPolarHBondContact O-CD 3.48Å; I685-P688 WeakPolarHBondContact O-CG 3.48Å; P688-L691 PolarHBondContact O-N 3.21Å; P688-V692 PolarHBondContact O-N 3.5Å |
| 689 | L | 66 | Low | 62.3 | Low | 104 Ų | 104 | 96.5 Ų | 96.5 | 55% | 0.545 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -66.4 | -38.6 | 179.9 | -72.6 | 171 | 0 | 0 | 0 | 112.7 | I685 L687 L691 I693 | I685-L689 HydrophobicContact CG2-CD1 4.38Å; L687-L689 PolarHBondContact O-N 3.46Å; L689-L691 VanDerWaalsContact C-N 3.32Å; L689-L691 PolarHBondContact O-N 3.45Å; L689-I693 WeakPolarHBondContact O-CG1 3.1Å; L689-I693 PolarHBondContact O-N 3.12Å |
| 690 | G | 67.8 | Low | 63.3 | Low | 38 Ų | 38 | 101.5 Ų | 101.5 | 39% | 0.392 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -63 | -38.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | L686 L687 I693 V694 | L686-G690 PolarHBondContact O-N 3.29Å; L687-G690 PolarHBondContact O-N 3.12Å; G690-I693 PolarHBondContact O-N 3.19Å; G690-V694 WeakPolarHBondContact O-CG2 3.39Å; G690-V694 PolarHBondContact O-N 3.44Å |
| 691 | L | 67 | Low | 63.8 | Low | 110 Ų | 110 | 100.2 Ų | 100.2 | 58% | 0.576 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -68.5 | -38.6 | -176.5 | -151.3 | 157 | 0 | 0 | 0 | 111.8 | L687 P688 L689 I693 V694 L695 | L687-L691 PolarHBondContact O-N 3.38Å; P688-L691 PolarHBondContact O-N 3.21Å; L689-L691 VanDerWaalsContact C-N 3.32Å; L689-L691 PolarHBondContact O-N 3.45Å; L691-I693 VanDerWaalsContact C-N 3.34Å; L691-I693 PolarHBondContact O-N 3.28Å; L691-V694 PolarHBondContact O-N 2.68Å; L691-L695 HydrophobicContact CD2-CD1 3.58Å; L691-L695 HydrophobicContact CD2-CG 4.04Å; L691-L695 WeakPolarHBondContact O-CG 3.17Å; L691-L695 PolarHBondContact O-N 3.02Å; L691-L695 VanDerWaalsContact O-N 3.08Å |
| 692 | V | 73.1 | Confident | 64.2 | Low | 103 Ų | 103 | 100 Ų | 100 | 62% | 0.624 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -61.1 | -40.7 | 174.3 | 174.7 | 0 | 0 | 0 | 0 | 111.9 | P688 L695 G696 | P688-V692 PolarHBondContact O-N 3.5Å; V692-L695 PolarHBondContact O-N 2.82Å; V692-G696 PolarHBondContact O-N 3.36Å |
| 693 | I | 69.2 | Low | 64.3 | Low | 125 Ų | 125 | 105.5 Ų | 105.5 | 64% | 0.641 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -69.1 | -37.5 | -179.2 | -65 | 168.8 | 0 | 0 | 0 | 111.4 | L689 G690 L691 S697 | L689-I693 WeakPolarHBondContact O-CG1 3.1Å; L689-I693 PolarHBondContact O-N 3.12Å; G690-I693 PolarHBondContact O-N 3.19Å; L691-I693 VanDerWaalsContact C-N 3.34Å; L691-I693 PolarHBondContact O-N 3.28Å; I693-S697 WeakPolarHBondContact O-CB 3.22Å; I693-S697 PolarHBondContact O-N 3.22Å; I693-S697 VanDerWaalsContact O-N 3.15Å; I693-S697 PolarHBondContact O-OG 2.75Å |
