| 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 | 43 | Very low | 45.6 | Very low | 237 Ų | 237 | 133.1 Ų | 133.1 | 100% | 1.167 | 79% | 0.792 | S | S | * | * | 0 | 112.5 | 0 | -70.4 | 159.9 | 174.5 | 0 | 0 | 106.1 | |||||
| 2 | A | 40.4 | Very low | 45.5 | Very low | 97 Ų | 97 | 129.6 Ų | 129.6 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | cis | 61.9 | 137.3 | 19.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 3 | A | 43.9 | Very low | 45.7 | Very low | 67 Ų | 67 | 133.5 Ų | 133.5 | 55% | 0.554 | 80% | 0.801 | S | S | * | * | cis | -170 | 174.8 | -12.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 4 | F | 43.8 | Very low | 45.5 | Very low | 195 Ų | 195 | 128.4 Ų | 128.4 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | trans | 69.1 | 137.8 | 171.2 | -45.6 | -73.2 | 0 | 0 | 0 | 115.3 | ||||
| 5 | A | 49.3 | Very low | 45.7 | Very low | 96 Ų | 96 | 126.9 Ų | 126.9 | 79% | 0.793 | 79% | 0.786 | S | S | * | * | cis | 89.7 | 114.9 | 22.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 6 | V | 51.6 | Low | 46.1 | Very low | 141 Ų | 141 | 130.4 Ų | 130.4 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | trans | -151.8 | 122.4 | 155.8 | 61.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 7 | E | 43 | Very low | 46.8 | Very low | 172 Ų | 172 | 129.4 Ų | 129.4 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -120.8 | 155.7 | 147.9 | -135.9 | -152.1 | 69 | 0 | 0 | 104.1 | ||||
| 8 | P | 54.9 | Low | 47 | Very low | 94 Ų | 94 | 130.9 Ų | 130.9 | 61% | 0.61 | 79% | 0.787 | S | S | * | * | -136.8 | -157.5 | 58.9 | 38.3 | -16.1 | 0 | 0 | 0 | 111 | |||||
| 9 | Q | 38.7 | Very low | 47.1 | Very low | 171 Ų | 171 | 133.5 Ų | 133.5 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | cis | -158.8 | 162.3 | 8 | -153.7 | 168.3 | -34.1 | 0 | 0 | 111.4 | ||||
| 10 | G | 42.5 | Very low | 47.3 | Very low | 57 Ų | 57 | 134.3 Ų | 134.3 | 59% | 0.588 | 79% | 0.791 | S | S | * | * | trans | -81.5 | -163.2 | 155.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 11 | P | 50.6 | Low | 47.1 | Very low | 137 Ų | 137 | 131.9 Ų | 131.9 | 89% | 0.89 | 80% | 0.795 | S | S | * | * | cis | -130 | -155.4 | 25.2 | 42.4 | -24.9 | 0 | 0 | 0 | 113.8 | ||||
| 12 | A | 44.3 | Very low | 47.1 | Very low | 91 Ų | 91 | 124.7 Ų | 124.7 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | trans | -115.7 | -167.9 | -166.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 13 | L | 47.5 | Very low | 47.7 | Very low | 180 Ų | 180 | 126.1 Ų | 126.1 | 94% | 0.942 | 77% | 0.769 | S | S | * | * | trans | 85.9 | 148.4 | 167.9 | -122.8 | 72.3 | 0 | 0 | 0 | 117.7 | ||||
| 14 | G | 42.7 | Very low | 48 | Very low | 62 Ų | 62 | 129.2 Ų | 129.2 | 64% | 0.639 | 78% | 0.781 | S | S | * | * | trans | 129.1 | 55.1 | -168.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 15 | S | 49.3 | Very low | 48.2 | Very low | 106 Ų | 106 | 125.4 Ų | 125.4 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | 45.6 | 108.4 | 78.1 | 75 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 16 | E | 51.4 | Low | 48.2 | Very low | 184 Ų | 184 | 126.1 Ų | 126.1 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | trans | -64 | 136.3 | 179.1 | -173.6 | -172.5 | 146.6 | 0 | 0 | 113.2 | ||||
| 17 | P | 58.4 | Low | 48.1 | Very low | 113 Ų | 113 | 128.9 Ų | 128.9 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | -115.8 | 133.7 | 159.7 | 35.1 | -24.5 | 0 | 0 | 0 | 112.1 | ||||
| 18 | M | 50.3 | Low | 48.3 | Very low | 157 Ų | 157 | 126.5 Ų | 126.5 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | -61.3 | 141.3 | 173.5 | -60.5 | -176.7 | -68.5 | 0 | 0 | 112 | ||||
| 19 | M | 49.7 | Very low | 47.7 | Very low | 180 Ų | 180 | 124.6 Ų | 124.6 | 89% | 0.887 | 77% | 0.773 | S | S | * | * | trans | -139.2 | 130.5 | 155.7 | -90.2 | -66.2 | 104.7 | 0 | 0 | 111.2 | G21 | M19-G21 PolarHBondContact O-N 3.17Š| ||
| 20 | L | 50.7 | Low | 48.5 | Very low | 149 Ų | 149 | 122.8 Ų | 122.8 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | trans | -72.7 | 118 | 179.5 | -96.2 | 62.3 | 0 | 0 | 0 | 111.1 | S22 | L20-S22 VanDerWaalsContact C-N 3.31Å; L20-S22 PolarHBondContact O-N 3.27Å; L20-S22 VanDerWaalsContact O-N 3.14Å | ||
| 21 | G | 42.4 | Very low | 49 | Very low | 84 Ų | 84 | 127.3 Ų | 127.3 | 87% | 0.866 | 78% | 0.784 | S | S | * | * | trans | -81.8 | 68.2 | 166 | 0 | 0 | 0 | 0 | 0 | 112.3 | M19 | M19-G21 PolarHBondContact O-N 3.17Š| ||
| 22 | S | 44.1 | Very low | 49 | Very low | 85 Ų | 85 | 124.4 Ų | 124.4 | 59% | 0.594 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 128.1 | 175.4 | -60.3 | 0 | 0 | 0 | 0 | 111.4 | L20 | L20-S22 VanDerWaalsContact C-N 3.31Å; L20-S22 PolarHBondContact O-N 3.27Å; L20-S22 VanDerWaalsContact O-N 3.14Å |
| 23 | P | 53.6 | Low | 49.8 | Very low | 128 Ų | 128 | 129 Ų | 129 | 83% | 0.831 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 138 | 171.9 | 28.1 | -33.6 | 0 | 0 | 0 | 110.4 | ||
| 24 | T | 49.2 | Very low | 50.2 | Low | 132 Ų | 132 | 129.6 Ų | 129.6 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -77 | 138.1 | -173 | 54.9 | 0 | 0 | 0 | 0 | 111.9 | P26 | T24-P26 WeakPolarHBondContact O-CD 3.41Š|
| 25 | S | 47 | Very low | 51.1 | Low | 114 Ų | 114 | 132.2 Ų | 132.2 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 125.9 | 179.3 | -178.5 | 0 | 0 | 0 | 0 | 111.4 | K27 | S25-K27 PolarHBondContact O-N 3.26Š|
| 26 | P | 51.3 | Low | 51.8 | Low | 112 Ų | 112 | 130.8 Ų | 130.8 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -67 | 127.2 | 170.2 | -20.1 | 33.6 | 0 | 0 | 0 | 111 | T24 | T24-P26 WeakPolarHBondContact O-CD 3.41Š|
| 27 | K | 49.2 | Very low | 52.1 | Low | 198 Ų | 198 | 124 Ų | 124 | 86% | 0.861 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 127.1 | 176.8 | -161.2 | -176.5 | -169.2 | 74.5 | 0 | 109.6 | S25 G29 | S25-K27 PolarHBondContact O-N 3.26Å; K27-G29 PolarHBondContact O-N 2.95Å; K27-G29 VanDerWaalsContact O-N 3.09Å |
| 28 | P | 46.4 | Very low | 52.2 | Low | 123 Ų | 123 | 127.6 Ų | 127.6 | 80% | 0.799 | 74% | 0.744 | S | S | * | * | trans | -60.1 | 115.9 | -177.3 | -27.1 | 35.6 | 0 | 0 | 0 | 112.7 | ||||
| 29 | G | 42.3 | Very low | 52.7 | Low | 54 Ų | 54 | 126.8 Ų | 126.8 | 56% | 0.557 | 74% | 0.741 | S | S | * | * | trans | -71.3 | 140.5 | 161.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | K27 | K27-G29 PolarHBondContact O-N 2.95Å; K27-G29 VanDerWaalsContact O-N 3.09Å | ||
| 30 | V | 56.1 | Low | 53.1 | Low | 133 Ų | 133 | 125.4 Ų | 125.4 | 81% | 0.806 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.9 | 144.8 | 167.7 | -178.1 | 0 | 0 | 0 | 0 | 108.7 | ||
| 31 | N | 53 | Low | 53.5 | Low | 151 Ų | 151 | 121.1 Ų | 121.1 | 81% | 0.807 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 90.5 | 6.9 | -179.8 | -45.2 | -45.8 | 0 | 0 | 0 | 118.8 | Q33 | N31-Q33 PolarHBondContact O-N 3.19Š|
| 32 | A | 51 | Low | 54.2 | Low | 77 Ų | 77 | 123.6 Ų | 123.6 | 64% | 0.636 | 72% | 0.72 | S | S | * | * | trans | -77 | 71.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | F34 | A32-F34 VanDerWaalsContact C-N 3.33Å; A32-F34 PolarHBondContact O-N 3.37Å | ||
| 33 | Q | 60.6 | Low | 54.8 | Low | 188 Ų | 188 | 126.6 Ų | 126.6 | 88% | 0.879 | 73% | 0.728 | S | S | * | * | trans | -75.5 | 75.8 | 173.7 | -71.9 | -167.2 | -10.7 | 0 | 0 | 112.6 | N31 | N31-Q33 PolarHBondContact O-N 3.19Š| ||
| 34 | F | 56.5 | Low | 54.8 | Low | 191 Ų | 191 | 126.1 Ų | 126.1 | 84% | 0.838 | 73% | 0.725 | S | S | * | * | trans | -125.3 | 15.2 | 178 | -70.6 | -77.5 | 0 | 0 | 0 | 114.6 | A32 | A32-F34 VanDerWaalsContact C-N 3.33Å; A32-F34 PolarHBondContact O-N 3.37Å | ||
| 35 | L | 60.4 | Low | 54.6 | Low | 117 Ų | 117 | 123.7 Ų | 123.7 | 61% | 0.613 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -120.5 | 119.6 | 168.9 | -81.3 | 165.9 | 0 | 0 | 0 | 109 | L39 | L35-L39 HydrophobicContact CD2-CD2 3.81Š|
| 36 | P | 64.4 | Low | 54.4 | Low | 76 Ų | 76 | 123.9 Ų | 123.9 | 49% | 0.494 | 72% | 0.718 | S | S | . | * | trans | -70.3 | 140.4 | 174.9 | 30.1 | -33.9 | 0 | 0 | 0 | 110.2 | F38 L39 | P36-F38 HydrophobicContact CB-CD2 3.71Å; P36-F38 HydrophobicContact CB-CE2 3.67Å; P36-F38 HydrophobicContact CB-CG 4.49Å; P36-F38 HydrophobicContact CB-CZ 4.41Å; P36-F38 HydrophobicContact CG-CD2 4.07Å; P36-F38 HydrophobicContact CG-CE2 4.33Å; P36-F38 PolarHBondContact O-N 2.93Å; P36-L39 PolarHBondContact O-N 3.06Å; P36-L39 VanDerWaalsContact O-N 3.14Å | ||
| 37 | G | 58.6 | Low | 53.9 | Low | 42 Ų | 42 | 125.6 Ų | 125.6 | 43% | 0.433 | 73% | 0.725 | S | S | . | * | G | 310 helix | trans | -56.4 | -21.4 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | L39 M40 | G37-L39 PolarHBondContact O-N 3.14Å; G37-M40 PolarHBondContact O-N 2.93Å |
| 38 | F | 59.7 | Low | 53.8 | Low | 189 Ų | 189 | 122 Ų | 122 | 83% | 0.829 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -53.8 | -27.1 | 175.8 | -30.9 | -49.6 | 0 | 0 | 0 | 113.4 | P36 | P36-F38 HydrophobicContact CB-CD2 3.71Å; P36-F38 HydrophobicContact CB-CE2 3.67Å; P36-F38 HydrophobicContact CB-CG 4.49Å; P36-F38 HydrophobicContact CB-CZ 4.41Å; P36-F38 HydrophobicContact CG-CD2 4.07Å; P36-F38 HydrophobicContact CG-CE2 4.33Å; P36-F38 PolarHBondContact O-N 2.93Å |
| 39 | L | 61.3 | Low | 53.9 | Low | 139 Ų | 139 | 121.2 Ų | 121.2 | 73% | 0.728 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -85.4 | -17.1 | 178.4 | -152.4 | 79.5 | 0 | 0 | 0 | 113.7 | L35 P36 G37 | L35-L39 HydrophobicContact CD2-CD2 3.81Å; P36-L39 PolarHBondContact O-N 3.06Å; P36-L39 VanDerWaalsContact O-N 3.14Å; G37-L39 PolarHBondContact O-N 3.14Å |
| 40 | M | 57.9 | Low | 53.4 | Low | 152 Ų | 152 | 126.9 Ų | 126.9 | 75% | 0.749 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | 1.3 | -176 | -152.7 | 73.3 | 80.3 | 0 | 0 | 113.1 | G37 | G37-M40 PolarHBondContact O-N 2.93Š|
| 41 | G | 58.9 | Low | 53.2 | Low | 59 Ų | 59 | 125.8 Ų | 125.8 | 61% | 0.608 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 81.2 | 6.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | L43 | G41-L43 VanDerWaalsContact C-N 3.28Å; G41-L43 PolarHBondContact O-N 3.17Å |
| 42 | D | 55.7 | Low | 52.7 | Low | 135 Ų | 135 | 129 Ų | 129 | 72% | 0.722 | 72% | 0.724 | S | S | * | * | trans | -77.4 | 80 | 172.9 | -169.7 | 22.8 | 0 | 0 | 0 | 110.6 | ||||
| 43 | L | 58 | Low | 52 | Low | 148 Ų | 148 | 130.1 Ų | 130.1 | 78% | 0.775 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 118.6 | 170.5 | -76.3 | 164.9 | 0 | 0 | 0 | 109 | G41 A45 | G41-L43 VanDerWaalsContact C-N 3.28Å; G41-L43 PolarHBondContact O-N 3.17Å; L43-A45 PolarHBondContact O-N 3.04Å |
| 44 | P | 53.3 | Low | 50.9 | Low | 118 Ų | 118 | 128.9 Ų | 128.9 | 77% | 0.766 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 128.6 | 165.4 | 25.4 | -32.6 | 0 | 0 | 0 | 109.2 | ||
| 45 | A | 45.7 | Very low | 49.8 | Very low | 82 Ų | 82 | 125.2 Ų | 125.2 | 68% | 0.678 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 149.2 | -168.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L43 V47 | L43-A45 PolarHBondContact O-N 3.04Å; A45-V47 PolarHBondContact O-N 3.01Å |
| 46 | P | 41.9 | Very low | 48.6 | Very low | 118 Ų | 118 | 122.9 Ų | 122.9 | 77% | 0.766 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -71 | 117.2 | -168.1 | 27.5 | -35.7 | 0 | 0 | 0 | 113.5 | T48 | P46-T48 PolarHBondContact O-N 3Å; P46-T48 VanDerWaalsContact O-N 3.17Å |
| 47 | V | 40.2 | Very low | 47.9 | Very low | 147 Ų | 147 | 125.4 Ų | 125.4 | 89% | 0.891 | 74% | 0.743 | S | S | * | * | trans | -82.7 | 88 | 174.1 | -75.1 | 0 | 0 | 0 | 0 | 112.3 | A45 | A45-V47 PolarHBondContact O-N 3.01Š| ||
| 48 | T | 47.6 | Very low | 47 | Very low | 122 Ų | 122 | 127.8 Ų | 127.8 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | trans | -143.1 | 162.9 | 164.5 | 60.5 | 0 | 0 | 0 | 0 | 109.1 | P46 | P46-T48 PolarHBondContact O-N 3Å; P46-T48 VanDerWaalsContact O-N 3.17Å | ||
| 49 | P | 48.7 | Very low | 45.8 | Very low | 107 Ų | 107 | 125.9 Ų | 125.9 | 70% | 0.695 | 76% | 0.757 | S | S | * | * | cis | -124.7 | 169.5 | -7.4 | 40.4 | -27.7 | 0 | 0 | 0 | 113.5 | ||||
| 50 | Q | 32.4 | Very low | 44.6 | Very low | 173 Ų | 173 | 122.2 Ų | 122.2 | 81% | 0.808 | 75% | 0.753 | S | S | * | * | trans | -152.5 | 113.1 | 150.3 | -93.4 | -125.7 | -4.5 | 0 | 0 | 112.7 | ||||
| 51 | P | 51.9 | Low | 43.6 | Very low | 111 Ų | 111 | 121.6 Ų | 121.6 | 72% | 0.721 | 76% | 0.757 | S | S | * | * | trans | -114.1 | 127.8 | 160.9 | 34.9 | -24.5 | 0 | 0 | 0 | 111.7 | ||||
| 52 | R | 41.3 | Very low | 42.8 | Very low | 218 Ų | 218 | 127.4 Ų | 127.4 | 82% | 0.823 | 77% | 0.77 | S | S | * | * | trans | -165.9 | 151.7 | 162.4 | -96 | 178.1 | -145.6 | 162.6 | 6.7 | 108.9 | ||||
| 53 | S | 36.3 | Very low | 41.7 | Very low | 100 Ų | 100 | 128.8 Ų | 128.8 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | cis | -179.9 | 157.2 | -28.9 | -100.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 54 | I | 37.7 | Very low | 41 | Very low | 162 Ų | 162 | 128.6 Ų | 128.6 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | trans | 148 | 127.6 | 139.1 | -76.6 | 157.3 | 0 | 0 | 0 | 111.3 | ||||
| 55 | S | 33.7 | Very low | 40.1 | Very low | 114 Ų | 114 | 133 Ų | 133 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | trans | 12.7 | 138 | 161.1 | -49 | 0 | 0 | 0 | 0 | 121 | ||||
| 56 | G | 34.7 | Very low | 39.8 | Very low | 68 Ų | 68 | 134.4 Ų | 134.4 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | cis | 104 | 172.8 | 16.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 57 | P | 51.1 | Low | 40.1 | Very low | 129 Ų | 129 | 134.8 Ų | 134.8 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | cis | -105.8 | -136.4 | -8.5 | 36.6 | -18.7 | 0 | 0 | 0 | 109.7 | ||||
| 58 | S | 37.9 | Very low | 40 | Very low | 92 Ų | 92 | 135.3 Ų | 135.3 | 64% | 0.643 | 78% | 0.775 | S | S | * | * | cis | -167.2 | 142.8 | -4.7 | 39 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 59 | V | 35.8 | Very low | 39.5 | Very low | 150 Ų | 150 | 137.5 Ų | 137.5 | 91% | 0.909 | 78% | 0.781 | S | S | * | * | trans | 63.2 | 138.7 | 166.4 | -174.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 60 | G | 35.2 | Very low | 38.8 | Very low | 62 Ų | 62 | 137.2 Ų | 137.2 | 64% | 0.639 | 79% | 0.788 | S | S | * | * | cis | 163.3 | 168.6 | -8.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 61 | V | 37.6 | Very low | 38.8 | Very low | 138 Ų | 138 | 133.2 Ų | 133.2 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | trans | 52.8 | 111.3 | 158.9 | -166.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 62 | M | 41.4 | Very low | 37.9 | Very low | 181 Ų | 181 | 131.9 Ų | 131.9 | 89% | 0.892 | 80% | 0.8 | S | S | * | * | trans | 7.3 | 153.3 | 135.6 | -50.1 | 173.9 | -171.7 | 0 | 0 | 122.8 | ||||
| 63 | E | 33 | Very low | 37.6 | Very low | 165 Ų | 165 | 127.2 Ų | 127.2 | 77% | 0.771 | 80% | 0.801 | S | S | * | * | trans | 95.8 | -176.8 | 143.8 | -127.7 | -142.3 | 100.1 | 0 | 0 | 120.9 | ||||
| 64 | M | 42.8 | Very low | 37.9 | Very low | 144 Ų | 144 | 128.3 Ų | 128.3 | 71% | 0.709 | 81% | 0.805 | S | S | * | * | trans | -99.7 | 176.7 | -152.2 | -71.8 | -174.3 | 158 | 0 | 0 | 115.1 | ||||
| 65 | R | 35 | Very low | 38.2 | Very low | 209 Ų | 209 | 126.6 Ų | 126.6 | 79% | 0.789 | 81% | 0.805 | S | S | * | * | trans | 79.8 | 122.8 | 153.2 | -74.3 | 159.1 | 171.7 | 133.9 | -5.5 | 117.9 | ||||
| 66 | S | 39.8 | Very low | 38.4 | Very low | 112 Ų | 112 | 129.4 Ų | 129.4 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | trans | -64.6 | 156.3 | 156.1 | -32 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 67 | P | 48.6 | Very low | 38.8 | Very low | 127 Ų | 127 | 131.2 Ų | 131.2 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | -117.8 | -170.6 | 125 | 34.5 | -30.6 | 0 | 0 | 0 | 111.9 | |||||