| 694 | V | 71.8 | Confident | 64.3 | Low | 103 Ų | 103 | 104.1 Ų | 104.1 | 62% | 0.624 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -68.1 | -41.7 | 176.2 | 173.9 | 0 | 0 | 0 | 0 | 111.6 | G690 L691 S697 G698 | G690-V694 WeakPolarHBondContact O-CG2 3.39Å; G690-V694 PolarHBondContact O-N 3.44Å; L691-V694 PolarHBondContact O-N 2.68Å; V694-S697 PolarHBondContact O-OG 3.43Å; V694-S697 VanDerWaalsContact O-OG 3.09Å; V694-G698 PolarHBondContact O-N 3.25Å |
| 695 | L | 70.6 | Confident | 64 | Low | 113 Ų | 113 | 108.9 Ų | 108.9 | 59% | 0.592 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -69.2 | -42.6 | 177.5 | -68.2 | 177.5 | 0 | 0 | 0 | 112.3 | L691 V692 S697 G698 V699 | L691-L695 HydrophobicContact CD2-CD1 3.58Å; L691-L695 HydrophobicContact CD2-CG 4.04Å; L691-L695 WeakPolarHBondContact O-CG 3.17Å; L691-L695 PolarHBondContact O-N 3.02Å; L691-L695 VanDerWaalsContact O-N 3.08Å; V692-L695 PolarHBondContact O-N 2.82Å; L695-S697 PolarHBondContact O-N 3.49Å; L695-G698 PolarHBondContact O-N 2.64Å; L695-V699 PolarHBondContact O-N 3.47Å |
| 696 | G | 72.3 | Confident | 63.7 | Low | 46 Ų | 46 | 109.9 Ų | 109.9 | 47% | 0.474 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -62.2 | -39.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | V692 V699 Y700 | V692-G696 PolarHBondContact O-N 3.36Å; G696-V699 PolarHBondContact O-N 2.7Å; G696-Y700 PolarHBondContact O-N 3.05Å |
| 697 | S | 62.5 | Low | 63.2 | Low | 61 Ų | 61 | 112.6 Ų | 112.6 | 43% | 0.427 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -70.6 | -32.4 | 176.8 | 49.9 | 0 | 0 | 0 | 0 | 113.2 | I693 V694 L695 Y700 I701 | I693-S697 WeakPolarHBondContact O-CB 3.22Å; I693-S697 PolarHBondContact O-N 3.22Å; I693-S697 VanDerWaalsContact O-N 3.15Å; I693-S697 PolarHBondContact O-OG 2.75Å; V694-S697 PolarHBondContact O-OG 3.43Å; V694-S697 VanDerWaalsContact O-OG 3.09Å; L695-S697 PolarHBondContact O-N 3.49Å; S697-Y700 PolarHBondContact O-N 3.41Å; S697-I701 WeakPolarHBondContact O-CG1 3.45Å; S697-I701 PolarHBondContact O-N 3.05Å |
| 698 | G | 69.1 | Low | 62.7 | Low | 40 Ų | 40 | 109.8 Ų | 109.8 | 41% | 0.412 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -61.4 | -45.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | V694 L695 Y700 I701 Y702 | V694-G698 PolarHBondContact O-N 3.25Å; L695-G698 PolarHBondContact O-N 2.64Å; G698-Y700 PolarHBondContact O-N 3.15Å; G698-I701 PolarHBondContact O-N 3.25Å; G698-Y702 PolarHBondContact O-N 3.12Å; G698-Y702 VanDerWaalsContact O-N 3.12Å |
| 699 | V | 70.1 | Confident | 61.7 | Low | 97 Ų | 97 | 116.3 Ų | 116.3 | 59% | 0.588 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -63.8 | -40.2 | 178.4 | 176.2 | 0 | 0 | 0 | 0 | 111.7 | L695 G696 I701 Y702 Y703 | L695-V699 PolarHBondContact O-N 3.47Å; G696-V699 PolarHBondContact O-N 2.7Å; V699-I701 PolarHBondContact O-N 3.16Å; V699-Y702 PolarHBondContact O-N 3.46Å; V699-Y703 PolarHBondContact O-N 3.47Å |