| 68 | L | 37.7 | Very low | 37.9 | Very low | 158 Ų | 158 | 131 Ų | 131 | 83% | 0.827 | 80% | 0.801 | S | S | * | * | trans | -110.7 | 169.6 | -159.4 | -65.5 | 165.5 | 0 | 0 | 0 | 114.3 | ||||
| 69 | L | 36.8 | Very low | 38 | Very low | 167 Ų | 167 | 134.2 Ų | 134.2 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | 106.1 | 154.1 | 150.7 | -55.2 | -178.5 | 0 | 0 | 0 | 119.4 | ||||
| 70 | A | 33.9 | Very low | 38.2 | Very low | 101 Ų | 101 | 133 Ų | 133 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | trans | 80 | 70.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 71 | G | 32 | Very low | 38.1 | Very low | 90 Ų | 90 | 135 Ų | 135 | 93% | 0.928 | 82% | 0.816 | S | S | * | * | 73.6 | 124.8 | 115.8 | 0 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 72 | G | 33 | Very low | 38.4 | Very low | 82 Ų | 82 | 136.9 Ų | 136.9 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | trans | 158.6 | 110.6 | 162.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 73 | S | 35 | Very low | 38.4 | Very low | 121 Ų | 121 | 137.9 Ų | 137.9 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 149.4 | 175.4 | -70 | 0 | 0 | 0 | 0 | 112.5 | ||
| 74 | P | 43.3 | Very low | 38.8 | Very low | 122 Ų | 122 | 136.6 Ų | 136.6 | 79% | 0.792 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 145.8 | -178 | 33.9 | -35.4 | 0 | 0 | 0 | 113.6 | ||
| 75 | P | 43.5 | Very low | 39 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 119 | 172.5 | 33.8 | -31.2 | 0 | 0 | 0 | 113.8 | ||
| 76 | Q | 37.5 | Very low | 39.2 | Very low | 173 Ų | 173 | 135.9 Ų | 135.9 | 81% | 0.808 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 173.5 | 143.6 | -82.5 | -85.5 | -15.2 | 0 | 0 | 107.8 | ||
| 77 | P | 43.4 | Very low | 39.2 | Very low | 106 Ų | 106 | 134.6 Ų | 134.6 | 69% | 0.688 | 83% | 0.832 | S | S | * | * | cis | -151.1 | -167.6 | 31.4 | 31.7 | -3.8 | 0 | 0 | 0 | 118.4 | ||||
| 78 | V | 33.2 | Very low | 39.3 | Very low | 124 Ų | 124 | 132.7 Ų | 132.7 | 75% | 0.752 | 83% | 0.827 | S | S | * | * | trans | 101 | 124.5 | 152.3 | -169.6 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 79 | L | 38.9 | Very low | 39.6 | Very low | 160 Ų | 160 | 130.6 Ų | 130.6 | 84% | 0.838 | 82% | 0.823 | S | S | * | * | trans | -100.1 | 154.6 | 165.8 | -63.7 | 167.4 | 0 | 0 | 0 | 109.4 | ||||
| 80 | P | 40.8 | Very low | 40.6 | Very low | 125 Ų | 125 | 128.6 Ų | 128.6 | 81% | 0.812 | 82% | 0.82 | S | S | * | * | -154.8 | 148.1 | 91.1 | 38 | -19.9 | 0 | 0 | 0 | 117.1 | |||||
| 81 | A | 33.2 | Very low | 41.3 | Very low | 103 Ų | 103 | 130.5 Ų | 130.5 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | trans | 170.2 | 149.6 | 134.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 82 | H | 44 | Very low | 42.6 | Very low | 178 Ų | 178 | 137 Ų | 137 | 82% | 0.824 | 82% | 0.817 | S | S | * | * | trans | -72.4 | 143.6 | 171 | -80.1 | -116.3 | 0 | 0 | 0 | 112.7 | ||||
| 83 | K | 41.1 | Very low | 43.4 | Very low | 202 Ų | 202 | 137.7 Ų | 137.7 | 88% | 0.878 | 81% | 0.809 | S | S | * | * | -160.8 | 123.5 | 121.8 | -150 | 154.5 | -172 | 165.9 | 0 | 113.9 | |||||
| 84 | D | 40.4 | Very low | 44.7 | Very low | 137 Ų | 137 | 139.4 Ų | 139.4 | 73% | 0.733 | 81% | 0.807 | S | S | * | * | trans | -62 | 130.7 | 171.9 | -55.8 | -112.8 | 0 | 0 | 0 | 112.6 | ||||
| 85 | K | 47 | Very low | 45.1 | Very low | 210 Ų | 210 | 143.3 Ų | 143.3 | 91% | 0.913 | 81% | 0.807 | S | S | * | * | trans | -143.8 | 131.5 | 144.2 | -75.2 | -154.3 | 173.4 | -172.2 | 0 | 110.6 | ||||
| 86 | S | 39.3 | Very low | 45.2 | Very low | 128 Ų | 128 | 144.1 Ų | 144.1 | 90% | 0.895 | 81% | 0.805 | S | S | * | * | trans | -73 | 148.6 | -174.3 | 45.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 87 | G | 40.5 | Very low | 45.6 | Very low | 85 Ų | 85 | 143.3 Ų | 143.3 | 88% | 0.876 | 81% | 0.806 | S | S | * | * | trans | -161.8 | 7.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 88 | A | 50.4 | Low | 46 | Very low | 87 Ų | 87 | 146 Ų | 146 | 72% | 0.719 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -140.5 | 148 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 89 | P | 44.3 | Very low | 46.4 | Very low | 114 Ų | 114 | 145 Ų | 145 | 74% | 0.74 | 81% | 0.811 | S | S | * | * | trans | -71 | 145.7 | 176 | 30.2 | -34.7 | 0 | 0 | 0 | 111.4 | V91 | P89-V91 PolarHBondContact O-N 3.4Å; P89-V91 VanDerWaalsContact O-N 3.15Å | ||
| 90 | P | 57.8 | Low | 46.3 | Very low | 125 Ų | 125 | 142.7 Ų | 142.7 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | trans | -73.9 | 107.8 | -175.5 | 28.9 | -34.5 | 0 | 0 | 0 | 112 | R92 | P90-R92 PolarHBondContact O-N 2.68Š| ||
| 91 | V | 49.6 | Very low | 46.5 | Very low | 141 Ų | 141 | 142.9 Ų | 142.9 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | trans | -71.2 | 104.9 | 164.2 | -179.9 | 0 | 0 | 0 | 0 | 108.1 | P89 S93 | P89-V91 PolarHBondContact O-N 3.4Å; P89-V91 VanDerWaalsContact O-N 3.15Å; V91-S93 PolarHBondContact O-N 3.41Å | ||
| 92 | R | 58.3 | Low | 46.5 | Very low | 226 Ų | 226 | 141.3 Ų | 141.3 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | trans | -70.2 | 117.4 | 168.7 | -81.6 | -179.1 | 159.2 | 155.1 | -6 | 108.9 | P90 | P90-R92 PolarHBondContact O-N 2.68Š| ||
| 93 | S | 50.7 | Low | 46.3 | Very low | 97 Ų | 97 | 141.6 Ų | 141.6 | 68% | 0.678 | 81% | 0.81 | S | S | * | * | trans | -62.1 | 143.3 | 172 | -170.9 | 0 | 0 | 0 | 0 | 110.2 | V91 | V91-S93 PolarHBondContact O-N 3.41Š| ||
| 94 | I | 61.3 | Low | 46.1 | Very low | 157 Ų | 157 | 135.8 Ų | 135.8 | 81% | 0.805 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -106.2 | 20.3 | -169.6 | -26.2 | 178.3 | 0 | 0 | 0 | 111.8 | ||
| 95 | Y | 52.3 | Low | 46.1 | Very low | 204 Ų | 204 | 135.2 Ų | 135.2 | 80% | 0.8 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -137.3 | 22.3 | -160.7 | -86.8 | -74.2 | 0 | 0 | 0 | 115.3 | ||
| 96 | D | 46.3 | Very low | 45.9 | Very low | 144 Ų | 144 | 131.1 Ų | 131.1 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | trans | -138.8 | 52 | -173.8 | -133.1 | -40 | 0 | 0 | 0 | 113 | ||||
| 97 | D | 45.5 | Very low | 46.1 | Very low | 156 Ų | 156 | 130.8 Ų | 130.8 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | trans | -150.5 | 52.3 | 174.6 | -143 | -32.8 | 0 | 0 | 0 | 112.1 | ||||
| 98 | I | 51.8 | Low | 45.9 | Very low | 164 Ų | 164 | 134.3 Ų | 134.3 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | trans | -131.7 | 37.2 | 177.5 | 59.2 | 156 | 0 | 0 | 0 | 113.7 | ||||
| 99 | S | 41 | Very low | 45.3 | Very low | 101 Ų | 101 | 137.1 Ų | 137.1 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -148.3 | 36.8 | 179.9 | 49.7 | 0 | 0 | 0 | 0 | 116.8 | ||
| 100 | S | 36.6 | Very low | 44.9 | Very low | 113 Ų | 113 | 137.1 Ų | 137.1 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | trans | 65 | -161.2 | 147.8 | -46.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 101 | P | 45.9 | Very low | 43.7 | Very low | 128 Ų | 128 | 142.1 Ų | 142.1 | 83% | 0.831 | 81% | 0.814 | S | S | * | * | -130.5 | 151.6 | -115.4 | 35.8 | -15.2 | 0 | 0 | 0 | 116.9 | |||||
| 102 | G | 33.5 | Very low | 43.1 | Very low | 70 Ų | 70 | 146.2 Ų | 146.2 | 72% | 0.722 | 81% | 0.814 | S | S | * | * | trans | 161.9 | 141.1 | 154 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 103 | L | 38.9 | Very low | 42.3 | Very low | 184 Ų | 184 | 143 Ų | 143 | 96% | 0.963 | 81% | 0.809 | S | S | * | * | trans | 49.9 | 100.1 | 146.1 | -62.1 | 165.4 | 0 | 0 | 0 | 117.6 | ||||
| 104 | G | 36.7 | Very low | 42 | Very low | 81 Ų | 81 | 144.8 Ų | 144.8 | 84% | 0.835 | 82% | 0.818 | S | S | * | * | trans | -86 | 174.9 | 172 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 105 | S | 40.7 | Very low | 40.8 | Very low | 125 Ų | 125 | 143.3 Ų | 143.3 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | trans | -150.2 | 138.7 | 161.9 | 46.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 106 | T | 42.9 | Very low | 40.3 | Very low | 123 Ų | 123 | 141.5 Ų | 141.5 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | trans | -94.3 | 163.3 | 160.6 | 57.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 107 | P | 43.3 | Very low | 39.6 | Very low | 122 Ų | 122 | 138.5 Ų | 138.5 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | -141.3 | 163.4 | 98.4 | 37 | -24 | 0 | 0 | 0 | 114.3 | |||||
| 108 | L | 37.3 | Very low | 39.3 | Very low | 159 Ų | 159 | 137.7 Ų | 137.7 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | -74.4 | 141.7 | 172.1 | -70.6 | 71.8 | 0 | 0 | 0 | 110.7 | ||||
| 109 | T | 37.5 | Very low | 39 | Very low | 145 Ų | 145 | 136.5 Ų | 136.5 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | trans | -127.6 | 160.6 | 142.4 | 63.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 110 | S | 34.6 | Very low | 38.8 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -127.7 | 167.1 | -161.6 | -176.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 111 | R | 32.8 | Very low | 38.8 | Very low | 229 Ų | 229 | 139.9 Ų | 139.9 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | 74 | 125.7 | 170.8 | -126.6 | 175.3 | -166.2 | -168.9 | 5.5 | 112.7 | ||||
| 112 | R | 37.8 | Very low | 38.8 | Very low | 228 Ų | 228 | 139.7 Ų | 139.7 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | cis | -165.1 | 145.5 | 35.9 | -162.5 | 179.1 | -165.6 | 174.2 | 2.1 | 109.6 | ||||
| 113 | Q | 40.4 | Very low | 39.3 | Very low | 159 Ų | 159 | 144 Ų | 144 | 74% | 0.743 | 81% | 0.806 | S | S | * | * | trans | -93.5 | 162.6 | 163.8 | -75.2 | -160.7 | 0.8 | 0 | 0 | 111.3 | ||||
| 114 | P | 44.3 | Very low | 39.5 | Very low | 134 Ų | 134 | 141.8 Ų | 141.8 | 87% | 0.87 | 80% | 0.8 | S | S | * | * | -123 | 169.6 | 106.9 | 37.1 | -34.2 | 0 | 0 | 0 | 114 | |||||
| 115 | N | 37.6 | Very low | 39.5 | Very low | 126 Ų | 126 | 140.6 Ų | 140.6 | 67% | 0.674 | 79% | 0.788 | S | S | * | * | trans | -115.5 | 136 | -167 | 164.7 | -7 | 0 | 0 | 0 | 110.7 | S117 | N115-S117 PolarHBondContact OD1-N 3.32Š| ||
| 116 | I | 40.8 | Very low | 39.4 | Very low | 166 Ų | 166 | 141.7 Ų | 141.7 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | trans | -131 | 94.1 | 156.5 | -59 | -175.9 | 0 | 0 | 0 | 110.4 | ||||
| 117 | S | 31.9 | Very low | 39.1 | Very low | 81 Ų | 81 | 141.5 Ų | 141.5 | 57% | 0.566 | 79% | 0.788 | S | S | * | * | trans | 32.6 | 120.9 | 140.5 | -153.8 | 0 | 0 | 0 | 0 | 120.2 | N115 | N115-S117 PolarHBondContact OD1-N 3.32Š| ||
| 118 | V | 40.1 | Very low | 38.9 | Very low | 139 Ų | 139 | 140.6 Ų | 140.6 | 84% | 0.842 | 79% | 0.785 | S | S | * | * | trans | -120.9 | 130.9 | 150.7 | 178.4 | 0 | 0 | 0 | 0 | 107.3 | Q120 | V118-Q120 PolarHBondContact O-N 3.36Š| ||
| 119 | M | 45 | Very low | 39.2 | Very low | 139 Ų | 139 | 139.5 Ų | 139.5 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | trans | -65.6 | 115.4 | 177.7 | -54.9 | -100.4 | 73.7 | 0 | 0 | 108.4 | ||||
| 120 | Q | 36.4 | Very low | 39.5 | Very low | 171 Ų | 171 | 138.6 Ų | 138.6 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | 71.1 | 102.3 | 71.2 | -167.5 | 174.9 | 12.5 | 0 | 0 | 112.9 | V118 | V118-Q120 PolarHBondContact O-N 3.36Š| |||
| 121 | S | 37.1 | Very low | 39.6 | Very low | 114 Ų | 114 | 136.4 Ų | 136.4 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | trans | -136.5 | 134.9 | 162.2 | -173.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 122 | P | 44.8 | Very low | 39.7 | Very low | 123 Ų | 123 | 132.8 Ų | 132.8 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | trans | -84.3 | 135.9 | -162.4 | 31.6 | -35.2 | 0 | 0 | 0 | 114.1 | ||||
| 123 | L | 45.6 | Very low | 39.7 | Very low | 160 Ų | 160 | 125 Ų | 125 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | trans | -93.1 | 130.6 | 163.6 | 174.3 | 64.2 | 0 | 0 | 0 | 109.6 | ||||
| 124 | V | 42.1 | Very low | 39.8 | Very low | 138 Ų | 138 | 126.8 Ų | 126.8 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | trans | -104.9 | 118.1 | 159.6 | -178.3 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 125 | G | 37.5 | Very low | 39.5 | Very low | 56 Ų | 56 | 125.3 Ų | 125.3 | 58% | 0.577 | 77% | 0.772 | S | S | * | * | trans | -113.7 | 174.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 126 | V | 38.2 | Very low | 40.1 | Very low | 148 Ų | 148 | 126.9 Ų | 126.9 | 90% | 0.897 | 78% | 0.778 | S | S | * | * | trans | -146 | 163.6 | 164.9 | 134 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 127 | T | 37.1 | Very low | 40.5 | Very low | 119 Ų | 119 | 128.3 Ų | 128.3 | 73% | 0.73 | 78% | 0.778 | S | S | * | * | trans | -95.1 | 178.8 | -155.5 | 51.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 128 | S | 39.2 | Very low | 40.9 | Very low | 104 Ų | 104 | 130 Ų | 130 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | 71.2 | 148.1 | 161.9 | 27.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 129 | T | 43.1 | Very low | 41.3 | Very low | 135 Ų | 135 | 129.2 Ų | 129.2 | 83% | 0.828 | 79% | 0.787 | S | S | * | * | cis | -150.2 | 166 | 7.8 | -3.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 130 | P | 43.8 | Very low | 41.7 | Very low | 127 Ų | 127 | 127.5 Ų | 127.5 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | -100.6 | 153.3 | -173.9 | 37.7 | -31.5 | 0 | 0 | 0 | 114.8 | ||||
| 131 | G | 35.4 | Very low | 41.9 | Very low | 69 Ų | 69 | 125.1 Ų | 125.1 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | trans | 141.8 | 132.2 | 153.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 132 | T | 36.6 | Very low | 42.5 | Very low | 153 Ų | 153 | 127.8 Ų | 127.8 | 94% | 0.939 | 80% | 0.801 | S | S | * | * | trans | 69.3 | 109.9 | 145.2 | -45.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 133 | G | 36.3 | Very low | 42.7 | Very low | 63 Ų | 63 | 125.1 Ų | 125.1 | 65% | 0.649 | 80% | 0.796 | S | S | * | * | 105.1 | 96.9 | 116.6 | 0 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 134 | Q | 43.3 | Very low | 42.4 | Very low | 197 Ų | 197 | 125.6 Ų | 125.6 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | trans | 66 | 163.7 | 139 | -57.1 | -171.8 | 0.8 | 0 | 0 | 121.4 | ||||
| 135 | S | 38 | Very low | 42.5 | Very low | 104 Ų | 104 | 124.7 Ų | 124.7 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | 59.4 | 119.2 | 174.6 | -142.2 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 136 | M | 49.8 | Very low | 42.6 | Very low | 159 Ų | 159 | 132.5 Ų | 132.5 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | 62.3 | 123.9 | 51.2 | -59.6 | -149.8 | -61.4 | 0 | 0 | 115 | |||||
| 137 | F | 49 | Very low | 43.1 | Very low | 195 Ų | 195 | 134.6 Ų | 134.6 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | trans | 59.9 | 127.4 | 171.1 | -81.4 | -94.3 | 0 | 0 | 0 | 119 | ||||
| 138 | S | 39.7 | Very low | 43.8 | Very low | 117 Ų | 117 | 133.2 Ų | 133.2 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -151.6 | 152.3 | 148.8 | -83.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 139 | P | 49.3 | Very low | 44.4 | Very low | 122 Ų | 122 | 135 Ų | 135 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | trans | -111.1 | -177.4 | -154.1 | 30.3 | -13.1 | 0 | 0 | 0 | 113.6 | ||||
| 140 | A | 53.8 | Low | 45.2 | Very low | 104 Ų | 104 | 132.6 Ų | 132.6 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | trans | -60.4 | 138.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 141 | S | 41.2 | Very low | 45.2 | Very low | 120 Ų | 120 | 130 Ų | 130 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | trans | -136.8 | 143.3 | 165.3 | -166.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 142 | I | 49.3 | Very low | 46.3 | Very low | 170 Ų | 170 | 132.1 Ų | 132.1 | 87% | 0.872 | 77% | 0.766 | S | S | * | * | trans | -67.6 | 156.5 | -179.5 | -77.9 | 157.4 | 0 | 0 | 0 | 111.2 | ||||