| 700 | Y | 61.5 | Low | 60.2 | Low | 173 Ų | 173 | 116.9 Ų | 116.9 | 68% | 0.678 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -63.9 | -38 | 178.2 | -169.8 | -99.4 | 0 | 0 | 0 | 112.8 | G696 S697 G698 T704 | G696-Y700 PolarHBondContact O-N 3.05Å; S697-Y700 PolarHBondContact O-N 3.41Å; G698-Y700 PolarHBondContact O-N 3.15Å; Y700-T704 HydrophobicContact CD1-CG2 4.5Å; Y700-T704 HydrophobicContact CE1-CG2 4.2Å; Y700-T704 WeakPolarHBondContact O-CG2 3.41Å; Y700-T704 PolarHBondContact O-N 3.09Å; Y700-T704 VanDerWaalsContact O-N 3.15Å; Y700-T704 PolarHBondContact O-OG1 2.77Å |
| 701 | I | 60.1 | Low | 59 | Low | 116 Ų | 116 | 122.4 Ų | 122.4 | 60% | 0.595 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -71.1 | -32.8 | 176.3 | -67.9 | 169.7 | 0 | 0 | 0 | 111.7 | S697 G698 V699 T704 | S697-I701 WeakPolarHBondContact O-CG1 3.45Å; S697-I701 PolarHBondContact O-N 3.05Å; G698-I701 PolarHBondContact O-N 3.25Å; V699-I701 PolarHBondContact O-N 3.16Å; I701-T704 WeakPolarHBondContact CA-OG1 3.49Å; I701-T704 PolarHBondContact O-OG1 3.35Å |
| 702 | Y | 61.6 | Low | 57.5 | Low | 162 Ų | 162 | 127.5 Ų | 127.5 | 64% | 0.635 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -66.5 | -49.1 | 173.9 | -173.5 | -99.3 | 0 | 0 | 0 | 111.6 | G698 V699 T704 K705 | G698-Y702 PolarHBondContact O-N 3.12Å; G698-Y702 VanDerWaalsContact O-N 3.12Å; V699-Y702 PolarHBondContact O-N 3.46Å; Y702-T704 PolarHBondContact O-N 3.35Å; Y702-K705 PolarHBondContact O-N 3.21Å; Y702-K705 VanDerWaalsContact O-N 3.16Å |
| 703 | Y | 54.9 | Low | 55.5 | Low | 183 Ų | 183 | 126.1 Ų | 126.1 | 72% | 0.718 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -62.4 | -40.6 | -178.7 | -132.9 | -86.7 | 0 | 0 | 0 | 112.7 | V699 K705 L706 | V699-Y703 PolarHBondContact O-N 3.47Å; Y703-K705 PolarHBondContact O-N 3.47Å; Y703-L706 PolarHBondContact O-N 3.24Å |
| 704 | T | 55.9 | Low | 53.6 | Low | 89 Ų | 89 | 129.6 Ų | 129.6 | 55% | 0.546 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -73 | -6.6 | 179.1 | 48.5 | 0 | 0 | 0 | 0 | 114.3 | Y700 I701 Y702 | Y700-T704 HydrophobicContact CD1-CG2 4.5Å; Y700-T704 HydrophobicContact CE1-CG2 4.2Å; Y700-T704 WeakPolarHBondContact O-CG2 3.41Å; Y700-T704 PolarHBondContact O-N 3.09Å; Y700-T704 VanDerWaalsContact O-N 3.15Å; Y700-T704 PolarHBondContact O-OG1 2.77Å; I701-T704 WeakPolarHBondContact CA-OG1 3.49Å; I701-T704 PolarHBondContact O-OG1 3.35Å; Y702-T704 PolarHBondContact O-N 3.35Å |
| 705 | K | 50.9 | Low | 51.7 | Low | 186 Ų | 186 | 130.6 Ų | 130.6 | 81% | 0.809 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -100.5 | -10 | 175.6 | -132.4 | -167.8 | -177.8 | -167.3 | 0 | 115 | Y702 Y703 | Y702-K705 PolarHBondContact O-N 3.21Å; Y702-K705 VanDerWaalsContact O-N 3.16Å; Y703-K705 PolarHBondContact O-N 3.47Å |
| 706 | L | 52.7 | Low | 49.9 | Very low | 132 Ų | 132 | 128.3 Ų | 128.3 | 69% | 0.691 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -90.4 | -24.9 | -178.7 | -122.6 | 79.2 | 0 | 0 | 0 | 114.2 | Y703 | Y703-L706 PolarHBondContact O-N 3.24Å |
| 707 | Q | 47.5 | Very low | 47.9 | Very low | 176 Ų | 176 | 131.1 Ų | 131.1 | 82% | 0.822 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -105.4 | 86.5 | 175.7 | -70 | -156.7 | -8.4 | 0 | 0 | 111.9 | K709 | Q707-K709 PolarHBondContact O-N 3.36Š|
| 708 | G | 49.6 | Very low | 46.4 | Very low | 73 Ų | 73 | 136.6 Ų | 136.6 | 75% | 0.753 | 74% | 0.736 | S | S | * | * | trans | -80.1 | 105.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 709 | K | 40.7 | Very low | 44.5 | Very low | 213 Ų | 213 | 139.4 Ų | 139.4 | 93% | 0.926 | 75% | 0.749 | S | S | * | * | trans | -158.5 | 148.5 | 147.6 | -113 | 157.8 | -170.9 | 173 | 0 | 112.9 | Q707 | Q707-K709 PolarHBondContact O-N 3.36Š| ||
| 710 | S | 35.5 | Very low | 42.5 | Very low | 115 Ų | 115 | 145.4 Ų | 145.4 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -85 | 152.5 | -175.6 | -171.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 711 | L | 42.7 | Very low | 41.3 | Very low | 154 Ų | 154 | 141.6 Ų | 141.6 | 81% | 0.806 | 76% | 0.762 | S | S | * | * | trans | -69 | 146.9 | 158.5 | -69 | 159.1 | 0 | 0 | 0 | 110.5 | ||||
| 712 | F | 35.8 | Very low | 41.1 | Very low | 217 Ų | 217 | 141.1 Ų | 141.1 | 95% | 0.952 | 77% | 0.766 | S | S | * | * | trans | 134.5 | 130.5 | 158.7 | -85.8 | -69 | 0 | 0 | 0 | 113.1 | ||||
| 713 | G | 29.9 | Very low | 39.8 | Very low | 74 Ų | 74 | 140.3 Ų | 140.3 | 76% | 0.763 | 77% | 0.771 | S | S | * | * | trans | 150.8 | 136.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 714 | F | 30 | Very low | 38.8 | Very low | 199 Ų | 199 | 136.2 Ų | 136.2 | 87% | 0.873 | 77% | 0.766 | S | S | * | * | trans | -123.3 | 150.5 | -176.4 | -97.3 | -94.5 | 0 | 0 | 0 | 112.1 | ||||
| 715 | S | 32 | Very low | 37.5 | Very low | 123 Ų | 123 | 138.6 Ų | 138.6 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | trans | 62.5 | 154 | 150.3 | 65.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 716 | G | 31.6 | Very low | 36.6 | Very low | 65 Ų | 65 | 136.8 Ų | 136.8 | 67% | 0.67 | 77% | 0.774 | S | S | * | * | trans | 173.6 | -17.9 | 158.5 | 0 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 717 | S | 31.7 | Very low | 36 | Very low | 105 Ų | 105 | 135 Ų | 135 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | trans | 58.4 | 165.1 | 167.3 | 59.5 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 718 | H | 30.5 | Very low | 35.3 | Very low | 176 Ų | 176 | 132.5 Ų | 132.5 | 82% | 0.815 | 77% | 0.765 | S | S | * | * | trans | 70.4 | 131 | 175.4 | -58 | -83.8 | 0 | 0 | 0 | 117.1 | ||||