| 143 | G | 47.8 | Very low | 47.3 | Very low | 67 Ų | 67 | 128.7 Ų | 128.7 | 69% | 0.691 | 75% | 0.753 | S | S | * | * | trans | 110.1 | 43.3 | 144.2 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 144 | Q | 39.8 | Very low | 48.1 | Very low | 171 Ų | 171 | 129.7 Ų | 129.7 | 80% | 0.799 | 74% | 0.741 | S | S | * | * | trans | -138.1 | 137.2 | 150.3 | -80.3 | -155 | -17.5 | 0 | 0 | 112.8 | R146 | Q144-R146 VanDerWaalsContact C-N 3.32Å; Q144-R146 PolarHBondContact O-N 3.08Å | ||
| 145 | P | 43.9 | Very low | 48.5 | Very low | 119 Ų | 119 | 126.2 Ų | 126.2 | 77% | 0.773 | 73% | 0.728 | S | S | * | * | trans | -70.2 | 94.2 | 160.2 | 30.9 | -31.1 | 0 | 0 | 0 | 107.6 | K147 | P145-K147 VanDerWaalsContact C-N 3.27Å; P145-K147 PolarHBondContact O-N 3.1Å | ||
| 146 | R | 41.1 | Very low | 49.3 | Very low | 219 Ų | 219 | 125.2 Ų | 125.2 | 83% | 0.826 | 71% | 0.714 | S | S | * | * | trans | -61.3 | 94.6 | 167.9 | -86.7 | -174.5 | 171.8 | 161.3 | -1.6 | 108.3 | Q144 T148 | Q144-R146 VanDerWaalsContact C-N 3.32Å; Q144-R146 PolarHBondContact O-N 3.08Å; R146-T148 PolarHBondContact O-N 3.14Å | ||
| 147 | K | 47.7 | Very low | 49.9 | Very low | 192 Ų | 192 | 121.7 Ų | 121.7 | 84% | 0.835 | 70% | 0.704 | S | S | * | * | trans | -61.2 | 87.5 | 151 | -68.9 | -176.7 | 178.5 | -177.9 | 0 | 106 | P145 T149 | P145-K147 VanDerWaalsContact C-N 3.27Å; P145-K147 PolarHBondContact O-N 3.1Å; K147-T149 PolarHBondContact O-N 3.47Å; K147-T149 VanDerWaalsContact O-N 3.14Å | ||
| 148 | T | 51.2 | Low | 50.4 | Low | 91 Ų | 91 | 116.1 Ų | 116.1 | 56% | 0.558 | 68% | 0.679 | S | S | * | * | trans | -55.1 | 119.8 | 170.1 | 35 | 0 | 0 | 0 | 0 | 107 | R146 L150 | R146-T148 PolarHBondContact O-N 3.14Å; T148-L150 HydrophobicContact CG2-CD2 4.46Å; T148-L150 PolarHBondContact O-N 2.99Å | ||
| 149 | T | 53.2 | Low | 50.9 | Low | 140 Ų | 140 | 117.2 Ų | 117.2 | 86% | 0.859 | 67% | 0.666 | S | S | * | * | trans | -76.1 | 68.7 | 173.6 | 51.9 | 0 | 0 | 0 | 0 | 107.8 | K147 | K147-T149 PolarHBondContact O-N 3.47Å; K147-T149 VanDerWaalsContact O-N 3.14Å | ||
| 150 | L | 58.2 | Low | 51.4 | Low | 86 Ų | 86 | 114.9 Ų | 114.9 | 45% | 0.45 | 65% | 0.65 | S | S | . | * | trans | -60.6 | 137.2 | -179.8 | -60.4 | -179.6 | 0 | 0 | 0 | 108.8 | T148 Q154 | T148-L150 HydrophobicContact CG2-CD2 4.46Å; T148-L150 PolarHBondContact O-N 2.99Å; L150-Q154 HydrophobicContact CB-CB 3.97Å; L150-Q154 HydrophobicContact CB-CG 4.5Å | ||
| 151 | S | 44.8 | Very low | 51.5 | Low | 72 Ų | 72 | 114.9 Ų | 114.9 | 50% | 0.503 | 63% | 0.632 | S | S | . | * | trans | -67 | 154.8 | 179.9 | -68 | 0 | 0 | 0 | 0 | 110.3 | A153 Q154 | S151-A153 PolarHBondContact O-N 3.17Å; S151-Q154 WeakPolarHBondContact O-CB 3.46Å; S151-Q154 PolarHBondContact O-N 3.36Å | ||
| 152 | P | 59.1 | Low | 52.2 | Low | 113 Ų | 113 | 110.4 Ų | 110.4 | 73% | 0.734 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -52.8 | -27.4 | -178.3 | -30 | 36.5 | 0 | 0 | 0 | 115.2 | Q154 L155 | P152-Q154 PolarHBondContact O-N 3Å; P152-L155 WeakPolarHBondContact O-CB 3.4Å; P152-L155 PolarHBondContact O-N 2.93Å |
| 153 | A | 56 | Low | 52.4 | Low | 81 Ų | 81 | 108.3 Ų | 108.3 | 67% | 0.669 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -67.7 | -14 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115 | S151 | S151-A153 PolarHBondContact O-N 3.17Š|
| 154 | Q | 54.7 | Low | 52.8 | Low | 85 Ų | 85 | 109.6 Ų | 109.6 | 40% | 0.397 | 59% | 0.594 | S | S | . | * | G | 310 helix | trans | -93.6 | 2.4 | 178.8 | -57.1 | -173.4 | -92.1 | 0 | 0 | 112.8 | L150 S151 P152 T160 | L150-Q154 HydrophobicContact CB-CB 3.97Å; L150-Q154 HydrophobicContact CB-CG 4.5Å; S151-Q154 WeakPolarHBondContact O-CB 3.46Å; S151-Q154 PolarHBondContact O-N 3.36Å; P152-Q154 PolarHBondContact O-N 3Å; Q154-T160 PolarHBondContact O-OG1 3.35Å; Q154-T160 VanDerWaalsContact O-OG1 3.12Å |
| 155 | L | 51.1 | Low | 53.6 | Low | 124 Ų | 124 | 103.9 Ų | 103.9 | 65% | 0.649 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -94.1 | 4.4 | 172.4 | -53.4 | 174.5 | 0 | 0 | 0 | 111.9 | P152 P157 | P152-L155 WeakPolarHBondContact O-CB 3.4Å; P152-L155 PolarHBondContact O-N 2.93Å; L155-P157 WeakPolarHBondContact O-CD 3.27Å |
| 156 | D | 54.9 | Low | 54 | Low | 82 Ų | 82 | 102.8 Ų | 102.8 | 44% | 0.439 | 56% | 0.56 | S | S | . | * | trans | -61.7 | 120.5 | 176.2 | -176.1 | -16.2 | 0 | 0 | 0 | 109.4 | F158 Y159 T160 | D156-F158 PolarHBondContact O-N 2.92Å; D156-F158 VanDerWaalsContact O-N 3.08Å; D156-F158 VanDerWaalsContact OD1-CB 3.27Å; D156-F158 WeakPolarHBondContact OD1-CB 3.44Å; D156-F158 PolarHBondContact OD1-N 3.09Å; D156-Y159 WeakPolarHBondContact O-CA 3.42Å; D156-Y159 PolarHBondContact O-N 3.19Å; D156-T160 PolarHBondContact O-N 2.84Å; D156-T160 PolarHBondContact O-OG1 3Å | ||
| 157 | P | 61.8 | Low | 54.7 | Low | 86 Ų | 86 | 98.6 Ų | 98.6 | 56% | 0.558 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -51.7 | -32.5 | 176 | -27.3 | 35.6 | 0 | 0 | 0 | 113.1 | L155 Y159 Q161 | L155-P157 WeakPolarHBondContact O-CD 3.27Å; P157-Y159 VanDerWaalsContact C-N 3.28Å; P157-Y159 PolarHBondContact O-N 2.98Å; P157-Q161 VanDerWaalsContact O-CB 3.26Å; P157-Q161 WeakPolarHBondContact O-CB 3.4Å; P157-Q161 WeakPolarHBondContact O-CG 3.15Å; P157-Q161 PolarHBondContact O-N 3Å; P157-Q161 VanDerWaalsContact O-N 3.09Å |
| 158 | F | 59.8 | Low | 54.9 | Low | 78 Ų | 78 | 97.9 Ų | 97.9 | 34% | 0.342 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -68.2 | -27.3 | 178.2 | -142 | -82.6 | 0 | 0 | 0 | 113.1 | D156 K241 P242 I244 | D156-F158 PolarHBondContact O-N 2.92Å; D156-F158 VanDerWaalsContact O-N 3.08Å; D156-F158 VanDerWaalsContact OD1-CB 3.27Å; D156-F158 WeakPolarHBondContact OD1-CB 3.44Å; D156-F158 PolarHBondContact OD1-N 3.09Å; F158-K241 HydrophobicContact CE1-CB 4.18Å; F158-K241 HydrophobicContact CE2-CB 3.59Å; F158-K241 HydrophobicContact CE2-CG 4.17Å; F158-K241 HydrophobicContact CZ-CB 3.37Å; F158-K241 HydrophobicContact CZ-CG 4.09Å; F158-P242 WeakPolarHBondContact CZ-O 3.5Å; F158-I244 HydrophobicContact CD2-CD1 3.98Å; F158-I244 HydrophobicContact CE2-CD1 4.14Å; F158-I244 HydrophobicContact CE2-CG1 4.46Å; F158-I244 HydrophobicContact CG-CD1 4.26Å; F158-I244 HydrophobicContact CZ-CG2 4.12Å |
| 159 | Y | 51.2 | Low | 55.6 | Low | 139 Ų | 139 | 96.5 Ų | 96.5 | 55% | 0.545 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -91.4 | -49.9 | 177.6 | -146.6 | -66.1 | 0 | 0 | 0 | 111.1 | D156 P157 Q161 G162 D163 | D156-Y159 WeakPolarHBondContact O-CA 3.42Å; D156-Y159 PolarHBondContact O-N 3.19Å; P157-Y159 VanDerWaalsContact C-N 3.28Å; P157-Y159 PolarHBondContact O-N 2.98Å; Y159-Q161 PolarHBondContact O-N 2.96Å; Y159-G162 WeakPolarHBondContact O-CA 3.04Å; Y159-G162 PolarHBondContact O-N 3.09Å; Y159-G162 VanDerWaalsContact O-N 3.12Å; Y159-D163 WeakPolarHBondContact CD1-OD2 3.18Å; Y159-D163 WeakPolarHBondContact CE1-OD2 3.43Å; Y159-D163 PolarHBondContact O-N 3.34Å |
| 160 | T | 58.6 | Low | 56.2 | Low | 74 Ų | 74 | 97.9 Ų | 97.9 | 45% | 0.454 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -71 | -33.5 | -174.2 | -35.2 | 0 | 0 | 0 | 0 | 113.1 | Q154 D156 S164 | Q154-T160 PolarHBondContact O-OG1 3.35Å; Q154-T160 VanDerWaalsContact O-OG1 3.12Å; D156-T160 PolarHBondContact O-N 2.84Å; D156-T160 PolarHBondContact O-OG1 3Å; T160-S164 PolarHBondContact O-OG 3.31Å |
| 161 | Q | 55 | Low | 57.2 | Low | 104 Ų | 104 | 95.6 Ų | 95.6 | 49% | 0.486 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -33.9 | 168.6 | -63.2 | -174.1 | -13 | 0 | 0 | 111.2 | P157 Y159 S164 I244 | P157-Q161 VanDerWaalsContact O-CB 3.26Å; P157-Q161 WeakPolarHBondContact O-CB 3.4Å; P157-Q161 WeakPolarHBondContact O-CG 3.15Å; P157-Q161 PolarHBondContact O-N 3Å; P157-Q161 VanDerWaalsContact O-N 3.09Å; Y159-Q161 PolarHBondContact O-N 2.96Å; Q161-S164 WeakPolarHBondContact O-CB 3.32Å; Q161-S164 PolarHBondContact O-N 3.43Å; Q161-S164 VanDerWaalsContact O-N 3.08Å; Q161-I244 HydrophobicContact CB-CD1 4.09Å |
| 162 | G | 57.5 | Low | 59 | Low | 26 Ų | 26 | 94.3 Ų | 94.3 | 27% | 0.268 | 53% | 0.525 | S | S | . | . | G | 310 helix | trans | -57.5 | -48.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y159 S164 L165 | Y159-G162 WeakPolarHBondContact O-CA 3.04Å; Y159-G162 PolarHBondContact O-N 3.09Å; Y159-G162 VanDerWaalsContact O-N 3.12Å; G162-S164 PolarHBondContact O-N 3.05Å; G162-S164 VanDerWaalsContact O-N 3.1Å; G162-L165 WeakPolarHBondContact O-CB 3.23Å; G162-L165 PolarHBondContact O-N 3.16Å |
| 163 | D | 53.4 | Low | 60.5 | Low | 126 Ų | 126 | 92.7 Ų | 92.7 | 67% | 0.674 | 51% | 0.51 | S | S | * | . | G | 310 helix | trans | -64.1 | -13.1 | 176.3 | -79 | -28.2 | 0 | 0 | 0 | 113.6 | Y159 | Y159-D163 WeakPolarHBondContact CD1-OD2 3.18Å; Y159-D163 WeakPolarHBondContact CE1-OD2 3.43Å; Y159-D163 PolarHBondContact O-N 3.34Å |
| 164 | S | 56 | Low | 62.4 | Low | 94 Ų | 94 | 89.4 Ų | 89.4 | 66% | 0.657 | 48% | 0.482 | S | S | * | . | G | 310 helix | trans | -92.7 | -1.6 | 173.5 | -56.8 | 0 | 0 | 0 | 0 | 113.5 | T160 Q161 G162 | T160-S164 PolarHBondContact O-OG 3.31Å; Q161-S164 WeakPolarHBondContact O-CB 3.32Å; Q161-S164 PolarHBondContact O-N 3.43Å; Q161-S164 VanDerWaalsContact O-N 3.08Å; G162-S164 PolarHBondContact O-N 3.05Å; G162-S164 VanDerWaalsContact O-N 3.1Å |
| 165 | L | 56 | Low | 64.4 | Low | 50 Ų | 50 | 85.5 Ų | 85.5 | 26% | 0.262 | 46% | 0.464 | S | S | . | . | trans | -95.7 | 110.4 | 174.5 | -59.1 | 172.8 | 0 | 0 | 0 | 109.3 | G162 L171 I244 | G162-L165 WeakPolarHBondContact O-CB 3.23Å; G162-L165 PolarHBondContact O-N 3.16Å; L165-L171 HydrophobicContact CD1-CD1 3.74Å; L165-L171 HydrophobicContact CD2-CD1 4.44Å; L165-L171 HydrophobicContact CD2-CD2 4.42Å; L165-I244 HydrophobicContact CD1-CB 4.35Å; L165-I244 HydrophobicContact CD1-CG2 4.09Å | ||
| 166 | T | 53.2 | Low | 66.6 | Low | 96 Ų | 96 | 79.6 Ų | 79.6 | 59% | 0.589 | 43% | 0.433 | S | S | * | . | trans | -72.1 | 154.4 | 164.3 | 55.5 | 0 | 0 | 0 | 0 | 109.7 | E168 D169 | T166-E168 PolarHBondContact O-N 3.33Å; T166-D169 WeakPolarHBondContact O-CB 3.42Å; T166-D169 PolarHBondContact O-N 3.07Å | ||
| 167 | S | 54.3 | Low | 68.7 | Low | 132 Ų | 132 | 76.4 Ų | 76.4 | 92% | 0.923 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -11.5 | 177.6 | -46.3 | 0 | 0 | 0 | 0 | 114.8 | ||
| 168 | E | 53 | Low | 70.4 | Confident | 176 Ų | 176 | 72.3 Ų | 72.3 | 82% | 0.822 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -15.9 | 176.7 | -59.9 | -71.7 | 91.9 | 0 | 0 | 112.6 | T166 H170 | T166-E168 PolarHBondContact O-N 3.33Å; E168-H170 PolarHBondContact O-N 3.47Å; E168-H170 VanDerWaalsContact O-N 3.09Å |
| 169 | D | 66.4 | Low | 72.2 | Confident | 62 Ų | 62 | 72 Ų | 72 | 33% | 0.332 | 39% | 0.389 | S | S | . | . | trans | -78.2 | 97 | -176.7 | -156.2 | -95.2 | 0 | 0 | 0 | 110 | T166 L171 K246 | T166-D169 WeakPolarHBondContact O-CB 3.42Å; T166-D169 PolarHBondContact O-N 3.07Å; D169-L171 VanDerWaalsContact C-N 3.28Å; D169-L171 PolarHBondContact O-N 3.38Å; D169-L171 VanDerWaalsContact OD1-CD2 3.26Å; D169-L171 WeakPolarHBondContact OD1-CD2 3.43Å; D169-K246 WeakPolarHBondContact OD1-CE 3.23Å; D169-K246 IonicContact OD1-NZ 3.13Å; D169-K246 PolarHBondContact OD1-NZ 3.3Å; D169-K246 IonicContact OD2-NZ 2.65Å; D169-K246 PolarHBondContact OD2-NZ 3.01Å | ||
| 170 | H | 66 | Low | 74.4 | Confident | 169 Ų | 169 | 66.8 Ų | 66.8 | 78% | 0.782 | 38% | 0.377 | S | S | * | . | trans | -73.3 | 76.7 | -173 | -168.8 | 77.4 | 0 | 0 | 0 | 112.5 | E168 | E168-H170 PolarHBondContact O-N 3.47Å; E168-H170 VanDerWaalsContact O-N 3.09Å | ||
| 171 | L | 78.4 | Confident | 76.2 | Confident | 38 Ų | 38 | 63.6 Ų | 63.6 | 20% | 0.199 | 36% | 0.356 | C | S | . | . | trans | -63.6 | 140.8 | 170 | -57.8 | -169.7 | 0 | 0 | 0 | 110.7 | L165 D169 D173 I244 K246 M249 | L165-L171 HydrophobicContact CD1-CD1 3.74Å; L165-L171 HydrophobicContact CD2-CD1 4.44Å; L165-L171 HydrophobicContact CD2-CD2 4.42Å; D169-L171 VanDerWaalsContact C-N 3.28Å; D169-L171 PolarHBondContact O-N 3.38Å; D169-L171 VanDerWaalsContact OD1-CD2 3.26Å; D169-L171 WeakPolarHBondContact OD1-CD2 3.43Å; L171-D173 PolarHBondContact O-N 3.09Å; L171-I244 HydrophobicContact CD1-CG2 4.43Å; L171-K246 HydrophobicContact CD2-CD 4.43Å; L171-K246 HydrophobicContact CD2-CG 4.02Å; L171-M249 HydrophobicContact CB-CE 4.27Å; L171-M249 HydrophobicContact CD1-CE 4.43Å; L171-M249 HydrophobicContact CD2-CE 3.86Å; L171-M249 HydrophobicContact CG-CE 4.41Å | ||
| 172 | D | 82.5 | Confident | 78.1 | Confident | 45 Ų | 45 | 61.9 Ų | 61.9 | 24% | 0.241 | 36% | 0.355 | C | S | . | . | trans | -73.7 | 97.8 | 179.5 | 175.3 | 1.9 | 0 | 0 | 0 | 110.3 | S174 W175 R214 M249 | D172-S174 PolarHBondContact O-N 3.18Å; D172-S174 WeakPolarHBondContact OD1-CB 3.49Å; D172-S174 PolarHBondContact OD1-N 2.95Å; D172-S174 PolarHBondContact OD1-OG 3.3Å; D172-S174 PolarHBondContact OD2-OG 2.77Å; D172-S174 VanDerWaalsContact OD2-OG 3.1Å; D172-W175 VanDerWaalsContact CG-CD1 3.42Å; D172-W175 PolarHBondContact O-N 2.82Å; D172-W175 VanDerWaalsContact OD2-CD1 3.24Å; D172-W175 PolarHBondContact OD2-NE1 3.09Å; D172-W175 VanDerWaalsContact OD2-NE1 3.15Å; D172-R214 IonicContact OD2-CZ 3.48Å; D172-R214 IonicContact OD2-NE 2.72Å; D172-R214 PolarHBondContact OD2-NE 3.46Å; D172-R214 IonicContact OD2-NH2 3.29Å; D172-R214 PolarHBondContact OD2-NH2 3.11Å; D172-M249 HydrophobicContact CB-SD 4.03Å | ||
| 173 | D | 91.2 | Very high | 79.8 | Confident | 80 Ų | 80 | 68.6 Ų | 68.6 | 43% | 0.428 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -10.2 | 175.9 | -75 | -80.5 | 0 | 0 | 0 | 115.7 | L171 W175 K218 A221 | L171-D173 PolarHBondContact O-N 3.09Å; D173-W175 VanDerWaalsContact C-N 3.26Å; D173-K218 HydrophobicContact CB-CB 4.2Å; D173-K218 HydrophobicContact CB-CD 3.49Å; D173-K218 VanDerWaalsContact CB-CD 3.49Å; D173-K218 HydrophobicContact CB-CG 3.76Å; D173-K218 WeakPolarHBondContact OD1-CE 3.45Å; D173-K218 IonicContact OD1-NZ 2.65Å; D173-K218 PolarHBondContact OD1-NZ 2.9Å; D173-K218 WeakPolarHBondContact OD2-CE 3.39Å; D173-K218 IonicContact OD2-NZ 2.81Å; D173-K218 PolarHBondContact OD2-NZ 2.84Å; D173-A221 WeakPolarHBondContact O-CB 3.37Å |
| 174 | S | 95.4 | Very high | 81.8 | Confident | 12 Ų | 12 | 67.5 Ų | 67.5 | 8% | 0.084 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -10.6 | 171.4 | 75.4 | 0 | 0 | 0 | 0 | 113.4 | D172 R214 Y215 | D172-S174 PolarHBondContact O-N 3.18Å; D172-S174 WeakPolarHBondContact OD1-CB 3.49Å; D172-S174 PolarHBondContact OD1-N 2.95Å; D172-S174 PolarHBondContact OD1-OG 3.3Å; D172-S174 PolarHBondContact OD2-OG 2.77Å; D172-S174 VanDerWaalsContact OD2-OG 3.1Å; S174-R214 WeakPolarHBondContact OG-CG 3.3Å; S174-Y215 WeakPolarHBondContact CB-O 3.29Å; S174-Y215 PolarHBondContact O-N 3.14Å |
| 175 | W | 96.9 | Very high | 83.7 | Confident | 3 Ų | 3 | 64.6 Ų | 64.6 | 1% | 0.011 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 139.2 | 178.8 | -69.3 | 83.2 | 0 | 0 | 0 | 114.5 | D172 D173 K201 H212 I213 R214 C243 V248 M249 S252 | D172-W175 VanDerWaalsContact CG-CD1 3.42Å; D172-W175 PolarHBondContact O-N 2.82Å; D172-W175 VanDerWaalsContact OD2-CD1 3.24Å; D172-W175 PolarHBondContact OD2-NE1 3.09Å; D172-W175 VanDerWaalsContact OD2-NE1 3.15Å; D173-W175 VanDerWaalsContact C-N 3.26Å; W175-K201 HydrophobicContact CH2-CB 4.43Å; W175-K201 HydrophobicContact CH2-CD 4.04Å; W175-K201 HydrophobicContact CH2-CG 4.27Å; W175-H212 HydrophobicContact CE3-CB 4.01Å; W175-H212 HydrophobicContact CZ3-CB 3.98Å; W175-I213 VanDerWaalsContact CA-O 3.31Å; W175-I213 WeakPolarHBondContact CA-O 3.18Å; W175-R214 HydrophobicContact CD2-CB 3.68Å; W175-R214 HydrophobicContact CD2-CG 3.99Å; W175-R214 HydrophobicContact CE3-CB 3.94Å; W175-R214 HydrophobicContact CG-CB 4.28Å; W175-R214 HydrophobicContact CG-CG 4.22Å; W175-R214 HydrophobicContact CH2-CB 3.96Å; W175-R214 HydrophobicContact CZ2-CB 3.67Å; W175-R214 HydrophobicContact CZ2-CG 3.94Å; W175-R214 HydrophobicContact CZ3-CB 4.08Å; W175-C243 HydrophobicContact CB-CB 3.4Å; W175-C243 VanDerWaalsContact CB-CB 3.4Å; W175-C243 HydrophobicContact CG-CB 4.37Å; W175-C243 PolarHBondContact O-N 3.3Å; W175-V248 HydrophobicContact CE3-CG1 4.21Å; W175-V248 HydrophobicContact CH2-CG1 3.84Å; W175-V248 HydrophobicContact CZ3-CG1 3.55Å; W175-M249 HydrophobicContact CB-SD 4.36Å; W175-M249 HydrophobicContact CD2-CG 3.97Å; W175-M249 HydrophobicContact CG-CG 3.86Å; W175-M249 HydrophobicContact CG-SD 4.15Å; W175-S252 WeakPolarHBondContact CZ2-OG 3.46Å |
| 176 | V | 97.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 148.1 | 168.8 | -58.3 | 0 | 0 | 0 | 0 | 110.8 | V178 H212 I213 Y215 A221 A224 L225 V240 K241 | V176-V178 HydrophobicContact CG2-CG2 4.05Å; V176-H212 CarbonylContact O-C 3.51Å; V176-H212 WeakPolarHBondContact O-CA 3.46Å; V176-I213 HydrophobicContact CG2-CB 4.05Å; V176-I213 PolarHBondContact N-O 3.37Å; V176-I213 PolarHBondContact O-N 2.96Å; V176-Y215 HydrophobicContact CG2-CD2 4.4Å; V176-Y215 HydrophobicContact CG2-CE2 3.85Å; V176-A221 HydrophobicContact CG1-CB 4.01Å; V176-A224 HydrophobicContact CG1-CB 4.47Å; V176-A224 HydrophobicContact CG2-CB 4.32Å; V176-L225 HydrophobicContact CG1-CD1 4.27Å; V176-L225 HydrophobicContact CG1-CD2 4.04Å; V176-L225 HydrophobicContact CG1-CG 3.8Å; V176-V240 HydrophobicContact CB-CG1 4.01Å; V176-V240 HydrophobicContact CG1-CG1 4.42Å; V176-V240 HydrophobicContact CG2-CG1 4.27Å; V176-K241 CarbonylContact C-O 3.54Å; V176-K241 WeakPolarHBondContact CA-O 3.46Å |
| 177 | T | 97.6 | Very high | 87.7 | Confident | 14 Ų | 14 | 62 Ų | 62 | 9% | 0.086 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 120 | 164.4 | -55.6 | 0 | 0 | 0 | 0 | 108.2 | W210 M211 H212 V240 K241 | T177-W210 HydrophobicContact CG2-CB 4.23Å; T177-M211 WeakPolarHBondContact CA-O 3.44Å; T177-H212 PolarHBondContact OG1-CE1 3.11Å; T177-H212 PolarHBondContact OG1-ND1 2.96Å; T177-V240 WeakPolarHBondContact O-CA 3.45Å; T177-K241 PolarHBondContact N-O 3.33Å; T177-K241 PolarHBondContact O-N 2.93Å |
| 178 | V | 98.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 134.5 | 175 | -172.3 | 0 | 0 | 0 | 0 | 108.1 | V176 F181 I189 F193 W210 M211 I213 I238 G239 V240 | V176-V178 HydrophobicContact CG2-CG2 4.05Å; V178-F181 HydrophobicContact CB-CE1 4.44Å; V178-F181 HydrophobicContact CG1-CD1 4.4Å; V178-F181 HydrophobicContact CG1-CE1 4.17Å; V178-F181 WeakPolarHBondContact O-CE1 3.39Å; V178-I189 HydrophobicContact CG1-CG2 3.93Å; V178-F193 HydrophobicContact CB-CE1 4.45Å; V178-F193 HydrophobicContact CG1-CD2 4.48Å; V178-F193 HydrophobicContact CG1-CE1 4.04Å; V178-F193 HydrophobicContact CG1-CE2 3.98Å; V178-F193 HydrophobicContact CG1-CZ 3.74Å; V178-F193 HydrophobicContact CG2-CD1 3.63Å; V178-F193 HydrophobicContact CG2-CE1 3.51Å; V178-F193 HydrophobicContact CG2-CG 4.32Å; V178-F193 HydrophobicContact CG2-CZ 4.11Å; V178-W210 CarbonylContact O-C 3.52Å; V178-W210 WeakPolarHBondContact O-CA 3.38Å; V178-W210 WeakPolarHBondContact O-CB 3.38Å; V178-M211 HydrophobicContact CB-CE 4.05Å; V178-M211 HydrophobicContact CB-CG 4.07Å; V178-M211 HydrophobicContact CG1-CE 4.02Å; V178-M211 HydrophobicContact CG2-CE 4.49Å; V178-M211 PolarHBondContact N-O 2.82Å; V178-M211 PolarHBondContact O-N 3.14Å; V178-I213 HydrophobicContact CG2-CD1 3.79Å; V178-I213 HydrophobicContact CG2-CG1 4.35Å; V178-I238 HydrophobicContact CG1-CG2 3.53Å; V178-G239 WeakPolarHBondContact CA-O 3.38Å; V178-V240 HydrophobicContact CG2-CG1 4.38Å |
| 179 | F | 97.8 | Very high | 91.9 | Very high | 73 Ų | 73 | 51.8 Ų | 51.8 | 32% | 0.32 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 175.4 | -178.8 | 63.7 | -93.8 | 0 | 0 | 0 | 113.3 | N209 W210 I238 G239 K241 | F179-N209 VanDerWaalsContact CA-O 3.29Å; F179-N209 WeakPolarHBondContact CA-O 3.43Å; F179-W210 HydrophobicContact CB-CB 3.63Å; F179-I238 WeakPolarHBondContact O-CA 3.48Å; F179-G239 PolarHBondContact N-O 3.29Å; F179-G239 PolarHBondContact O-N 3.15Å; F179-K241 HydrophobicContact CE1-CG 3.79Å; F179-K241 HydrophobicContact CZ-CG 4.32Å |
| 180 | G | 96.9 | Very high | 93.4 | Very high | 28 Ų | 28 | 50 Ų | 50 | 29% | 0.289 | 28% | 0.282 | S | S | . | . | trans | 94.2 | 5.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | N209 | G180-N209 PolarHBondContact N-O 3.48Å; G180-N209 VanDerWaalsContact N-O 3.16Å | ||
| 181 | F | 96.5 | Very high | 94.9 | Very high | 7 Ų | 7 | 47.7 Ų | 47.7 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | trans | -99.9 | 144.4 | 179.5 | 55 | -94.7 | 0 | 0 | 0 | 113.1 | V178 A186 I189 N209 M211 I236 I238 | V178-F181 HydrophobicContact CB-CE1 4.44Å; V178-F181 HydrophobicContact CG1-CD1 4.4Å; V178-F181 HydrophobicContact CG1-CE1 4.17Å; V178-F181 WeakPolarHBondContact O-CE1 3.39Å; F181-A186 HydrophobicContact CD2-CB 3.87Å; F181-A186 HydrophobicContact CE2-CB 3.53Å; F181-I189 HydrophobicContact CB-CG1 3.82Å; F181-I189 HydrophobicContact CD1-CB 4.49Å; F181-I189 HydrophobicContact CD1-CG1 4.41Å; F181-I189 HydrophobicContact CD1-CG2 4.25Å; F181-I189 HydrophobicContact CG-CG1 4.17Å; F181-N209 WeakPolarHBondContact O-CB 3.43Å; F181-M211 HydrophobicContact CE1-CE 3.86Å; F181-M211 HydrophobicContact CE1-CG 3.96Å; F181-M211 HydrophobicContact CE1-SD 4.47Å; F181-M211 HydrophobicContact CZ-CB 4.08Å; F181-M211 HydrophobicContact CZ-CE 4.09Å; F181-M211 HydrophobicContact CZ-CG 3.74Å; F181-M211 HydrophobicContact CZ-SD 4.17Å; F181-I236 HydrophobicContact CB-CG2 3.9Å; F181-I238 HydrophobicContact CB-CD1 3.81Å; F181-I238 HydrophobicContact CD1-CD1 4Å; F181-I238 HydrophobicContact CG-CD1 4.41Å | ||
| 182 | P | 95.7 | Very high | 95.8 | Very high | 69 Ų | 69 | 47.7 Ų | 47.7 | 45% | 0.448 | 27% | 0.274 | S | S | . | . | trans | -67.5 | 144 | 167.6 | 29.9 | -33.6 | 0 | 0 | 0 | 109.9 | A184 S185 A186 I236 | P182-A184 PolarHBondContact O-N 2.94Å; P182-A184 VanDerWaalsContact O-N 3.13Å; P182-S185 PolarHBondContact O-N 3.33Å; P182-A186 PolarHBondContact O-N 3.24Å; P182-I236 HydrophobicContact CG-CD1 4.37Å | ||
| 183 | Q | 93.6 | Very high | 96.5 | Very high | 166 Ų | 166 | 45.6 Ų | 45.6 | 78% | 0.776 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -56.4 | -34 | -174.9 | -173.5 | 174.2 | -40.7 | 0 | 0 | 113.3 | S185 A186 | Q183-S185 PolarHBondContact O-N 3.02Å; Q183-A186 VanDerWaalsContact O-CB 3.29Å; Q183-A186 WeakPolarHBondContact O-CB 3.34Å; Q183-A186 PolarHBondContact O-N 2.96Å; Q183-A186 VanDerWaalsContact O-N 3.16Å |
| 184 | A | 94.9 | Very high | 96.9 | Very high | 104 Ų | 104 | 44.2 Ų | 44.2 | 86% | 0.86 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -61.5 | -24 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | P182 | P182-A184 PolarHBondContact O-N 2.94Å; P182-A184 VanDerWaalsContact O-N 3.13Å |
| 185 | S | 96.6 | Very high | 97 | Very high | 32 Ų | 32 | 49.2 Ų | 49.2 | 22% | 0.224 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -101 | 1.3 | 178.6 | -54.9 | 0 | 0 | 0 | 0 | 113.6 | P182 Q183 S187 Y188 I189 | P182-S185 PolarHBondContact O-N 3.33Å; Q183-S185 PolarHBondContact O-N 3.02Å; S185-S187 VanDerWaalsContact C-N 3.3Å; S185-S187 PolarHBondContact O-N 3.32Å; S185-Y188 WeakPolarHBondContact O-CB 3.34Å; S185-Y188 PolarHBondContact O-N 3.01Å; S185-I189 PolarHBondContact O-N 3.26Å |
| 186 | A | 96.4 | Very high | 96.9 | Very high | 9 Ų | 9 | 50.6 Ų | 50.6 | 7% | 0.074 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -54 | -44.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F181 P182 Q183 Y188 I189 L190 M204 | F181-A186 HydrophobicContact CD2-CB 3.87Å; F181-A186 HydrophobicContact CE2-CB 3.53Å; P182-A186 PolarHBondContact O-N 3.24Å; Q183-A186 VanDerWaalsContact O-CB 3.29Å; Q183-A186 WeakPolarHBondContact O-CB 3.34Å; Q183-A186 PolarHBondContact O-N 2.96Å; Q183-A186 VanDerWaalsContact O-N 3.16Å; A186-Y188 PolarHBondContact O-N 3.48Å; A186-I189 PolarHBondContact O-N 3.49Å; A186-L190 PolarHBondContact O-N 3.1Å; A186-M204 HydrophobicContact CB-CE 3.99Å; A186-M204 HydrophobicContact CB-SD 4.05Å |
| 187 | S | 96.6 | Very high | 96.9 | Very high | 82 Ų | 82 | 51.2 Ų | 51.2 | 57% | 0.573 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -62.3 | -40.9 | 176.1 | -49.2 | 0 | 0 | 0 | 0 | 112.7 | S185 L190 L191 | S185-S187 VanDerWaalsContact C-N 3.3Å; S185-S187 PolarHBondContact O-N 3.32Å; S187-L190 PolarHBondContact O-N 3.4Å; S187-L191 WeakPolarHBondContact O-CD1 3.26Å; S187-L191 PolarHBondContact O-N 3.41Å |
| 188 | Y | 97.4 | Very high | 96.9 | Very high | 95 Ų | 95 | 54.5 Ų | 54.5 | 37% | 0.373 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.8 | -45 | 176.4 | 165.3 | -100.7 | 0 | 0 | 0 | 111.1 | S185 A186 L190 L191 Q192 F232 G233 | S185-Y188 WeakPolarHBondContact O-CB 3.34Å; S185-Y188 PolarHBondContact O-N 3.01Å; A186-Y188 PolarHBondContact O-N 3.48Å; Y188-L190 PolarHBondContact O-N 3.09Å; Y188-L191 PolarHBondContact O-N 3.26Å; Y188-Q192 HydrophobicContact CD1-CG 4.49Å; Y188-Q192 HydrophobicContact CE1-CG 4.05Å; Y188-Q192 HydrophobicContact CE2-CG 4.1Å; Y188-Q192 VanDerWaalsContact CE2-NE2 3.25Å; Y188-Q192 WeakPolarHBondContact O-CG 3.24Å; Y188-Q192 PolarHBondContact O-N 2.91Å; Y188-F232 HydrophobicContact CE1-CB 4.24Å; Y188-G233 PolarHBondContact OH-N 3.1Å |
| 189 | I | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65 | -39.2 | 177 | -57.1 | -58.6 | 0 | 0 | 0 | 111.1 | V178 F181 S185 A186 L191 Q192 F193 M211 F232 I236 I238 | V178-I189 HydrophobicContact CG1-CG2 3.93Å; F181-I189 HydrophobicContact CB-CG1 3.82Å; F181-I189 HydrophobicContact CD1-CB 4.49Å; F181-I189 HydrophobicContact CD1-CG1 4.41Å; F181-I189 HydrophobicContact CD1-CG2 4.25Å; F181-I189 HydrophobicContact CG-CG1 4.17Å; S185-I189 PolarHBondContact O-N 3.26Å; A186-I189 PolarHBondContact O-N 3.49Å; I189-L191 VanDerWaalsContact C-N 3.32Å; I189-L191 PolarHBondContact O-N 3.24Å; I189-Q192 WeakPolarHBondContact O-CB 3.29Å; I189-Q192 PolarHBondContact O-N 3.02Å; I189-Q192 VanDerWaalsContact O-N 3.1Å; I189-F193 HydrophobicContact CG2-CD2 3.76Å; I189-F193 HydrophobicContact CG2-CE2 3.82Å; I189-F193 VanDerWaalsContact O-CD2 3.3Å; I189-F193 WeakPolarHBondContact O-CD2 3.47Å; I189-F193 PolarHBondContact O-N 3.06Å; I189-M211 HydrophobicContact CB-CE 3.96Å; I189-M211 HydrophobicContact CG2-CE 3.56Å; I189-F232 HydrophobicContact CD1-CB 3.96Å; I189-F232 HydrophobicContact CD1-CG 4.38Å; I189-I236 HydrophobicContact CD1-CD1 4.41Å; I189-I236 HydrophobicContact CD1-CG2 4.5Å; I189-I238 HydrophobicContact CD1-CD1 3.76Å; I189-I238 HydrophobicContact CD1-CG1 4.08Å; I189-I238 HydrophobicContact CG1-CD1 3.94Å; I189-I238 HydrophobicContact CG2-CD1 3.97Å; I189-I238 HydrophobicContact CG2-CG1 4.46Å |
| 190 | L | 97.6 | Very high | 96.8 | Very high | 25 Ų | 25 | 57.6 Ų | 57.6 | 13% | 0.131 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.5 | -42.4 | 174.4 | -176 | 65.9 | 0 | 0 | 0 | 111.7 | A186 S187 Y188 F193 A194 I199 H202 M204 M211 I213 | A186-L190 PolarHBondContact O-N 3.1Å; S187-L190 PolarHBondContact O-N 3.4Å; Y188-L190 PolarHBondContact O-N 3.09Å; L190-F193 PolarHBondContact O-N 2.75Å; L190-A194 PolarHBondContact O-N 3.29Å; L190-I199 HydrophobicContact CD1-CD1 3.88Å; L190-H202 HydrophobicContact CD1-CB 3.91Å; L190-M204 HydrophobicContact CB-CE 4.39Å; L190-M204 HydrophobicContact CD2-CE 4.18Å; L190-M211 HydrophobicContact CB-CE 4.35Å; L190-M211 HydrophobicContact CB-SD 4.25Å; L190-M211 HydrophobicContact CD1-SD 4.14Å; L190-I213 HydrophobicContact CD1-CD1 3.95Å; L190-I213 HydrophobicContact CD1-CG1 4.37Å |
| 191 | L | 97.3 | Very high | 96.7 | Very high | 119 Ų | 119 | 59 Ų | 59 | 62% | 0.623 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -66.1 | -32.5 | 173.8 | -90.9 | 76.4 | 0 | 0 | 0 | 113.1 | S187 Y188 I189 | S187-L191 WeakPolarHBondContact O-CD1 3.26Å; S187-L191 PolarHBondContact O-N 3.41Å; Y188-L191 PolarHBondContact O-N 3.26Å; I189-L191 VanDerWaalsContact C-N 3.32Å; I189-L191 PolarHBondContact O-N 3.24Å |
| 192 | Q | 97.4 | Very high | 96.7 | Very high | 39 Ų | 39 | 62.8 Ų | 62.8 | 18% | 0.182 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.8 | -41.7 | 171.4 | -65.4 | -56.1 | -40.7 | 0 | 0 | 111.5 | Y188 I189 A194 Q195 F232 | Y188-Q192 HydrophobicContact CD1-CG 4.49Å; Y188-Q192 HydrophobicContact CE1-CG 4.05Å; Y188-Q192 HydrophobicContact CE2-CG 4.1Å; Y188-Q192 VanDerWaalsContact CE2-NE2 3.25Å; Y188-Q192 WeakPolarHBondContact O-CG 3.24Å; Y188-Q192 PolarHBondContact O-N 2.91Å; I189-Q192 WeakPolarHBondContact O-CB 3.29Å; I189-Q192 PolarHBondContact O-N 3.02Å; I189-Q192 VanDerWaalsContact O-N 3.1Å; Q192-A194 PolarHBondContact O-N 2.97Å; Q192-Q195 WeakPolarHBondContact O-CB 3.43Å; Q192-Q195 PolarHBondContact O-N 3.35Å; Q192-F232 HydrophobicContact CB-CD1 4.02Å; Q192-F232 HydrophobicContact CB-CE1 3.84Å; Q192-F232 HydrophobicContact CG-CD1 3.86Å; Q192-F232 HydrophobicContact CG-CE1 4.17Å |
| 193 | F | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -74.4 | -24.2 | -178 | -85.6 | -110.7 | 0 | 0 | 0 | 113.3 | V178 I189 L190 Q195 Y196 I213 Y215 A224 K227 F232 I238 V240 | V178-F193 HydrophobicContact CB-CE1 4.45Å; V178-F193 HydrophobicContact CG1-CD2 4.48Å; V178-F193 HydrophobicContact CG1-CE1 4.04Å; V178-F193 HydrophobicContact CG1-CE2 3.98Å; V178-F193 HydrophobicContact CG1-CZ 3.74Å; V178-F193 HydrophobicContact CG2-CD1 3.63Å; V178-F193 HydrophobicContact CG2-CE1 3.51Å; V178-F193 HydrophobicContact CG2-CG 4.32Å; V178-F193 HydrophobicContact CG2-CZ 4.11Å; I189-F193 HydrophobicContact CG2-CD2 3.76Å; I189-F193 HydrophobicContact CG2-CE2 3.82Å; I189-F193 VanDerWaalsContact O-CD2 3.3Å; I189-F193 WeakPolarHBondContact O-CD2 3.47Å; I189-F193 PolarHBondContact O-N 3.06Å; L190-F193 PolarHBondContact O-N 2.75Å; F193-Q195 PolarHBondContact O-N 2.86Å; F193-Y196 HydrophobicContact CB-CD2 4.45Å; F193-Y196 HydrophobicContact CD1-CD2 4.09Å; F193-Y196 HydrophobicContact CD1-CE2 4.39Å; F193-Y196 HydrophobicContact CD2-CE2 4.12Å; F193-Y196 HydrophobicContact CE1-CD2 4.43Å; F193-Y196 HydrophobicContact CE1-CE2 4.48Å; F193-Y196 HydrophobicContact CE2-CE2 4.22Å; F193-Y196 HydrophobicContact CG-CD2 4.13Å; F193-Y196 HydrophobicContact CG-CE2 4.21Å; F193-Y196 HydrophobicContact CZ-CE2 4.39Å; F193-Y196 WeakPolarHBondContact O-CB 3.42Å; F193-Y196 PolarHBondContact O-N 3.04Å; F193-I213 HydrophobicContact CB-CD1 3.88Å; F193-I213 HydrophobicContact CD1-CD1 4.28Å; F193-I213 HydrophobicContact CG-CD1 4.28Å; F193-Y215 WeakPolarHBondContact CB-OH 3.48Å; F193-Y215 PolarHBondContact O-OH 2.92Å; F193-A224 HydrophobicContact CD1-CB 3.96Å; F193-A224 HydrophobicContact CE1-CB 4Å; F193-K227 HydrophobicContact CZ-CB 4.31Å; F193-F232 HydrophobicContact CE2-CE2 4.21Å; F193-F232 AromaticContact CE2-CZ 3.98Å; F193-F232 HydrophobicContact CE2-CZ 3.98Å; F193-I238 HydrophobicContact CE2-CG2 4.03Å; F193-I238 HydrophobicContact CZ-CG2 3.8Å; F193-V240 HydrophobicContact CE1-CG1 4.09Å; F193-V240 HydrophobicContact CE1-CG2 3.69Å; F193-V240 HydrophobicContact CZ-CG2 3.51Å |
| 194 | A | 97.9 | Very high | 96.7 | Very high | 52 Ų | 52 | 57 Ų | 57 | 43% | 0.43 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.4 | -23.8 | 170 | 0 | 0 | 0 | 0 | 0 | 113.5 | L190 Q192 Y196 G197 I199 | L190-A194 PolarHBondContact O-N 3.29Å; Q192-A194 PolarHBondContact O-N 2.97Å; A194-Y196 PolarHBondContact O-N 2.86Å; A194-G197 VanDerWaalsContact O-O 3.07Å; A194-I199 HydrophobicContact CB-CD1 4.06Å |