| 719 | S | 29.7 | Very low | 34.4 | Very low | 100 Ų | 100 | 137.8 Ų | 137.8 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | cis | 92.8 | 90.1 | 14.5 | -163.1 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 720 | Y | 28.7 | Very low | 34 | Very low | 222 Ų | 222 | 133 Ų | 133 | 87% | 0.871 | 76% | 0.761 | S | S | * | * | -159.6 | 173.5 | 116.6 | -130.5 | -100.5 | 0 | 0 | 0 | 111.5 | |||||
| 721 | S | 36.2 | Very low | 33.9 | Very low | 93 Ų | 93 | 134.4 Ų | 134.4 | 65% | 0.65 | 76% | 0.759 | S | S | * | * | trans | -129.6 | -165.7 | -175.9 | 65.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 722 | P | 55.7 | Low | 34 | Very low | 106 Ų | 106 | 132.2 Ų | 132.2 | 69% | 0.688 | 76% | 0.755 | S | S | * | * | cis | -129.6 | -166 | -19.6 | 31.5 | -10 | 0 | 0 | 0 | 111.9 | ||||
| 723 | I | 33.8 | Very low | 33.7 | Very low | 146 Ų | 146 | 128.6 Ų | 128.6 | 75% | 0.749 | 74% | 0.744 | S | S | * | * | 172.4 | 132.8 | 118.3 | -89.2 | 166.1 | 0 | 0 | 0 | 112.8 | |||||
| 724 | T | 32.7 | Very low | 33.8 | Very low | 97 Ų | 97 | 136.4 Ų | 136.4 | 60% | 0.595 | 75% | 0.752 | S | S | * | * | trans | 2.5 | 150.3 | 160.3 | 65.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 725 | V | 30.6 | Very low | 33.9 | Very low | 139 Ų | 139 | 135.6 Ų | 135.6 | 84% | 0.842 | 75% | 0.752 | S | S | * | * | -133.7 | 144.5 | 55 | -176.2 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 726 | E | 31.2 | Very low | 34 | Very low | 147 Ų | 147 | 135 Ų | 135 | 69% | 0.687 | 75% | 0.753 | S | S | * | * | trans | -62.1 | 168.6 | 177.2 | -84.1 | 78.1 | 175.9 | 0 | 0 | 117.1 | ||||
| 727 | S | 40 | Very low | 33.9 | Very low | 96 Ų | 96 | 135.4 Ų | 135.4 | 67% | 0.671 | 76% | 0.758 | S | S | * | * | trans | -73 | 177.3 | 163.9 | 51.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 728 | D | 33.1 | Very low | 33.8 | Very low | 123 Ų | 123 | 137 Ų | 137 | 66% | 0.658 | 76% | 0.759 | S | S | * | * | -178.6 | 143.3 | 111.6 | -95.4 | 4.2 | 0 | 0 | 0 | 115.3 | |||||
| 729 | F | 30.8 | Very low | 33.9 | Very low | 184 Ų | 184 | 134.3 Ų | 134.3 | 81% | 0.807 | 76% | 0.755 | S | S | * | * | trans | 45.2 | 153.6 | 146.8 | -71.9 | -107.8 | 0 | 0 | 0 | 120.7 | ||||
| 730 | S | 31.7 | Very low | 33.9 | Very low | 113 Ų | 113 | 140.6 Ų | 140.6 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | cis | -147.1 | 167.9 | 21.4 | -50.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 731 | N | 34 | Very low | 34.3 | Very low | 143 Ų | 143 | 138.1 Ų | 138.1 | 77% | 0.765 | 76% | 0.759 | S | S | * | * | trans | -127.2 | 138.3 | 170.4 | 177.2 | 51.9 | 0 | 0 | 0 | 110.8 | ||||
| 732 | P | 43.5 | Very low | 34 | Very low | 109 Ų | 109 | 144.9 Ų | 144.9 | 71% | 0.708 | 77% | 0.772 | S | S | * | * | trans | -106 | 118.5 | 160.7 | 33.9 | -23.7 | 0 | 0 | 0 | 110.7 | ||||