| 195 | Q | 97.5 | Very high | 96.6 | Very high | 117 Ų | 117 | 53.1 Ų | 53.1 | 55% | 0.547 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -12 | 173.5 | -59.3 | 167.8 | 45.8 | 0 | 0 | 112.7 | Q192 F193 K223 | Q192-Q195 WeakPolarHBondContact O-CB 3.43Å; Q192-Q195 PolarHBondContact O-N 3.35Å; F193-Q195 PolarHBondContact O-N 2.86Å; Q195-K223 PolarHBondContact O-NZ 3.36Å |
| 196 | Y | 96.7 | Very high | 96.1 | Very high | 31 Ų | 31 | 58.7 Ų | 58.7 | 12% | 0.122 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -30.2 | -179 | -54 | -29.9 | 0 | 0 | 0 | 112.6 | F193 A194 K223 A224 K227 F232 | F193-Y196 HydrophobicContact CB-CD2 4.45Å; F193-Y196 HydrophobicContact CD1-CD2 4.09Å; F193-Y196 HydrophobicContact CD1-CE2 4.39Å; F193-Y196 HydrophobicContact CD2-CE2 4.12Å; F193-Y196 HydrophobicContact CE1-CD2 4.43Å; F193-Y196 HydrophobicContact CE1-CE2 4.48Å; F193-Y196 HydrophobicContact CE2-CE2 4.22Å; F193-Y196 HydrophobicContact CG-CD2 4.13Å; F193-Y196 HydrophobicContact CG-CE2 4.21Å; F193-Y196 HydrophobicContact CZ-CE2 4.39Å; F193-Y196 WeakPolarHBondContact O-CB 3.42Å; F193-Y196 PolarHBondContact O-N 3.04Å; A194-Y196 PolarHBondContact O-N 2.86Å; Y196-K223 WeakPolarHBondContact O-CD 3.19Å; Y196-K223 PolarHBondContact O-NZ 2.84Å; Y196-K223 VanDerWaalsContact O-NZ 3.09Å; Y196-A224 HydrophobicContact CD2-CB 4.37Å; Y196-K227 HydrophobicContact CD2-CG 4.15Å; Y196-K227 HydrophobicContact CE2-CB 4.47Å; Y196-K227 HydrophobicContact CE2-CD 4.21Å; Y196-K227 HydrophobicContact CE2-CG 3.61Å; Y196-F232 HydrophobicContact CE2-CZ 4.29Å; Y196-F232 VanDerWaalsContact OH-CE1 3.23Å; Y196-F232 WeakPolarHBondContact OH-CE1 3.22Å; Y196-F232 VanDerWaalsContact OH-CZ 3.32Å; Y196-F232 WeakPolarHBondContact OH-CZ 3.24Å |
| 197 | G | 96.9 | Very high | 95.7 | Very high | 13 Ų | 13 | 63.8 Ų | 63.8 | 13% | 0.134 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -176.2 | 174.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A194 I199 Q220 | A194-G197 VanDerWaalsContact O-O 3.07Å; G197-I199 PolarHBondContact O-N 2.91Å; G197-Q220 VanDerWaalsContact CA-CD 3.49Å |
| 198 | N | 97.7 | Very high | 95.4 | Very high | 84 Ų | 84 | 61.1 Ų | 61.1 | 45% | 0.449 | 33% | 0.328 | S | S | . | . | trans | -70.4 | 120.3 | 176.5 | -175.7 | 22.1 | 0 | 0 | 0 | 109.7 | Y215 Q216 Q220 | N198-Y215 CarbonylContact O-C 3.55Å; N198-Y215 WeakPolarHBondContact O-CA 3.41Å; N198-Q216 HydrophobicContact CB-CB 4.02Å; N198-Q216 PolarHBondContact ND2-OE1 3.07Å; N198-Q216 PolarHBondContact O-N 2.94Å; N198-Q220 PolarHBondContact O-OE1 2.62Å | ||
| 199 | I | 97.5 | Very high | 95.3 | Very high | 38 Ų | 38 | 60.4 Ų | 60.4 | 20% | 0.195 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 115.1 | -179.6 | -64.4 | 177.9 | 0 | 0 | 0 | 108.6 | L190 A194 G197 K201 H202 I213 Y215 | L190-I199 HydrophobicContact CD1-CD1 3.88Å; A194-I199 HydrophobicContact CB-CD1 4.06Å; G197-I199 PolarHBondContact O-N 2.91Å; I199-K201 WeakPolarHBondContact CG2-O 3.27Å; I199-H202 HydrophobicContact CG2-CB 4.43Å; I199-I213 HydrophobicContact CB-CG2 4.35Å; I199-I213 HydrophobicContact CD1-CD1 4.43Å; I199-I213 HydrophobicContact CD1-CG2 3.78Å; I199-I213 HydrophobicContact CG1-CG2 3.71Å; I199-I213 HydrophobicContact CG2-CG2 3.84Å; I199-Y215 HydrophobicContact CD1-CE1 4.49Å; I199-Y215 HydrophobicContact CG1-CD1 4.17Å; I199-Y215 HydrophobicContact CG1-CE1 3.78Å |
| 200 | L | 96.1 | Very high | 95.2 | Very high | 99 Ų | 99 | 65 Ų | 65 | 52% | 0.518 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | -35.2 | 176.8 | -62.2 | -175.7 | 0 | 0 | 0 | 112.3 | R214 Q216 | L200-R214 HydrophobicContact CB-CB 4.5Å; L200-R214 PolarHBondContact N-O 3.48Å; L200-Q216 HydrophobicContact CD1-CB 4.44Å; L200-Q216 HydrophobicContact CD2-CB 4.16Å; L200-Q216 HydrophobicContact CD2-CG 4.27Å; L200-Q216 HydrophobicContact CG-CB 4.2Å |
| 201 | K | 95.4 | Very high | 95.2 | Very high | 59 Ų | 59 | 63.9 Ų | 63.9 | 26% | 0.257 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 148 | 178.8 | -177.2 | 171.5 | 168 | -174.1 | 0 | 109.4 | W175 I199 V203 R214 S251 S252 | W175-K201 HydrophobicContact CH2-CB 4.43Å; W175-K201 HydrophobicContact CH2-CD 4.04Å; W175-K201 HydrophobicContact CH2-CG 4.27Å; I199-K201 WeakPolarHBondContact CG2-O 3.27Å; K201-V203 HydrophobicContact CG-CG2 4.44Å; K201-R214 HydrophobicContact CB-CB 4.27Å; K201-R214 PolarHBondContact O-N 3.21Å; K201-S251 PolarHBondContact NZ-O 3.13Å; K201-S251 PolarHBondContact NZ-OG 3.16Å; K201-S252 WeakPolarHBondContact CD-OG 3.26Å; K201-S252 PolarHBondContact NZ-OG 3.5Å |
| 202 | H | 95.6 | Very high | 95.2 | Very high | 85 Ų | 85 | 59 Ų | 59 | 39% | 0.394 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 154.1 | 163.2 | 73.7 | -78.7 | 0 | 0 | 0 | 109.7 | L190 I199 H212 I213 | L190-H202 HydrophobicContact CD1-CB 3.91Å; I199-H202 HydrophobicContact CG2-CB 4.43Å; H202-H212 CarbonylContact C-O 3.58Å; H202-H212 WeakPolarHBondContact CA-O 3.2Å; H202-I213 HydrophobicContact CB-CG1 4.32Å |
| 203 | V | 95.4 | Very high | 95.2 | Very high | 45 Ų | 45 | 57.1 Ų | 57.1 | 27% | 0.273 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 113.9 | 176.1 | -178.9 | 0 | 0 | 0 | 0 | 107.8 | K201 M211 H212 V248 | K201-V203 HydrophobicContact CG-CG2 4.44Å; V203-M211 CarbonylContact O-C 3.48Å; V203-M211 VanDerWaalsContact O-CA 3.26Å; V203-M211 WeakPolarHBondContact O-CA 3.44Å; V203-M211 WeakPolarHBondContact O-CB 3.38Å; V203-H212 PolarHBondContact N-O 3.44Å; V203-H212 PolarHBondContact O-N 3.1Å; V203-V248 HydrophobicContact CB-CG1 4.27Å; V203-V248 HydrophobicContact CG2-CG1 4.08Å |
| 204 | M | 94.4 | Very high | 95.2 | Very high | 69 Ų | 69 | 59 Ų | 59 | 34% | 0.34 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 138.9 | 172.8 | -64.4 | -67.6 | -179.6 | 0 | 0 | 109.7 | A186 L190 M211 | A186-M204 HydrophobicContact CB-CE 3.99Å; A186-M204 HydrophobicContact CB-SD 4.05Å; L190-M204 HydrophobicContact CB-CE 4.39Å; L190-M204 HydrophobicContact CD2-CE 4.18Å; M204-M211 HydrophobicContact CE-SD 3.69Å; M204-M211 HydrophobicContact SD-CB 3.63Å; M204-M211 HydrophobicContact SD-CG 4.27Å; M204-M211 HydrophobicContact SD-SD 3.79Å |
| 205 | S | 92.3 | Very high | 95.2 | Very high | 23 Ų | 23 | 56.5 Ų | 56.5 | 16% | 0.161 | 29% | 0.294 | C | S | . | . | trans | -68.8 | 139.9 | 166.3 | -175.7 | 0 | 0 | 0 | 0 | 110.4 | T207 G208 W210 | S205-T207 PolarHBondContact OG-N 3.22Å; S205-G208 PolarHBondContact OG-N 2.86Å; S205-G208 VanDerWaalsContact OG-N 3.16Å; S205-W210 WeakPolarHBondContact CB-O 3.48Å; S205-W210 PolarHBondContact N-O 2.84Å | ||
| 206 | N | 86.7 | Confident | 95.2 | Very high | 148 Ų | 148 | 56.6 Ų | 56.6 | 79% | 0.791 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -90 | -6.9 | 174.1 | 64 | -10.6 | 0 | 0 | 0 | 113.1 | ||
| 207 | T | 86.7 | Confident | 95.2 | Very high | 117 Ų | 117 | 57.4 Ų | 57.4 | 72% | 0.718 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -132.8 | 2.9 | -169.7 | 40.5 | 0 | 0 | 0 | 0 | 112.9 | S205 | S205-T207 PolarHBondContact OG-N 3.22Š|
| 208 | G | 90.4 | Very high | 95.1 | Very high | 25 Ų | 25 | 61.8 Ų | 61.8 | 26% | 0.258 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -157.3 | 165.7 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | S205 W210 | S205-G208 PolarHBondContact OG-N 2.86Å; S205-G208 VanDerWaalsContact OG-N 3.16Å; G208-W210 VanDerWaalsContact CA-CZ3 3.47Å; G208-W210 PolarHBondContact O-N 3.43Å; G208-W210 VanDerWaalsContact O-N 3.08Å |
| 209 | N | 95.8 | Very high | 95.1 | Very high | 81 Ų | 81 | 63.9 Ų | 63.9 | 43% | 0.433 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -84.6 | 42.3 | -177.8 | 66.1 | -27.1 | 0 | 0 | 0 | 113 | F179 G180 F181 | F179-N209 VanDerWaalsContact CA-O 3.29Å; F179-N209 WeakPolarHBondContact CA-O 3.43Å; G180-N209 PolarHBondContact N-O 3.48Å; G180-N209 VanDerWaalsContact N-O 3.16Å; F181-N209 WeakPolarHBondContact O-CB 3.43Å |
| 210 | W | 96.8 | Very high | 95.1 | Very high | 97 Ų | 97 | 64 Ų | 64 | 37% | 0.367 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 159.1 | -175.5 | 64.3 | 86.4 | 0 | 0 | 0 | 113.9 | T177 V178 F179 S205 G208 H212 | T177-W210 HydrophobicContact CG2-CB 4.23Å; V178-W210 CarbonylContact O-C 3.52Å; V178-W210 WeakPolarHBondContact O-CA 3.38Å; V178-W210 WeakPolarHBondContact O-CB 3.38Å; F179-W210 HydrophobicContact CB-CB 3.63Å; S205-W210 WeakPolarHBondContact CB-O 3.48Å; S205-W210 PolarHBondContact N-O 2.84Å; G208-W210 VanDerWaalsContact CA-CZ3 3.47Å; G208-W210 PolarHBondContact O-N 3.43Å; G208-W210 VanDerWaalsContact O-N 3.08Å; W210-H212 AromaticContact CD1-NE2 3.61Å; W210-H212 AromaticContact NE1-NE2 3.8Å |
| 211 | M | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 149.4 | 173.5 | 63.9 | 179 | 159.9 | 0 | 0 | 111 | T177 V178 F181 I189 L190 V203 M204 I213 | T177-M211 WeakPolarHBondContact CA-O 3.44Å; V178-M211 HydrophobicContact CB-CE 4.05Å; V178-M211 HydrophobicContact CB-CG 4.07Å; V178-M211 HydrophobicContact CG1-CE 4.02Å; V178-M211 HydrophobicContact CG2-CE 4.49Å; V178-M211 PolarHBondContact N-O 2.82Å; V178-M211 PolarHBondContact O-N 3.14Å; F181-M211 HydrophobicContact CE1-CE 3.86Å; F181-M211 HydrophobicContact CE1-CG 3.96Å; F181-M211 HydrophobicContact CE1-SD 4.47Å; F181-M211 HydrophobicContact CZ-CB 4.08Å; F181-M211 HydrophobicContact CZ-CE 4.09Å; F181-M211 HydrophobicContact CZ-CG 3.74Å; F181-M211 HydrophobicContact CZ-SD 4.17Å; I189-M211 HydrophobicContact CB-CE 3.96Å; I189-M211 HydrophobicContact CG2-CE 3.56Å; L190-M211 HydrophobicContact CB-CE 4.35Å; L190-M211 HydrophobicContact CB-SD 4.25Å; L190-M211 HydrophobicContact CD1-SD 4.14Å; V203-M211 CarbonylContact O-C 3.48Å; V203-M211 VanDerWaalsContact O-CA 3.26Å; V203-M211 WeakPolarHBondContact O-CA 3.44Å; V203-M211 WeakPolarHBondContact O-CB 3.38Å; M204-M211 HydrophobicContact CE-SD 3.69Å; M204-M211 HydrophobicContact SD-CB 3.63Å; M204-M211 HydrophobicContact SD-CG 4.27Å; M204-M211 HydrophobicContact SD-SD 3.79Å; M211-I213 HydrophobicContact CE-CD1 4.06Å; M211-I213 HydrophobicContact CG-CD1 4.44Å; M211-I213 HydrophobicContact CG-CG1 4.32Å; M211-I213 HydrophobicContact SD-CD1 4.13Å; M211-I213 HydrophobicContact SD-CG1 4.39Å |
| 212 | H | 97.2 | Very high | 95.3 | Very high | 16 Ų | 16 | 64.3 Ų | 64.3 | 7% | 0.074 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 136 | 174.4 | -50.1 | -80.5 | 0 | 0 | 0 | 109.3 | W175 V176 T177 H202 V203 W210 C243 V248 | W175-H212 HydrophobicContact CE3-CB 4.01Å; W175-H212 HydrophobicContact CZ3-CB 3.98Å; V176-H212 CarbonylContact O-C 3.51Å; V176-H212 WeakPolarHBondContact O-CA 3.46Å; T177-H212 PolarHBondContact OG1-CE1 3.11Å; T177-H212 PolarHBondContact OG1-ND1 2.96Å; H202-H212 CarbonylContact C-O 3.58Å; H202-H212 WeakPolarHBondContact CA-O 3.2Å; V203-H212 PolarHBondContact N-O 3.44Å; V203-H212 PolarHBondContact O-N 3.1Å; W210-H212 AromaticContact CD1-NE2 3.61Å; W210-H212 AromaticContact NE1-NE2 3.8Å; H212-C243 PolarHBondContact ND1-SG 3.37Å; H212-C243 VanDerWaalsContact ND1-SG 3.4Å; H212-V248 HydrophobicContact CB-CG1 3.77Å |
| 213 | I | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 122.6 | -177.4 | -59.1 | -178.1 | 0 | 0 | 0 | 109 | W175 V176 V178 L190 F193 I199 H202 M211 Y215 | W175-I213 VanDerWaalsContact CA-O 3.31Å; W175-I213 WeakPolarHBondContact CA-O 3.18Å; V176-I213 HydrophobicContact CG2-CB 4.05Å; V176-I213 PolarHBondContact N-O 3.37Å; V176-I213 PolarHBondContact O-N 2.96Å; V178-I213 HydrophobicContact CG2-CD1 3.79Å; V178-I213 HydrophobicContact CG2-CG1 4.35Å; L190-I213 HydrophobicContact CD1-CD1 3.95Å; L190-I213 HydrophobicContact CD1-CG1 4.37Å; F193-I213 HydrophobicContact CB-CD1 3.88Å; F193-I213 HydrophobicContact CD1-CD1 4.28Å; F193-I213 HydrophobicContact CG-CD1 4.28Å; I199-I213 HydrophobicContact CB-CG2 4.35Å; I199-I213 HydrophobicContact CD1-CD1 4.43Å; I199-I213 HydrophobicContact CD1-CG2 3.78Å; I199-I213 HydrophobicContact CG1-CG2 3.71Å; I199-I213 HydrophobicContact CG2-CG2 3.84Å; H202-I213 HydrophobicContact CB-CG1 4.32Å; M211-I213 HydrophobicContact CE-CD1 4.06Å; M211-I213 HydrophobicContact CG-CD1 4.44Å; M211-I213 HydrophobicContact CG-CG1 4.32Å; M211-I213 HydrophobicContact SD-CD1 4.13Å; M211-I213 HydrophobicContact SD-CG1 4.39Å; I213-Y215 HydrophobicContact CG2-CD2 4.19Å; I213-Y215 HydrophobicContact CG2-CE1 4.44Å; I213-Y215 HydrophobicContact CG2-CE2 3.84Å |
| 214 | R | 97.1 | Very high | 95.6 | Very high | 39 Ų | 39 | 62.8 Ų | 62.8 | 15% | 0.147 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 119.8 | 168.6 | -162.9 | -178.9 | -154.1 | 172.7 | 15 | 109.4 | D172 S174 W175 L200 K201 D253 | D172-R214 IonicContact OD2-CZ 3.48Å; D172-R214 IonicContact OD2-NE 2.72Å; D172-R214 PolarHBondContact OD2-NE 3.46Å; D172-R214 IonicContact OD2-NH2 3.29Å; D172-R214 PolarHBondContact OD2-NH2 3.11Å; S174-R214 WeakPolarHBondContact OG-CG 3.3Å; W175-R214 HydrophobicContact CD2-CB 3.68Å; W175-R214 HydrophobicContact CD2-CG 3.99Å; W175-R214 HydrophobicContact CE3-CB 3.94Å; W175-R214 HydrophobicContact CG-CB 4.28Å; W175-R214 HydrophobicContact CG-CG 4.22Å; W175-R214 HydrophobicContact CH2-CB 3.96Å; W175-R214 HydrophobicContact CZ2-CB 3.67Å; W175-R214 HydrophobicContact CZ2-CG 3.94Å; W175-R214 HydrophobicContact CZ3-CB 4.08Å; L200-R214 HydrophobicContact CB-CB 4.5Å; L200-R214 PolarHBondContact N-O 3.48Å; K201-R214 HydrophobicContact CB-CB 4.27Å; K201-R214 PolarHBondContact O-N 3.21Å; R214-D253 IonicContact CZ-OD1 3.9Å; R214-D253 IonicContact CZ-OD2 3.54Å; R214-D253 IonicContact NH1-OD1 3.79Å; R214-D253 PolarHBondContact NH1-OD1 2.92Å; R214-D253 IonicContact NH1-OD2 2.73Å; R214-D253 IonicContact NH2-OD1 3.1Å; R214-D253 PolarHBondContact NH2-OD1 3Å; R214-D253 IonicContact NH2-OD2 3.19Å; R214-D253 PolarHBondContact NH2-OD2 3.49Å; R214-D253 VanDerWaalsContact NH2-OD2 3.1Å |
| 215 | Y | 98.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 61.9 Ų | 61.9 | 0% | 0.004 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 166.4 | 171 | -76.3 | -75.4 | 0 | 0 | 0 | 112.2 | S174 V176 F193 N198 I199 I213 S217 Q220 A221 A224 | S174-Y215 WeakPolarHBondContact CB-O 3.29Å; S174-Y215 PolarHBondContact O-N 3.14Å; V176-Y215 HydrophobicContact CG2-CD2 4.4Å; V176-Y215 HydrophobicContact CG2-CE2 3.85Å; F193-Y215 WeakPolarHBondContact CB-OH 3.48Å; F193-Y215 PolarHBondContact O-OH 2.92Å; N198-Y215 CarbonylContact O-C 3.55Å; N198-Y215 WeakPolarHBondContact O-CA 3.41Å; I199-Y215 HydrophobicContact CD1-CE1 4.49Å; I199-Y215 HydrophobicContact CG1-CD1 4.17Å; I199-Y215 HydrophobicContact CG1-CE1 3.78Å; I213-Y215 HydrophobicContact CG2-CD2 4.19Å; I213-Y215 HydrophobicContact CG2-CE1 4.44Å; I213-Y215 HydrophobicContact CG2-CE2 3.84Å; Y215-S217 VanDerWaalsContact C-N 3.26Å; Y215-S217 PolarHBondContact O-N 2.85Å; Y215-Q220 HydrophobicContact CD1-CB 3.8Å; Y215-Q220 HydrophobicContact CG-CB 3.83Å; Y215-A221 HydrophobicContact CD2-CB 4.07Å; Y215-A224 HydrophobicContact CE2-CB 3.52Å |
| 216 | Q | 96.6 | Very high | 96 | Very high | 118 Ų | 118 | 64 Ų | 64 | 55% | 0.551 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -73.2 | -16.6 | 173.6 | -168.1 | 177.6 | 13.4 | 0 | 0 | 113.1 | N198 L200 Q220 | N198-Q216 HydrophobicContact CB-CB 4.02Å; N198-Q216 PolarHBondContact ND2-OE1 3.07Å; N198-Q216 PolarHBondContact O-N 2.94Å; L200-Q216 HydrophobicContact CD1-CB 4.44Å; L200-Q216 HydrophobicContact CD2-CB 4.16Å; L200-Q216 HydrophobicContact CD2-CG 4.27Å; L200-Q216 HydrophobicContact CG-CB 4.2Å; Q216-Q220 VanDerWaalsContact N-OE1 3.16Å |
| 217 | S | 96.8 | Very high | 96.6 | Very high | 48 Ų | 48 | 58.8 Ų | 58.8 | 34% | 0.336 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -153.9 | 154.6 | 174.9 | 75.3 | 0 | 0 | 0 | 0 | 114.5 | Y215 L219 Q220 A221 | Y215-S217 VanDerWaalsContact C-N 3.26Å; Y215-S217 PolarHBondContact O-N 2.85Å; S217-L219 PolarHBondContact O-N 3.45Å; S217-L219 VanDerWaalsContact O-N 3.14Å; S217-Q220 WeakPolarHBondContact O-CB 3.44Å; S217-Q220 PolarHBondContact O-N 3.38Å; S217-Q220 PolarHBondContact OG-N 2.82Å; S217-A221 PolarHBondContact O-N 3.16Å; S217-A221 VanDerWaalsContact O-N 3.11Å |
| 218 | K | 96.1 | Very high | 97.1 | Very high | 106 Ų | 106 | 56.4 Ų | 56.4 | 46% | 0.461 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -53 | -30.7 | 172.6 | -179.8 | 166.7 | -167.1 | 164.3 | 0 | 113.3 | D173 R222 | D173-K218 HydrophobicContact CB-CB 4.2Å; D173-K218 HydrophobicContact CB-CD 3.49Å; D173-K218 VanDerWaalsContact CB-CD 3.49Å; D173-K218 HydrophobicContact CB-CG 3.76Å; D173-K218 WeakPolarHBondContact OD1-CE 3.45Å; D173-K218 IonicContact OD1-NZ 2.65Å; D173-K218 PolarHBondContact OD1-NZ 2.9Å; D173-K218 WeakPolarHBondContact OD2-CE 3.39Å; D173-K218 IonicContact OD2-NZ 2.81Å; D173-K218 PolarHBondContact OD2-NZ 2.84Å; K218-R222 WeakPolarHBondContact O-CB 3.46Å; K218-R222 VanDerWaalsContact O-CG 3.27Å; K218-R222 WeakPolarHBondContact O-CG 3.45Å; K218-R222 PolarHBondContact O-N 2.91Å |
| 219 | L | 97.6 | Very high | 97.4 | Very high | 128 Ų | 128 | 57.4 Ų | 57.4 | 67% | 0.67 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -71 | -37.1 | 177 | -175.4 | 60.5 | 0 | 0 | 0 | 112.3 | S217 R222 K223 | S217-L219 PolarHBondContact O-N 3.45Å; S217-L219 VanDerWaalsContact O-N 3.14Å; L219-R222 PolarHBondContact O-N 2.84Å; L219-K223 PolarHBondContact O-N 3.08Å |
| 220 | Q | 98.1 | Very high | 97.4 | Very high | 41 Ų | 41 | 60.5 Ų | 60.5 | 19% | 0.192 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.7 | -43.7 | 174.6 | -68.5 | 173 | 3 | 0 | 0 | 110.9 | G197 N198 Y215 Q216 S217 R222 K223 A224 | G197-Q220 VanDerWaalsContact CA-CD 3.49Å; N198-Q220 PolarHBondContact O-OE1 2.62Å; Y215-Q220 HydrophobicContact CD1-CB 3.8Å; Y215-Q220 HydrophobicContact CG-CB 3.83Å; Q216-Q220 VanDerWaalsContact N-OE1 3.16Å; S217-Q220 WeakPolarHBondContact O-CB 3.44Å; S217-Q220 PolarHBondContact O-N 3.38Å; S217-Q220 PolarHBondContact OG-N 2.82Å; Q220-R222 PolarHBondContact O-N 3.21Å; Q220-K223 WeakPolarHBondContact O-CB 3.26Å; Q220-K223 PolarHBondContact O-N 2.93Å; Q220-K223 VanDerWaalsContact O-N 3.11Å; Q220-A224 PolarHBondContact O-N 3.02Å |
| 221 | A | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.4 | -45.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112 | D173 V176 Y215 S217 K223 A224 L225 | D173-A221 WeakPolarHBondContact O-CB 3.37Å; V176-A221 HydrophobicContact CG1-CB 4.01Å; Y215-A221 HydrophobicContact CD2-CB 4.07Å; S217-A221 PolarHBondContact O-N 3.16Å; S217-A221 VanDerWaalsContact O-N 3.11Å; A221-K223 VanDerWaalsContact C-N 3.31Å; A221-K223 PolarHBondContact O-N 2.87Å; A221-A224 WeakPolarHBondContact O-CB 3.37Å; A221-A224 PolarHBondContact O-N 2.96Å; A221-A224 VanDerWaalsContact O-N 3.1Å; A221-L225 WeakPolarHBondContact O-CG 3.47Å; A221-L225 PolarHBondContact O-N 2.87Å |
| 222 | R | 97.8 | Very high | 97.3 | Very high | 164 Ų | 164 | 61.4 Ų | 61.4 | 62% | 0.619 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -61.1 | -35.1 | 173.1 | -73.5 | 178.4 | 71.8 | -165.5 | 2.5 | 113.3 | K218 L219 Q220 L225 S226 | K218-R222 WeakPolarHBondContact O-CB 3.46Å; K218-R222 VanDerWaalsContact O-CG 3.27Å; K218-R222 WeakPolarHBondContact O-CG 3.45Å; K218-R222 PolarHBondContact O-N 2.91Å; L219-R222 PolarHBondContact O-N 2.84Å; Q220-R222 PolarHBondContact O-N 3.21Å; R222-L225 PolarHBondContact O-N 2.86Å; R222-S226 PolarHBondContact O-N 2.98Å |
| 223 | K | 98.1 | Very high | 97 | Very high | 98 Ų | 98 | 62.5 Ų | 62.5 | 43% | 0.426 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67.5 | -35.2 | 173.4 | -177.5 | 176.3 | 157.9 | -152.2 | 0 | 111.7 | Q195 Y196 L219 Q220 A221 S226 | Q195-K223 PolarHBondContact O-NZ 3.36Å; Y196-K223 WeakPolarHBondContact O-CD 3.19Å; Y196-K223 PolarHBondContact O-NZ 2.84Å; Y196-K223 VanDerWaalsContact O-NZ 3.09Å; L219-K223 PolarHBondContact O-N 3.08Å; Q220-K223 WeakPolarHBondContact O-CB 3.26Å; Q220-K223 PolarHBondContact O-N 2.93Å; Q220-K223 VanDerWaalsContact O-N 3.11Å; A221-K223 VanDerWaalsContact C-N 3.31Å; A221-K223 PolarHBondContact O-N 2.87Å; K223-S226 PolarHBondContact O-OG 2.85Å |
| 224 | A | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -69.6 | -43.5 | 171 | 0 | 0 | 0 | 0 | 0 | 112.5 | V176 F193 Y196 Y215 Q220 A221 S226 K227 | V176-A224 HydrophobicContact CG1-CB 4.47Å; V176-A224 HydrophobicContact CG2-CB 4.32Å; F193-A224 HydrophobicContact CD1-CB 3.96Å; F193-A224 HydrophobicContact CE1-CB 4Å; Y196-A224 HydrophobicContact CD2-CB 4.37Å; Y215-A224 HydrophobicContact CE2-CB 3.52Å; Q220-A224 PolarHBondContact O-N 3.02Å; A221-A224 WeakPolarHBondContact O-CB 3.37Å; A221-A224 PolarHBondContact O-N 2.96Å; A221-A224 VanDerWaalsContact O-N 3.1Å; A224-S226 PolarHBondContact O-N 3.24Å; A224-K227 VanDerWaalsContact O-CB 3.26Å; A224-K227 WeakPolarHBondContact O-CB 3.22Å; A224-K227 WeakPolarHBondContact O-CG 3.05Å; A224-K227 PolarHBondContact O-N 2.92Å |
| 225 | L | 98.1 | Very high | 96.7 | Very high | 49 Ų | 49 | 74.9 Ų | 74.9 | 26% | 0.257 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58.1 | -30.5 | 174.6 | -70.6 | 164 | 0 | 0 | 0 | 112.6 | V176 A221 R222 K227 D228 V240 P242 | V176-L225 HydrophobicContact CG1-CD1 4.27Å; V176-L225 HydrophobicContact CG1-CD2 4.04Å; V176-L225 HydrophobicContact CG1-CG 3.8Å; A221-L225 WeakPolarHBondContact O-CG 3.47Å; A221-L225 PolarHBondContact O-N 2.87Å; R222-L225 PolarHBondContact O-N 2.86Å; L225-K227 PolarHBondContact O-N 2.59Å; L225-D228 PolarHBondContact O-N 3.1Å; L225-V240 HydrophobicContact CD2-CG1 4.07Å; L225-P242 HydrophobicContact CD2-CG 4.25Å |
| 226 | S | 97.9 | Very high | 96.7 | Very high | 69 Ų | 69 | 75.5 Ų | 75.5 | 48% | 0.483 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | 9.7 | 171 | 82.4 | 0 | 0 | 0 | 0 | 115.1 | R222 K223 A224 | R222-S226 PolarHBondContact O-N 2.98Å; K223-S226 PolarHBondContact O-OG 2.85Å; A224-S226 PolarHBondContact O-N 3.24Å |
| 227 | K | 97.7 | Very high | 96.7 | Very high | 37 Ų | 37 | 75.4 Ų | 75.4 | 16% | 0.161 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | 4.6 | 177.8 | -49.6 | -67.9 | 166.6 | -108.6 | 0 | 113.7 | F193 Y196 A224 L225 G229 R230 F232 V240 | F193-K227 HydrophobicContact CZ-CB 4.31Å; Y196-K227 HydrophobicContact CD2-CG 4.15Å; Y196-K227 HydrophobicContact CE2-CB 4.47Å; Y196-K227 HydrophobicContact CE2-CD 4.21Å; Y196-K227 HydrophobicContact CE2-CG 3.61Å; A224-K227 VanDerWaalsContact O-CB 3.26Å; A224-K227 WeakPolarHBondContact O-CB 3.22Å; A224-K227 WeakPolarHBondContact O-CG 3.05Å; A224-K227 PolarHBondContact O-N 2.92Å; L225-K227 PolarHBondContact O-N 2.59Å; K227-G229 PolarHBondContact O-N 2.95Å; K227-R230 HydrophobicContact CB-CB 4.4Å; K227-R230 HydrophobicContact CB-CG 4.04Å; K227-R230 HydrophobicContact CD-CG 4.11Å; K227-R230 VanDerWaalsContact O-CB 3.24Å; K227-R230 WeakPolarHBondContact O-CB 3.39Å; K227-R230 WeakPolarHBondContact O-CG 3.2Å; K227-R230 PolarHBondContact O-N 2.85Å; K227-F232 HydrophobicContact CB-CZ 4.37Å; K227-V240 HydrophobicContact CB-CG2 4.29Å |
| 228 | D | 97.6 | Very high | 96.8 | Very high | 68 Ų | 68 | 73.1 Ų | 73.1 | 36% | 0.364 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 130 | 167.1 | -166.7 | 42.8 | 0 | 0 | 0 | 110.5 | L225 R230 G239 V240 K241 | L225-D228 PolarHBondContact O-N 3.1Å; D228-R230 VanDerWaalsContact C-N 3.29Å; D228-R230 PolarHBondContact O-N 3.34Å; D228-G239 WeakPolarHBondContact OD1-CA 3.4Å; D228-V240 HydrophobicContact CB-CB 4.3Å; D228-V240 WeakPolarHBondContact CB-O 3.38Å; D228-V240 PolarHBondContact OD1-N 3.18Å; D228-K241 IonicContact OD1-NZ 2.67Å; D228-K241 IonicContact OD2-NZ 2.85Å; D228-K241 PolarHBondContact OD2-NZ 3.24Å |
| 229 | G | 96.6 | Very high | 96.9 | Very high | 45 Ų | 45 | 68.5 Ų | 68.5 | 46% | 0.464 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | 4.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116 | K227 I238 | K227-G229 PolarHBondContact O-N 2.95Å; G229-I238 WeakPolarHBondContact CA-O 3.31Å; G229-I238 PolarHBondContact N-O 2.9Å |
| 230 | R | 97.3 | Very high | 96.9 | Very high | 146 Ų | 146 | 62.5 Ų | 62.5 | 55% | 0.551 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 140.5 | 178.1 | -68 | -74.4 | -68.7 | -142.8 | -0.6 | 111.5 | K227 D228 F232 I238 | K227-R230 HydrophobicContact CB-CB 4.4Å; K227-R230 HydrophobicContact CB-CG 4.04Å; K227-R230 HydrophobicContact CD-CG 4.11Å; K227-R230 VanDerWaalsContact O-CB 3.24Å; K227-R230 WeakPolarHBondContact O-CB 3.39Å; K227-R230 WeakPolarHBondContact O-CG 3.2Å; K227-R230 PolarHBondContact O-N 2.85Å; D228-R230 VanDerWaalsContact C-N 3.29Å; D228-R230 PolarHBondContact O-N 3.34Å; R230-F232 HydrophobicContact CB-CD2 4.29Å; R230-F232 HydrophobicContact CB-CE2 3.74Å; R230-F232 HydrophobicContact CB-CZ 4.45Å; R230-I238 PolarHBondContact O-N 2.94Å |
| 231 | I | 96.8 | Very high | 96.9 | Very high | 98 Ų | 98 | 64 Ų | 64 | 50% | 0.503 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 134.6 | 171.1 | -57 | 175.8 | 0 | 0 | 0 | 109.7 | I236 M237 | I231-I236 CarbonylContact C-O 3.58Å; I231-I236 WeakPolarHBondContact CA-O 3.49Å; I231-M237 HydrophobicContact CD1-CE 4.28Å; I231-M237 HydrophobicContact CG1-CB 4.27Å; I231-M237 HydrophobicContact CG1-CE 4.22Å; I231-M237 HydrophobicContact CG1-CG 4.48Å |
| 232 | F | 94.3 | Very high | 96.8 | Very high | 18 Ų | 18 | 67.3 Ų | 67.3 | 8% | 0.079 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 150.4 | 175.4 | -69.4 | -97.8 | 0 | 0 | 0 | 109.8 | Y188 I189 Q192 F193 Y196 K227 R230 E234 S235 I236 I238 | Y188-F232 HydrophobicContact CE1-CB 4.24Å; I189-F232 HydrophobicContact CD1-CB 3.96Å; I189-F232 HydrophobicContact CD1-CG 4.38Å; Q192-F232 HydrophobicContact CB-CD1 4.02Å; Q192-F232 HydrophobicContact CB-CE1 3.84Å; Q192-F232 HydrophobicContact CG-CD1 3.86Å; Q192-F232 HydrophobicContact CG-CE1 4.17Å; F193-F232 HydrophobicContact CE2-CE2 4.21Å; F193-F232 AromaticContact CE2-CZ 3.98Å; F193-F232 HydrophobicContact CE2-CZ 3.98Å; Y196-F232 HydrophobicContact CE2-CZ 4.29Å; Y196-F232 VanDerWaalsContact OH-CE1 3.23Å; Y196-F232 WeakPolarHBondContact OH-CE1 3.22Å; Y196-F232 VanDerWaalsContact OH-CZ 3.32Å; Y196-F232 WeakPolarHBondContact OH-CZ 3.24Å; K227-F232 HydrophobicContact CB-CZ 4.37Å; R230-F232 HydrophobicContact CB-CD2 4.29Å; R230-F232 HydrophobicContact CB-CE2 3.74Å; R230-F232 HydrophobicContact CB-CZ 4.45Å; F232-E234 PolarHBondContact O-N 3.29Å; F232-E234 VanDerWaalsContact O-N 3.09Å; F232-S235 PolarHBondContact O-N 2.73Å; F232-I236 PolarHBondContact N-O 2.83Å; F232-I236 WeakPolarHBondContact O-CB 3.35Å; F232-I236 PolarHBondContact O-N 3.34Å; F232-I238 HydrophobicContact CB-CG1 4.5Å; F232-I238 HydrophobicContact CD2-CB 3.9Å; F232-I238 HydrophobicContact CD2-CG1 3.41Å; F232-I238 VanDerWaalsContact CD2-CG1 3.41Å; F232-I238 HydrophobicContact CE2-CB 3.96Å; F232-I238 HydrophobicContact CE2-CG1 3.9Å; F232-I238 HydrophobicContact CE2-CG2 4.48Å; F232-I238 HydrophobicContact CG-CG1 4.25Å |
| 233 | G | 91.4 | Very high | 96.6 | Very high | 39 Ų | 39 | 59.7 Ų | 59.7 | 40% | 0.402 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 30.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y188 S235 | Y188-G233 PolarHBondContact OH-N 3.1Å; G233-S235 PolarHBondContact O-N 2.72Å; G233-S235 PolarHBondContact O-OG 2.85Å |
| 234 | E | 93.6 | Very high | 96.4 | Very high | 199 Ų | 199 | 56.2 Ų | 56.2 | 93% | 0.93 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | -2.5 | -178.2 | -66.9 | 162.2 | -170.5 | 0 | 0 | 116.4 | F232 | F232-E234 PolarHBondContact O-N 3.29Å; F232-E234 VanDerWaalsContact O-N 3.09Å |
| 235 | S | 95.3 | Very high | 96 | Very high | 100 Ų | 100 | 58.6 Ų | 58.6 | 70% | 0.699 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139.7 | -14.9 | -166.6 | 54.2 | 0 | 0 | 0 | 0 | 114.6 | F232 G233 | F232-S235 PolarHBondContact O-N 2.73Å; G233-S235 PolarHBondContact O-N 2.72Å; G233-S235 PolarHBondContact O-OG 2.85Å |
| 236 | I | 96.3 | Very high | 95.5 | Very high | 14 Ų | 14 | 60.6 Ų | 60.6 | 7% | 0.072 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 104.5 | -173.9 | -50 | 172.3 | 0 | 0 | 0 | 109.6 | F181 P182 I189 I231 F232 I238 | F181-I236 HydrophobicContact CB-CG2 3.9Å; P182-I236 HydrophobicContact CG-CD1 4.37Å; I189-I236 HydrophobicContact CD1-CD1 4.41Å; I189-I236 HydrophobicContact CD1-CG2 4.5Å; I231-I236 CarbonylContact C-O 3.58Å; I231-I236 WeakPolarHBondContact CA-O 3.49Å; F232-I236 PolarHBondContact N-O 2.83Å; F232-I236 WeakPolarHBondContact O-CB 3.35Å; F232-I236 PolarHBondContact O-N 3.34Å; I236-I238 HydrophobicContact CG2-CD1 3.61Å; I236-I238 HydrophobicContact CG2-CG1 4.25Å |
| 237 | M | 97.6 | Very high | 95 | Very high | 117 Ų | 117 | 61.1 Ų | 61.1 | 58% | 0.576 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 120.5 | 170.4 | -173.6 | 178.6 | -70.8 | 0 | 0 | 110 | I231 | I231-M237 HydrophobicContact CD1-CE 4.28Å; I231-M237 HydrophobicContact CG1-CB 4.27Å; I231-M237 HydrophobicContact CG1-CE 4.22Å; I231-M237 HydrophobicContact CG1-CG 4.48Å |
| 238 | I | 98.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 128 | -176.6 | -63.2 | -63.9 | 0 | 0 | 0 | 110.9 | V178 F179 F181 I189 F193 G229 R230 F232 I236 V240 | V178-I238 HydrophobicContact CG1-CG2 3.53Å; F179-I238 WeakPolarHBondContact O-CA 3.48Å; F181-I238 HydrophobicContact CB-CD1 3.81Å; F181-I238 HydrophobicContact CD1-CD1 4Å; F181-I238 HydrophobicContact CG-CD1 4.41Å; I189-I238 HydrophobicContact CD1-CD1 3.76Å; I189-I238 HydrophobicContact CD1-CG1 4.08Å; I189-I238 HydrophobicContact CG1-CD1 3.94Å; I189-I238 HydrophobicContact CG2-CD1 3.97Å; I189-I238 HydrophobicContact CG2-CG1 4.46Å; F193-I238 HydrophobicContact CE2-CG2 4.03Å; F193-I238 HydrophobicContact CZ-CG2 3.8Å; G229-I238 WeakPolarHBondContact CA-O 3.31Å; G229-I238 PolarHBondContact N-O 2.9Å; R230-I238 PolarHBondContact O-N 2.94Å; F232-I238 HydrophobicContact CB-CG1 4.5Å; F232-I238 HydrophobicContact CD2-CB 3.9Å; F232-I238 HydrophobicContact CD2-CG1 3.41Å; F232-I238 VanDerWaalsContact CD2-CG1 3.41Å; F232-I238 HydrophobicContact CE2-CB 3.96Å; F232-I238 HydrophobicContact CE2-CG1 3.9Å; F232-I238 HydrophobicContact CE2-CG2 4.48Å; F232-I238 HydrophobicContact CG-CG1 4.25Å; I236-I238 HydrophobicContact CG2-CD1 3.61Å; I236-I238 HydrophobicContact CG2-CG1 4.25Å; I238-V240 HydrophobicContact CG2-CG2 3.85Å |
| 239 | G | 98 | Very high | 94.1 | Very high | 8 Ų | 8 | 57.5 Ų | 57.5 | 8% | 0.082 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 143.1 | 163.9 | 0 | 0 | 0 | 0 | 0 | 111 | V178 F179 D228 | V178-G239 WeakPolarHBondContact CA-O 3.38Å; F179-G239 PolarHBondContact N-O 3.29Å; F179-G239 PolarHBondContact O-N 3.15Å; D228-G239 WeakPolarHBondContact OD1-CA 3.4Å |
| 240 | V | 98.3 | Very high | 93.5 | Very high | 3 Ų | 3 | 60 Ų | 60 | 2% | 0.018 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 119.2 | 175.2 | -163.1 | 0 | 0 | 0 | 0 | 109.7 | V176 T177 V178 F193 L225 K227 D228 I238 | V176-V240 HydrophobicContact CB-CG1 4.01Å; V176-V240 HydrophobicContact CG1-CG1 4.42Å; V176-V240 HydrophobicContact CG2-CG1 4.27Å; T177-V240 WeakPolarHBondContact O-CA 3.45Å; V178-V240 HydrophobicContact CG2-CG1 4.38Å; F193-V240 HydrophobicContact CE1-CG1 4.09Å; F193-V240 HydrophobicContact CE1-CG2 3.69Å; F193-V240 HydrophobicContact CZ-CG2 3.51Å; L225-V240 HydrophobicContact CD2-CG1 4.07Å; K227-V240 HydrophobicContact CB-CG2 4.29Å; D228-V240 HydrophobicContact CB-CB 4.3Å; D228-V240 WeakPolarHBondContact CB-O 3.38Å; D228-V240 PolarHBondContact OD1-N 3.18Å; I238-V240 HydrophobicContact CG2-CG2 3.85Å |