| 733 | L | 31.4 | Very low | 32.9 | Very low | 141 Ų | 141 | 148 Ų | 148 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | 55.9 | 109.7 | 80.8 | -86 | 162.7 | 0 | 0 | 0 | 114.4 | |||||
| 734 | Y | 31.2 | Very low | 32.9 | Very low | 237 Ų | 237 | 147.9 Ų | 147.9 | 93% | 0.929 | 78% | 0.783 | S | S | * | * | trans | -138.2 | 141.2 | 150.1 | -116.3 | -89.2 | 0 | 0 | 0 | 108.6 | ||||
| 735 | E | 31.8 | Very low | 32.9 | Very low | 183 Ų | 183 | 147.5 Ų | 147.5 | 86% | 0.855 | 79% | 0.785 | S | S | * | * | trans | -92.5 | 170.2 | -171.4 | -65.7 | -176.6 | 110.5 | 0 | 0 | 113.3 | ||||
| 736 | A | 34.1 | Very low | 33.4 | Very low | 109 Ų | 109 | 152.1 Ų | 152.1 | 90% | 0.901 | 80% | 0.803 | S | S | * | * | trans | -75.2 | 149.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 737 | G | 30.2 | Very low | 33.5 | Very low | 75 Ų | 75 | 152.4 Ų | 152.4 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | -148 | 59 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 738 | D | 28.7 | Very low | 33.2 | Very low | 138 Ų | 138 | 155.4 Ų | 155.4 | 74% | 0.738 | 82% | 0.816 | S | S | * | * | trans | 67.2 | 152.2 | 166.2 | -156.1 | 18.7 | 0 | 0 | 0 | 118.5 | ||||
| 739 | T | 32.6 | Very low | 33.2 | Very low | 120 Ų | 120 | 157.2 Ų | 157.2 | 74% | 0.736 | 82% | 0.824 | S | S | * | * | trans | -117.9 | 136.7 | -174 | 48.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 740 | R | 30.4 | Very low | 33.3 | Very low | 232 Ų | 232 | 155.6 Ų | 155.6 | 88% | 0.875 | 83% | 0.825 | S | S | * | * | trans | -136.5 | 115 | 158 | -66.5 | -168.2 | -177.4 | -164.1 | -0.9 | 111.2 | ||||
| 741 | E | 36.1 | Very low | 33.4 | Very low | 169 Ų | 169 | 158.3 Ų | 158.3 | 79% | 0.79 | 83% | 0.828 | S | S | * | * | trans | -65.3 | 150.3 | 165.5 | -56.2 | 166.4 | 134.7 | 0 | 0 | 109.5 | ||||
| 742 | Y | 31.3 | Very low | 33.4 | Very low | 236 Ų | 236 | 159.3 Ų | 159.3 | 93% | 0.925 | 83% | 0.832 | S | S | * | * | -155.2 | 122.8 | 124.7 | -89.1 | -56.1 | 0 | 0 | 0 | 110.7 | |||||
| 743 | E | 31.7 | Very low | 32.7 | Very low | 170 Ų | 170 | 162.9 Ų | 162.9 | 79% | 0.794 | 84% | 0.841 | S | S | * | * | trans | -69.9 | 137.5 | 170.7 | 164.2 | -169.4 | -132.4 | 0 | 0 | 111.4 | ||||
| 744 | V | 33.2 | Very low | 32.8 | Very low | 144 Ų | 144 | 164.5 Ų | 164.5 | 87% | 0.873 | 85% | 0.848 | S | S | * | * | trans | -144.3 | 120.3 | 148.9 | 178.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 745 | S | 33.2 | Very low | 32.9 | Very low | 90 Ų | 90 | 158.5 Ų | 158.5 | 63% | 0.629 | 84% | 0.842 | S | S | * | * | trans | -77.3 | 164.9 | 170.3 | 41.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 746 | I | 41.6 | Very low | 33 | Very low | 236 Ų | 236 | 156.3 Ų | 156.3 | 100% | 1.21 | 84% | 0.841 | S | S | * | * | cis | -140.5 | 0 | 39.8 | -62.2 | 166 | 0 | 0 | 0 | 110.4 |
Retrieved 746 of 746 residues in 909.1 ms
(Link to these results)