| 241 | K | 97.6 | Very high | 92.5 | Very high | 72 Ų | 72 | 55.7 Ų | 55.7 | 31% | 0.313 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 162.6 | 178.2 | -55.1 | -68.4 | 178.5 | -168.4 | 0 | 110.4 | F158 V176 T177 F179 D228 | F158-K241 HydrophobicContact CE1-CB 4.18Å; F158-K241 HydrophobicContact CE2-CB 3.59Å; F158-K241 HydrophobicContact CE2-CG 4.17Å; F158-K241 HydrophobicContact CZ-CB 3.37Å; F158-K241 HydrophobicContact CZ-CG 4.09Å; V176-K241 CarbonylContact C-O 3.54Å; V176-K241 WeakPolarHBondContact CA-O 3.46Å; T177-K241 PolarHBondContact N-O 3.33Å; T177-K241 PolarHBondContact O-N 2.93Å; F179-K241 HydrophobicContact CE1-CG 3.79Å; F179-K241 HydrophobicContact CZ-CG 4.32Å; D228-K241 IonicContact OD1-NZ 2.67Å; D228-K241 IonicContact OD2-NZ 2.85Å; D228-K241 PolarHBondContact OD2-NZ 3.24Å |
| 242 | P | 95.9 | Very high | 91 | Very high | 69 Ų | 69 | 51.7 Ų | 51.7 | 45% | 0.448 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.2 | 149.1 | 170.9 | -23.3 | 35.1 | 0 | 0 | 0 | 110.8 | F158 L225 | F158-P242 WeakPolarHBondContact CZ-O 3.5Å; L225-P242 HydrophobicContact CD2-CG 4.25Å |
| 243 | C | 94.8 | Very high | 89.5 | Confident | 4 Ų | 4 | 54.3 Ų | 54.3 | 3% | 0.027 | 31% | 0.305 | C | S | . | . | trans | -77.2 | 129.9 | 174.1 | -167.5 | 0 | 0 | 0 | 0 | 110.6 | W175 H212 M249 | W175-C243 HydrophobicContact CB-CB 3.4Å; W175-C243 VanDerWaalsContact CB-CB 3.4Å; W175-C243 HydrophobicContact CG-CB 4.37Å; W175-C243 PolarHBondContact O-N 3.3Å; H212-C243 PolarHBondContact ND1-SG 3.37Å; H212-C243 VanDerWaalsContact ND1-SG 3.4Å; C243-M249 HydrophobicContact CB-CE 4.41Å; C243-M249 WeakPolarHBondContact O-CE 3.39Å | ||
| 244 | I | 92.8 | Very high | 87.9 | Confident | 26 Ų | 26 | 59.2 Ų | 59.2 | 13% | 0.133 | 31% | 0.312 | C | S | . | . | trans | -106.9 | -7.2 | 175 | 63 | -179.6 | 0 | 0 | 0 | 112.9 | F158 Q161 L165 L171 K246 | F158-I244 HydrophobicContact CD2-CD1 3.98Å; F158-I244 HydrophobicContact CE2-CD1 4.14Å; F158-I244 HydrophobicContact CE2-CG1 4.46Å; F158-I244 HydrophobicContact CG-CD1 4.26Å; F158-I244 HydrophobicContact CZ-CG2 4.12Å; Q161-I244 HydrophobicContact CB-CD1 4.09Å; L165-I244 HydrophobicContact CD1-CB 4.35Å; L165-I244 HydrophobicContact CD1-CG2 4.09Å; L171-I244 HydrophobicContact CD1-CG2 4.43Å; I244-K246 PolarHBondContact O-N 3.37Å; I244-K246 VanDerWaalsContact O-N 3.13Å | ||
| 245 | D | 89.4 | Confident | 85.7 | Confident | 50 Ų | 50 | 54.7 Ų | 54.7 | 27% | 0.267 | 30% | 0.301 | S | S | . | . | trans | -80.2 | 97.3 | -179.6 | -169.4 | -32.2 | 0 | 0 | 0 | 111.2 | S247 V248 M249 | D245-S247 VanDerWaalsContact C-N 3.25Å; D245-S247 PolarHBondContact O-N 3.39Å; D245-S247 WeakPolarHBondContact OD1-CA 3.46Å; D245-S247 WeakPolarHBondContact OD1-CB 3.26Å; D245-S247 PolarHBondContact OD1-N 2.89Å; D245-S247 PolarHBondContact OD1-OG 3.38Å; D245-V248 HydrophobicContact CB-CB 4.11Å; D245-V248 HydrophobicContact CB-CG2 4.11Å; D245-V248 PolarHBondContact O-N 3.05Å; D245-V248 PolarHBondContact OD1-N 3.37Å; D245-V248 WeakPolarHBondContact OD2-CG2 3.44Å; D245-M249 WeakPolarHBondContact O-CE 3.4Å; D245-M249 WeakPolarHBondContact O-CG 3.33Å; D245-M249 PolarHBondContact O-N 3.39Å | ||
| 246 | K | 88.4 | Confident | 83.5 | Confident | 90 Ų | 90 | 53.7 Ų | 53.7 | 39% | 0.391 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.6 | -32.3 | 177.1 | -51.9 | -170.9 | -168.3 | -171.7 | 0 | 112.9 | D169 L171 I244 M249 E250 | D169-K246 WeakPolarHBondContact OD1-CE 3.23Å; D169-K246 IonicContact OD1-NZ 3.13Å; D169-K246 PolarHBondContact OD1-NZ 3.3Å; D169-K246 IonicContact OD2-NZ 2.65Å; D169-K246 PolarHBondContact OD2-NZ 3.01Å; L171-K246 HydrophobicContact CD2-CD 4.43Å; L171-K246 HydrophobicContact CD2-CG 4.02Å; I244-K246 PolarHBondContact O-N 3.37Å; I244-K246 VanDerWaalsContact O-N 3.13Å; K246-M249 PolarHBondContact O-N 2.65Å; K246-E250 WeakPolarHBondContact O-CB 3.41Å; K246-E250 PolarHBondContact O-N 3.29Å |
| 247 | S | 88.3 | Confident | 81.2 | Confident | 80 Ų | 80 | 59.8 Ų | 59.8 | 56% | 0.559 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -70.5 | -40.8 | -178 | 78.6 | 0 | 0 | 0 | 0 | 111.4 | D245 M249 S251 | D245-S247 VanDerWaalsContact C-N 3.25Å; D245-S247 PolarHBondContact O-N 3.39Å; D245-S247 WeakPolarHBondContact OD1-CA 3.46Å; D245-S247 WeakPolarHBondContact OD1-CB 3.26Å; D245-S247 PolarHBondContact OD1-N 2.89Å; D245-S247 PolarHBondContact OD1-OG 3.38Å; S247-M249 VanDerWaalsContact C-N 3.34Å; S247-S251 VanDerWaalsContact O-CB 3.26Å; S247-S251 WeakPolarHBondContact O-CB 3.48Å; S247-S251 PolarHBondContact O-N 3.15Å; S247-S251 PolarHBondContact O-OG 2.81Å |
| 248 | V | 88.1 | Confident | 78.7 | Confident | 16 Ų | 16 | 58.5 Ų | 58.5 | 10% | 0.097 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.3 | -42 | 173.4 | 169.7 | 0 | 0 | 0 | 0 | 110.7 | W175 V203 H212 D245 S251 S252 | W175-V248 HydrophobicContact CE3-CG1 4.21Å; W175-V248 HydrophobicContact CH2-CG1 3.84Å; W175-V248 HydrophobicContact CZ3-CG1 3.55Å; V203-V248 HydrophobicContact CB-CG1 4.27Å; V203-V248 HydrophobicContact CG2-CG1 4.08Å; H212-V248 HydrophobicContact CB-CG1 3.77Å; D245-V248 HydrophobicContact CB-CB 4.11Å; D245-V248 HydrophobicContact CB-CG2 4.11Å; D245-V248 PolarHBondContact O-N 3.05Å; D245-V248 PolarHBondContact OD1-N 3.37Å; D245-V248 WeakPolarHBondContact OD2-CG2 3.44Å; V248-S251 PolarHBondContact O-OG 2.65Å; V248-S252 PolarHBondContact O-OG 3.38Å |
| 249 | M | 86.9 | Confident | 76 | Confident | 13 Ų | 13 | 62.4 Ų | 62.4 | 6% | 0.064 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.7 | -60.1 | 176.2 | -66.8 | -172.7 | -98.3 | 0 | 0 | 111.5 | L171 D172 W175 C243 D245 K246 S247 S251 S252 | L171-M249 HydrophobicContact CB-CE 4.27Å; L171-M249 HydrophobicContact CD1-CE 4.43Å; L171-M249 HydrophobicContact CD2-CE 3.86Å; L171-M249 HydrophobicContact CG-CE 4.41Å; D172-M249 HydrophobicContact CB-SD 4.03Å; W175-M249 HydrophobicContact CB-SD 4.36Å; W175-M249 HydrophobicContact CD2-CG 3.97Å; W175-M249 HydrophobicContact CG-CG 3.86Å; W175-M249 HydrophobicContact CG-SD 4.15Å; C243-M249 HydrophobicContact CB-CE 4.41Å; C243-M249 WeakPolarHBondContact O-CE 3.39Å; D245-M249 WeakPolarHBondContact O-CE 3.4Å; D245-M249 WeakPolarHBondContact O-CG 3.33Å; D245-M249 PolarHBondContact O-N 3.39Å; K246-M249 PolarHBondContact O-N 2.65Å; S247-M249 VanDerWaalsContact C-N 3.34Å; M249-S251 VanDerWaalsContact C-N 3.28Å; M249-S251 PolarHBondContact O-N 2.83Å; M249-S252 VanDerWaalsContact O-CB 3.24Å; M249-S252 WeakPolarHBondContact O-CB 3.27Å; M249-S252 PolarHBondContact O-N 3.16Å; M249-S252 VanDerWaalsContact O-N 3.08Å; M249-S252 PolarHBondContact O-OG 3.05Å |
| 250 | E | 84.3 | Confident | 73.7 | Confident | 98 Ų | 98 | 68.1 Ų | 68.1 | 46% | 0.458 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.5 | -31.9 | -175.1 | -158.1 | -160.5 | 152.5 | 0 | 0 | 113.3 | K246 S252 D253 R254 | K246-E250 WeakPolarHBondContact O-CB 3.41Å; K246-E250 PolarHBondContact O-N 3.29Å; E250-S252 PolarHBondContact O-N 2.98Å; E250-D253 PolarHBondContact O-N 2.91Å; E250-R254 HydrophobicContact CG-CG 4.47Å; E250-R254 WeakPolarHBondContact O-CG 3.26Å; E250-R254 PolarHBondContact O-N 3.45Å; E250-R254 IonicContact OE1-CZ 2.76Å; E250-R254 IonicContact OE1-NE 2.78Å; E250-R254 PolarHBondContact OE1-NE 2.98Å; E250-R254 IonicContact OE1-NH2 2.68Å; E250-R254 PolarHBondContact OE1-NH2 3.4Å |
| 251 | S | 77.3 | Confident | 71 | Confident | 55 Ų | 55 | 73.4 Ų | 73.4 | 39% | 0.385 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -56.4 | -11 | 175.5 | 75.8 | 0 | 0 | 0 | 0 | 114.6 | K201 S247 V248 M249 | K201-S251 PolarHBondContact NZ-O 3.13Å; K201-S251 PolarHBondContact NZ-OG 3.16Å; S247-S251 VanDerWaalsContact O-CB 3.26Å; S247-S251 WeakPolarHBondContact O-CB 3.48Å; S247-S251 PolarHBondContact O-N 3.15Å; S247-S251 PolarHBondContact O-OG 2.81Å; V248-S251 PolarHBondContact O-OG 2.65Å; M249-S251 VanDerWaalsContact C-N 3.28Å; M249-S251 PolarHBondContact O-N 2.83Å |
| 252 | S | 64.1 | Low | 68.5 | Low | 15 Ų | 15 | 78.1 Ų | 78.1 | 11% | 0.105 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -91.2 | -43.6 | -177.9 | -45.3 | 0 | 0 | 0 | 0 | 111.8 | W175 K201 V248 M249 E250 C255 | W175-S252 WeakPolarHBondContact CZ2-OG 3.46Å; K201-S252 WeakPolarHBondContact CD-OG 3.26Å; K201-S252 PolarHBondContact NZ-OG 3.5Å; V248-S252 PolarHBondContact O-OG 3.38Å; M249-S252 VanDerWaalsContact O-CB 3.24Å; M249-S252 WeakPolarHBondContact O-CB 3.27Å; M249-S252 PolarHBondContact O-N 3.16Å; M249-S252 VanDerWaalsContact O-N 3.08Å; M249-S252 PolarHBondContact O-OG 3.05Å; E250-S252 PolarHBondContact O-N 2.98Å; S252-C255 WeakPolarHBondContact O-CB 3.4Å; S252-C255 PolarHBondContact O-N 2.73Å |
| 253 | D | 62.6 | Low | 65.9 | Low | 72 Ų | 72 | 79.2 Ų | 79.2 | 39% | 0.385 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -84 | -22.5 | -173.7 | -55.8 | -37.5 | 0 | 0 | 0 | 110.8 | R214 E250 C255 A256 L257 | R214-D253 IonicContact CZ-OD1 3.9Å; R214-D253 IonicContact CZ-OD2 3.54Å; R214-D253 IonicContact NH1-OD1 3.79Å; R214-D253 PolarHBondContact NH1-OD1 2.92Å; R214-D253 IonicContact NH1-OD2 2.73Å; R214-D253 IonicContact NH2-OD1 3.1Å; R214-D253 PolarHBondContact NH2-OD1 3Å; R214-D253 IonicContact NH2-OD2 3.19Å; R214-D253 PolarHBondContact NH2-OD2 3.49Å; R214-D253 VanDerWaalsContact NH2-OD2 3.1Å; E250-D253 PolarHBondContact O-N 2.91Å; D253-C255 PolarHBondContact O-N 2.86Å; D253-A256 WeakPolarHBondContact O-CB 3.46Å; D253-A256 PolarHBondContact O-N 3.26Å; D253-L257 PolarHBondContact O-N 2.85Å |
| 254 | R | 57.9 | Low | 63.4 | Low | 143 Ų | 143 | 88.6 Ų | 88.6 | 54% | 0.54 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -57.1 | -33.2 | 164.4 | -67.3 | -70.9 | 173.9 | -177.3 | -4 | 112.9 | E250 A256 L257 S258 | E250-R254 HydrophobicContact CG-CG 4.47Å; E250-R254 WeakPolarHBondContact O-CG 3.26Å; E250-R254 PolarHBondContact O-N 3.45Å; E250-R254 IonicContact OE1-CZ 2.76Å; E250-R254 IonicContact OE1-NE 2.78Å; E250-R254 PolarHBondContact OE1-NE 2.98Å; E250-R254 IonicContact OE1-NH2 2.68Å; E250-R254 PolarHBondContact OE1-NH2 3.4Å; R254-A256 VanDerWaalsContact C-N 3.29Å; R254-A256 PolarHBondContact O-N 3.34Å; R254-L257 PolarHBondContact O-N 3.18Å; R254-S258 VanDerWaalsContact O-CB 3.23Å; R254-S258 WeakPolarHBondContact O-CB 3.5Å; R254-S258 PolarHBondContact O-N 3.08Å; R254-S258 PolarHBondContact O-OG 3.22Å |
| 255 | C | 47.5 | Very low | 61.6 | Low | 104 Ų | 104 | 93.1 Ų | 93.1 | 70% | 0.703 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -68.7 | -23.3 | 174.3 | -79 | 0 | 0 | 0 | 0 | 113.9 | S252 D253 | S252-C255 WeakPolarHBondContact O-CB 3.4Å; S252-C255 PolarHBondContact O-N 2.73Å; D253-C255 PolarHBondContact O-N 2.86Å |
| 256 | A | 49.8 | Very low | 59.5 | Low | 78 Ų | 78 | 95.6 Ų | 95.6 | 65% | 0.645 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -80.5 | -36.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | D253 R254 | D253-A256 WeakPolarHBondContact O-CB 3.46Å; D253-A256 PolarHBondContact O-N 3.26Å; R254-A256 VanDerWaalsContact C-N 3.29Å; R254-A256 PolarHBondContact O-N 3.34Å |
| 257 | L | 48.2 | Very low | 57.3 | Low | 143 Ų | 143 | 97.2 Ų | 97.2 | 75% | 0.749 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -90.8 | -22.3 | -175.8 | -70.4 | 165.4 | 0 | 0 | 0 | 114.2 | D253 R254 S259 | D253-L257 PolarHBondContact O-N 2.85Å; R254-L257 PolarHBondContact O-N 3.18Å; L257-S259 VanDerWaalsContact C-N 3.28Å; L257-S259 PolarHBondContact O-N 3.33Å |
| 258 | S | 44.5 | Very low | 55.1 | Low | 90 Ų | 90 | 101.5 Ų | 101.5 | 63% | 0.629 | 60% | 0.599 | S | S | * | * | trans | -92 | 35.5 | 174.4 | -62.5 | 0 | 0 | 0 | 0 | 113.5 | R254 | R254-S258 VanDerWaalsContact O-CB 3.23Å; R254-S258 WeakPolarHBondContact O-CB 3.5Å; R254-S258 PolarHBondContact O-N 3.08Å; R254-S258 PolarHBondContact O-OG 3.22Å | ||
| 259 | S | 42 | Very low | 52.8 | Low | 82 Ų | 82 | 110.1 Ų | 110.1 | 57% | 0.573 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -65.4 | 126.8 | 148.7 | -70.1 | 0 | 0 | 0 | 0 | 107.9 | L257 S261 | L257-S259 VanDerWaalsContact C-N 3.28Å; L257-S259 PolarHBondContact O-N 3.33Å; S259-S261 PolarHBondContact O-N 2.61Å |
| 260 | P | 48.9 | Very low | 50.3 | Low | 127 Ų | 127 | 116.2 Ų | 116.2 | 83% | 0.825 | 67% | 0.673 | S | S | * | * | trans | -67.6 | 99 | 177 | 27 | -33.1 | 0 | 0 | 0 | 109.3 | L262 | P260-L262 PolarHBondContact O-N 2.86Š| ||
| 261 | S | 41.4 | Very low | 48.1 | Very low | 114 Ų | 114 | 120 Ų | 120 | 80% | 0.797 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 127.7 | 178.4 | 44.2 | 0 | 0 | 0 | 0 | 110 | S259 A263 | S259-S261 PolarHBondContact O-N 2.61Å; S261-A263 PolarHBondContact O-N 3.35Å |
| 262 | L | 46.4 | Very low | 46 | Very low | 171 Ų | 171 | 120.8 Ų | 120.8 | 90% | 0.895 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 132.5 | 178.6 | -68.1 | 168.5 | 0 | 0 | 0 | 109.8 | P260 F264 | P260-L262 PolarHBondContact O-N 2.86Å; L262-F264 PolarHBondContact O-N 3Å |
| 263 | A | 41 | Very low | 44.7 | Very low | 92 Ų | 92 | 126.8 Ų | 126.8 | 76% | 0.76 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 126.8 | -172 | 0 | 0 | 0 | 0 | 0 | 112.1 | S261 T265 | S261-A263 PolarHBondContact O-N 3.35Å; A263-T265 PolarHBondContact O-N 3.21Å |
| 264 | F | 42.6 | Very low | 44.2 | Very low | 202 Ų | 202 | 128.8 Ų | 128.8 | 89% | 0.886 | 77% | 0.765 | S | S | * | * | trans | -81.9 | 81.1 | -171.8 | -161.8 | -88.3 | 0 | 0 | 0 | 111.3 | L262 | L262-F264 PolarHBondContact O-N 3Š| ||
| 265 | T | 54.2 | Low | 42.9 | Very low | 120 Ų | 120 | 128.1 Ų | 128.1 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 123.8 | 175.4 | 53.8 | 0 | 0 | 0 | 0 | 111.1 | A263 | A263-T265 PolarHBondContact O-N 3.21Š|
| 266 | P | 45.1 | Very low | 42.5 | Very low | 102 Ų | 102 | 131.1 Ų | 131.1 | 66% | 0.662 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 148.9 | -179.8 | 30 | -35.1 | 0 | 0 | 0 | 112.3 | ||
| 267 | P | 43.4 | Very low | 42.5 | Very low | 124 Ų | 124 | 133.1 Ų | 133.1 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 124 | -175.7 | 32.4 | -33.8 | 0 | 0 | 0 | 112.8 | ||
| 268 | I | 40.7 | Very low | 41.8 | Very low | 171 Ų | 171 | 129.6 Ų | 129.6 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | trans | -114.2 | 135.8 | 163 | 22.3 | 174 | 0 | 0 | 0 | 109.5 | ||||
| 269 | K | 40.2 | Very low | 41.5 | Very low | 197 Ų | 197 | 130 Ų | 130 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | trans | -109.7 | 110.1 | -172.7 | -61.1 | 175.6 | -177.6 | 176.2 | 0 | 111 | ||||
| 270 | T | 33.9 | Very low | 41.6 | Very low | 141 Ų | 141 | 132.1 Ų | 132.1 | 87% | 0.865 | 80% | 0.798 | S | S | * | * | trans | -150.5 | 119.2 | 158.8 | -8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 271 | L | 38.5 | Very low | 41.7 | Very low | 177 Ų | 177 | 131.2 Ų | 131.2 | 93% | 0.927 | 79% | 0.792 | S | S | * | * | trans | -20.1 | 131.8 | 158.7 | -176.1 | 67.1 | 0 | 0 | 0 | 117.8 | ||||
| 272 | G | 32.8 | Very low | 41.9 | Very low | 72 Ų | 72 | 136.3 Ų | 136.3 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | trans | 171.9 | 127.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 273 | T | 36.3 | Very low | 41.8 | Very low | 140 Ų | 140 | 134.7 Ų | 134.7 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | trans | -124.5 | 174.3 | 174.6 | 51.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 274 | P | 52.3 | Low | 42 | Very low | 114 Ų | 114 | 135.6 Ų | 135.6 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | cis | -128.2 | -156.2 | -14.9 | 35 | -14.6 | 0 | 0 | 0 | 112.3 | ||||
| 275 | T | 31.3 | Very low | 42.4 | Very low | 130 Ų | 130 | 131.8 Ų | 131.8 | 80% | 0.798 | 78% | 0.779 | S | S | * | * | trans | 125.1 | 128.2 | 142.5 | -43.6 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 276 | Q | 39 | Very low | 42 | Very low | 166 Ų | 166 | 134.9 Ų | 134.9 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | -117.7 | 176.1 | 172 | -90.9 | -104.7 | -4.9 | 0 | 0 | 107.4 | ||||
| 277 | P | 50.6 | Low | 43 | Very low | 120 Ų | 120 | 139.1 Ų | 139.1 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | cis | -148.6 | 171.5 | 24.7 | 42.9 | -22.6 | 0 | 0 | 0 | 119.8 | ||||
| 278 | G | 33.4 | Very low | 43.8 | Very low | 69 Ų | 69 | 138 Ų | 138 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | trans | 78.6 | 166.7 | 143.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 279 | S | 37.4 | Very low | 44.4 | Very low | 99 Ų | 99 | 137.3 Ų | 137.3 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | cis | -165.1 | 130.9 | -20.9 | -175.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 280 | T | 45.3 | Very low | 45.2 | Very low | 126 Ų | 126 | 131.2 Ų | 131.2 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | trans | 61.4 | 165.3 | 152.7 | 49.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 281 | P | 50.1 | Low | 46 | Very low | 108 Ų | 108 | 127.5 Ų | 127.5 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | cis | -138.7 | 162.4 | -45.8 | 38 | -22.7 | 0 | 0 | 0 | 114.8 | ||||
| 282 | R | 45.1 | Very low | 46.6 | Very low | 221 Ų | 221 | 122.1 Ų | 122.1 | 83% | 0.834 | 73% | 0.725 | S | S | * | * | 162.7 | 112.2 | 128 | -83.3 | -99.9 | -106.7 | -171.8 | -4.2 | 114.6 | |||||
| 283 | I | 44.8 | Very low | 47.5 | Very low | 138 Ų | 138 | 125.6 Ų | 125.6 | 71% | 0.708 | 72% | 0.717 | S | S | * | * | trans | 46.3 | 104.4 | 136.2 | -50.2 | -180 | 0 | 0 | 0 | 119.6 | ||||
| 284 | S | 46.2 | Very low | 48.5 | Very low | 111 Ų | 111 | 125.7 Ų | 125.7 | 78% | 0.776 | 71% | 0.705 | S | S | * | * | trans | 54 | 142.8 | 130.4 | -118 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 285 | T | 49.9 | Very low | 48.4 | Very low | 121 Ų | 121 | 124.2 Ų | 124.2 | 74% | 0.742 | 70% | 0.703 | S | S | * | * | cis | -137.2 | 176.4 | 27.5 | 60.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 286 | M | 46.8 | Very low | 48.9 | Very low | 186 Ų | 186 | 123 Ų | 123 | 92% | 0.916 | 70% | 0.699 | S | S | * | * | trans | 77.2 | 118.4 | -178.6 | -60.3 | -169.6 | 68.4 | 0 | 0 | 116.8 | ||||
| 287 | R | 65.9 | Low | 49.5 | Very low | 191 Ų | 191 | 120.3 Ų | 120.3 | 72% | 0.721 | 69% | 0.694 | S | S | * | * | trans | -110.6 | 131.1 | 175.3 | -173.8 | -179.2 | -166.6 | 153.2 | 6.3 | 109.1 | L289 T291 | R287-L289 PolarHBondContact O-N 3.41Å; R287-T291 PolarHBondContact NE-OG1 3.13Å | ||
| 288 | P | 58.9 | Low | 49.7 | Very low | 99 Ų | 99 | 119 Ų | 119 | 64% | 0.643 | 69% | 0.689 | S | S | * | * | trans | -59.4 | 131.3 | 172.3 | -24.5 | 34.7 | 0 | 0 | 0 | 111.5 | A290 T291 | P288-A290 PolarHBondContact O-N 3.09Å; P288-T291 PolarHBondContact O-N 2.67Å; P288-T291 PolarHBondContact O-OG1 2.81Å | ||
| 289 | L | 53.9 | Low | 50.6 | Low | 157 Ų | 157 | 122.4 Ų | 122.4 | 82% | 0.822 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -55.9 | -22.5 | -175.4 | -63.4 | 171.7 | 0 | 0 | 0 | 113.4 | R287 T291 A292 | R287-L289 PolarHBondContact O-N 3.41Å; L289-T291 PolarHBondContact O-N 2.76Å; L289-T291 VanDerWaalsContact O-N 3.09Å; L289-A292 PolarHBondContact O-N 2.85Å |
| 290 | A | 56.3 | Low | 50.8 | Low | 70 Ų | 70 | 128.6 Ų | 128.6 | 58% | 0.579 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -59.1 | -14 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | P288 Y293 | P288-A290 PolarHBondContact O-N 3.09Å; A290-Y293 HydrophobicContact CB-CE1 4.46Å; A290-Y293 WeakPolarHBondContact O-CD1 3.41Å; A290-Y293 WeakPolarHBondContact O-CE1 3.39Å |
| 291 | T | 52.2 | Low | 51 | Low | 63 Ų | 63 | 131.1 Ų | 131.1 | 39% | 0.387 | 70% | 0.703 | S | S | . | * | G | 310 helix | trans | -87.7 | -19.3 | 170 | 4.8 | 0 | 0 | 0 | 0 | 114.4 | R287 P288 L289 | R287-T291 PolarHBondContact NE-OG1 3.13Å; P288-T291 PolarHBondContact O-N 2.67Å; P288-T291 PolarHBondContact O-OG1 2.81Å; L289-T291 PolarHBondContact O-N 2.76Å; L289-T291 VanDerWaalsContact O-N 3.09Å |
| 292 | A | 49.5 | Very low | 50.8 | Low | 64 Ų | 64 | 132 Ų | 132 | 53% | 0.529 | 71% | 0.706 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.5 | -40 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L289 K294 A295 | L289-A292 PolarHBondContact O-N 2.85Å; A292-K294 PolarHBondContact O-N 3.09Å; A292-K294 VanDerWaalsContact O-N 3.09Å; A292-A295 PolarHBondContact O-N 3.08Å |
| 293 | Y | 53.4 | Low | 50.8 | Low | 145 Ų | 145 | 128.8 Ų | 128.8 | 57% | 0.569 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -15 | -176.6 | 85.9 | -90.1 | 0 | 0 | 0 | 114.2 | A290 | A290-Y293 HydrophobicContact CB-CE1 4.46Å; A290-Y293 WeakPolarHBondContact O-CD1 3.41Å; A290-Y293 WeakPolarHBondContact O-CE1 3.39Å |
| 294 | K | 57.1 | Low | 51.3 | Low | 141 Ų | 141 | 128 Ų | 128 | 61% | 0.613 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -6.5 | 173.6 | -69.5 | -57.7 | -166.2 | -174.2 | 0 | 114.2 | A292 | A292-K294 PolarHBondContact O-N 3.09Å; A292-K294 VanDerWaalsContact O-N 3.09Å |
| 295 | A | 48.8 | Very low | 51.3 | Low | 83 Ų | 83 | 128.7 Ų | 128.7 | 69% | 0.686 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -100.8 | 5.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | A292 | A292-A295 PolarHBondContact O-N 3.08Š|
| 296 | S | 42.6 | Very low | 51.5 | Low | 104 Ų | 104 | 134.4 Ų | 134.4 | 73% | 0.727 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -130.6 | 30.9 | -175.2 | -171.8 | 0 | 0 | 0 | 0 | 112.4 | ||
| 297 | T | 51 | Low | 51.7 | Low | 110 Ų | 110 | 133.7 Ų | 133.7 | 68% | 0.675 | 71% | 0.708 | S | S | * | * | trans | -131.2 | 49.3 | 176.5 | 64.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 298 | S | 55.2 | Low | 50.8 | Low | 94 Ų | 94 | 130.1 Ų | 130.1 | 66% | 0.657 | 71% | 0.708 | S | S | * | * | trans | -144.4 | 78.2 | 175 | 58.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 299 | D | 52.3 | Low | 50 | Low | 139 Ų | 139 | 131.9 Ų | 131.9 | 74% | 0.743 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -175.4 | 165.9 | 143.9 | -89.2 | -31.7 | 0 | 0 | 0 | 108.2 | ||
| 300 | Y | 40.8 | Very low | 50.1 | Low | 229 Ų | 229 | 132.4 Ų | 132.4 | 90% | 0.898 | 72% | 0.715 | S | S | * | * | trans | 64.1 | 51.6 | 179.9 | -43.9 | -68.2 | 0 | 0 | 0 | 116.6 | ||||
| 301 | Q | 50 | Low | 50 | Low | 180 Ų | 180 | 137 Ų | 137 | 84% | 0.841 | 72% | 0.722 | S | S | * | * | trans | -88.6 | 160.1 | 142.3 | -162 | 178.3 | 23.2 | 0 | 0 | 109.2 | ||||
| 302 | V | 45.6 | Very low | 50.2 | Low | 126 Ų | 126 | 139.9 Ų | 139.9 | 76% | 0.764 | 74% | 0.735 | S | S | * | * | trans | 79.2 | 91.4 | 174 | -166.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 303 | I | 46.4 | Very low | 50.8 | Low | 154 Ų | 154 | 144.3 Ų | 144.3 | 79% | 0.79 | 74% | 0.744 | S | S | * | * | -154.4 | 135.9 | 105.7 | -90.2 | 149.6 | 0 | 0 | 0 | 107.4 | D305 | I303-D305 HydrophobicContact CG2-CB 4.35Å; I303-D305 PolarHBondContact O-N 3.42Å | |||
| 304 | S | 54.7 | Low | 51.3 | Low | 121 Ų | 121 | 140.4 Ų | 140.4 | 85% | 0.846 | 74% | 0.739 | S | S | * | * | trans | -92.6 | 78.9 | 175.5 | -66.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 305 | D | 45.3 | Very low | 51.8 | Low | 126 Ų | 126 | 141 Ų | 141 | 67% | 0.674 | 75% | 0.748 | S | S | * | * | trans | -78.6 | 125.3 | 172.7 | -170.2 | 1.2 | 0 | 0 | 0 | 111 | I303 Q307 | I303-D305 HydrophobicContact CG2-CB 4.35Å; I303-D305 PolarHBondContact O-N 3.42Å; D305-Q307 PolarHBondContact OD1-N 3.18Å | ||
| 306 | R | 54.3 | Low | 52.5 | Low | 240 Ų | 240 | 141.9 Ų | 141.9 | 91% | 0.906 | 74% | 0.744 | S | S | * | * | trans | -106.5 | 33.8 | -178.1 | -69.2 | -173.7 | 70.5 | -173.4 | 2.6 | 112.5 | ||||
| 307 | Q | 52.3 | Low | 53.7 | Low | 171 Ų | 171 | 139.7 Ų | 139.7 | 80% | 0.799 | 73% | 0.729 | S | S | * | * | trans | -133.3 | 71.3 | -177.8 | -111.9 | 163.4 | -30.4 | 0 | 0 | 115.2 | D305 | D305-Q307 PolarHBondContact OD1-N 3.18Š| ||
| 308 | T | 45.4 | Very low | 54.5 | Low | 116 Ų | 116 | 140.6 Ų | 140.6 | 71% | 0.712 | 72% | 0.724 | S | S | * | * | trans | -120 | 125.8 | 154.5 | 48.5 | 0 | 0 | 0 | 0 | 109.5 | K310 | T308-K310 PolarHBondContact O-N 2.91Š| ||
| 309 | P | 42.9 | Very low | 55.3 | Low | 137 Ų | 137 | 138.5 Ų | 138.5 | 89% | 0.89 | 71% | 0.712 | S | S | * | * | trans | -72 | 111.4 | -179 | 28.1 | -33 | 0 | 0 | 0 | 110.1 | ||||
| 310 | K | 56.9 | Low | 56.2 | Low | 167 Ų | 167 | 136.5 Ų | 136.5 | 73% | 0.726 | 70% | 0.699 | S | S | * | * | trans | -86.1 | 141.5 | 168.9 | -69.7 | -171.2 | 174.7 | -175.6 | 0 | 109.5 | T308 D312 | T308-K310 PolarHBondContact O-N 2.91Å; K310-D312 PolarHBondContact O-N 2.88Å | ||
| 311 | K | 53.3 | Low | 57.6 | Low | 166 Ų | 166 | 131 Ų | 131 | 72% | 0.722 | 68% | 0.681 | S | S | * | * | trans | -75.2 | 90.4 | 173 | -173.4 | -159 | 178.8 | -160.8 | 0 | 108.5 | E313 | K311-E313 HydrophobicContact CD-CG 4.35Å; K311-E313 WeakPolarHBondContact CE-OE1 3.02Å; K311-E313 IonicContact NZ-OE1 2.68Å; K311-E313 PolarHBondContact NZ-OE1 3.12Å; K311-E313 PolarHBondContact O-N 2.9Å | ||
| 312 | D | 57.1 | Low | 58.4 | Low | 125 Ų | 125 | 131.9 Ų | 131.9 | 67% | 0.668 | 68% | 0.679 | S | S | * | * | trans | -73.4 | 106.9 | 176.6 | -67.3 | -38.9 | 0 | 0 | 0 | 110.3 | K310 S314 S317 | K310-D312 PolarHBondContact O-N 2.88Å; D312-S314 PolarHBondContact O-N 3.48Å; D312-S317 PolarHBondContact O-OG 2.96Å | ||
| 313 | E | 60.5 | Low | 59.2 | Low | 156 Ų | 156 | 132.6 Ų | 132.6 | 73% | 0.729 | 68% | 0.676 | S | S | * | * | trans | -77.3 | 52.4 | 177.3 | -56 | -153.3 | 146.6 | 0 | 0 | 111.8 | K311 | K311-E313 HydrophobicContact CD-CG 4.35Å; K311-E313 WeakPolarHBondContact CE-OE1 3.02Å; K311-E313 IonicContact NZ-OE1 2.68Å; K311-E313 PolarHBondContact NZ-OE1 3.12Å; K311-E313 PolarHBondContact O-N 2.9Å | ||
| 314 | S | 64.8 | Low | 60.5 | Low | 64 Ų | 64 | 131.9 Ų | 131.9 | 45% | 0.448 | 67% | 0.667 | S | S | . | * | trans | -65.5 | 150.4 | 171.3 | -176.7 | 0 | 0 | 0 | 0 | 111 | D312 V316 S317 K318 | D312-S314 PolarHBondContact O-N 3.48Å; S314-V316 PolarHBondContact O-N 3.08Å; S314-V316 VanDerWaalsContact O-N 3.16Å; S314-S317 VanDerWaalsContact O-CB 3.27Å; S314-S317 WeakPolarHBondContact O-CB 3.38Å; S314-S317 PolarHBondContact O-N 2.78Å; S314-S317 PolarHBondContact O-OG 2.97Å; S314-K318 PolarHBondContact O-N 2.96Å | ||
| 315 | L | 66.7 | Low | 60.7 | Low | 153 Ų | 153 | 129 Ų | 129 | 80% | 0.801 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -59.6 | -29.2 | -179.8 | -158.4 | 151.8 | 0 | 0 | 0 | 111.8 | K318 A319 | L315-K318 PolarHBondContact O-N 2.96Å; L315-A319 PolarHBondContact O-N 2.83Å |
| 316 | V | 65.5 | Low | 61.1 | Low | 101 Ų | 101 | 137.9 Ų | 137.9 | 61% | 0.612 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -66.7 | -41 | 172 | 173.6 | 0 | 0 | 0 | 0 | 112.2 | S314 K318 A319 M320 | S314-V316 PolarHBondContact O-N 3.08Å; S314-V316 VanDerWaalsContact O-N 3.16Å; V316-K318 VanDerWaalsContact C-N 3.26Å; V316-K318 PolarHBondContact O-N 3.1Å; V316-A319 PolarHBondContact O-N 2.68Å; V316-A319 VanDerWaalsContact O-N 3.17Å; V316-M320 WeakPolarHBondContact O-CG 3.41Å; V316-M320 PolarHBondContact O-N 3.34Å |
| 317 | S | 67.1 | Low | 61.4 | Low | 59 Ų | 59 | 132.8 Ų | 132.8 | 41% | 0.413 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -58 | -42.6 | 176.8 | -47.7 | 0 | 0 | 0 | 0 | 110.7 | D312 S314 M320 E321 | D312-S317 PolarHBondContact O-OG 2.96Å; S314-S317 VanDerWaalsContact O-CB 3.27Å; S314-S317 WeakPolarHBondContact O-CB 3.38Å; S314-S317 PolarHBondContact O-N 2.78Å; S314-S317 PolarHBondContact O-OG 2.97Å; S317-M320 PolarHBondContact O-N 3.31Å; S317-E321 PolarHBondContact O-N 3.38Å; S317-E321 VanDerWaalsContact O-N 3.08Å |
| 318 | K | 68.1 | Low | 61.9 | Low | 129 Ų | 129 | 130.8 Ų | 130.8 | 56% | 0.561 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -73.7 | -27.4 | 178.7 | -163.8 | 154.1 | -169.6 | 155.8 | 0 | 113.8 | S314 L315 V316 Y322 | S314-K318 PolarHBondContact O-N 2.96Å; L315-K318 PolarHBondContact O-N 2.96Å; V316-K318 VanDerWaalsContact C-N 3.26Å; V316-K318 PolarHBondContact O-N 3.1Å; K318-Y322 WeakPolarHBondContact O-CD2 3.49Å; K318-Y322 PolarHBondContact O-N 3.27Å |
| 319 | A | 72.2 | Confident | 62.8 | Low | 49 Ų | 49 | 131.6 Ų | 131.6 | 41% | 0.405 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -69.6 | -40.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L315 V316 Y322 M323 | L315-A319 PolarHBondContact O-N 2.83Å; V316-A319 PolarHBondContact O-N 2.68Å; V316-A319 VanDerWaalsContact O-N 3.17Å; A319-Y322 PolarHBondContact O-N 2.81Å; A319-M323 WeakPolarHBondContact O-CG 3.33Å; A319-M323 PolarHBondContact O-N 2.85Å; A319-M323 VanDerWaalsContact O-N 3.14Å |
| 320 | M | 71.4 | Confident | 64 | Low | 98 Ų | 98 | 131.3 Ų | 131.3 | 48% | 0.483 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -64.4 | -41 | 174.9 | -67.6 | -69.4 | -70 | 0 | 0 | 111.9 | V316 S317 Y322 M323 F324 | V316-M320 WeakPolarHBondContact O-CG 3.41Å; V316-M320 PolarHBondContact O-N 3.34Å; S317-M320 PolarHBondContact O-N 3.31Å; M320-Y322 VanDerWaalsContact C-N 3.33Å; M320-Y322 PolarHBondContact O-N 3.14Å; M320-M323 PolarHBondContact O-N 3.12Å; M320-M323 VanDerWaalsContact O-N 3.1Å; M320-F324 HydrophobicContact CE-CD2 3.83Å; M320-F324 HydrophobicContact CE-CE2 3.52Å; M320-F324 WeakPolarHBondContact O-CD2 3.39Å; M320-F324 PolarHBondContact O-N 2.79Å; M320-F324 HydrophobicContact SD-CD2 4.32Å; M320-F324 HydrophobicContact SD-CE2 3.91Å |
| 321 | E | 69.3 | Low | 64.4 | Low | 112 Ų | 112 | 129.1 Ų | 129.1 | 52% | 0.523 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -53.1 | -48.4 | 173.3 | -168.4 | 178.6 | 169.9 | 0 | 0 | 111.3 | S317 M323 G325 | S317-E321 PolarHBondContact O-N 3.38Å; S317-E321 VanDerWaalsContact O-N 3.08Å; E321-M323 VanDerWaalsContact C-N 3.34Å; E321-M323 PolarHBondContact O-N 2.86Å; E321-G325 PolarHBondContact O-N 2.98Å |
| 322 | Y | 66.6 | Low | 65.2 | Low | 199 Ų | 199 | 126.6 Ų | 126.6 | 78% | 0.78 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -68.9 | -22.9 | 176.5 | -95.6 | -85.2 | 0 | 0 | 0 | 115.3 | K318 A319 M320 | K318-Y322 WeakPolarHBondContact O-CD2 3.49Å; K318-Y322 PolarHBondContact O-N 3.27Å; A319-Y322 PolarHBondContact O-N 2.81Å; M320-Y322 VanDerWaalsContact C-N 3.33Å; M320-Y322 PolarHBondContact O-N 3.14Å |
| 323 | M | 63.1 | Low | 65.8 | Low | 142 Ų | 142 | 126.7 Ų | 126.7 | 70% | 0.7 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -89 | -25.7 | 178.7 | -74.3 | -175 | 66.3 | 0 | 0 | 113.8 | A319 M320 E321 | A319-M323 WeakPolarHBondContact O-CG 3.33Å; A319-M323 PolarHBondContact O-N 2.85Å; A319-M323 VanDerWaalsContact O-N 3.14Å; M320-M323 PolarHBondContact O-N 3.12Å; M320-M323 VanDerWaalsContact O-N 3.1Å; E321-M323 VanDerWaalsContact C-N 3.34Å; E321-M323 PolarHBondContact O-N 2.86Å |
| 324 | F | 72.2 | Confident | 66.2 | Low | 139 Ų | 139 | 124.5 Ų | 124.5 | 61% | 0.61 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -120.4 | -6 | -171.3 | -65.9 | -75.3 | 0 | 0 | 0 | 115.3 | M320 | M320-F324 HydrophobicContact CE-CD2 3.83Å; M320-F324 HydrophobicContact CE-CE2 3.52Å; M320-F324 WeakPolarHBondContact O-CD2 3.39Å; M320-F324 PolarHBondContact O-N 2.79Å; M320-F324 HydrophobicContact SD-CD2 4.32Å; M320-F324 HydrophobicContact SD-CE2 3.91Å |
| 325 | G | 59.3 | Low | 66.3 | Low | 61 Ų | 61 | 129.5 Ų | 129.5 | 63% | 0.629 | 64% | 0.641 | S | S | * | * | trans | 56.7 | 83.2 | 154.9 | 0 | 0 | 0 | 0 | 0 | 117 | E321 | E321-G325 PolarHBondContact O-N 2.98Š| ||
| 326 | W | 53.9 | Low | 66.2 | Low | 312 Ų | 312 | 127.4 Ų | 127.4 | 100% | 1.182 | 63% | 0.627 | S | S | * | * | trans | -131.9 | 0 | 169.1 | -85.9 | 77 | 0 | 0 | 0 | 110.6 |
Retrieved 326 of 326 residues in 39.9 ms
(Link to these results)