| 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 | 47.2 | Very low | 48.3 | Very low | 235 Ų | 235 | 139.9 Ų | 139.9 | 100% | 1.158 | 79% | 0.792 | S | S | * | * | 0 | 101.6 | 0 | -69.4 | 128.9 | 175.4 | 0 | 0 | 105.4 | |||||
| 2 | S | 52.2 | Low | 47.8 | Very low | 113 Ų | 113 | 140.8 Ų | 140.8 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | 55.8 | 122.3 | 72.9 | -60.5 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 3 | M | 45.6 | Very low | 48.3 | Very low | 168 Ų | 168 | 137.5 Ų | 137.5 | 83% | 0.828 | 79% | 0.794 | S | S | * | * | cis | -157.1 | 144 | 20.5 | -90 | 162.3 | 178.3 | 0 | 0 | 107.4 | ||||
| 4 | S | 55.7 | Low | 48.9 | Very low | 104 Ų | 104 | 136.6 Ų | 136.6 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | 56.7 | 140.9 | 95 | -14.4 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 5 | E | 49.1 | Very low | 48.8 | Very low | 173 Ų | 173 | 135.8 Ų | 135.8 | 81% | 0.808 | 79% | 0.794 | S | S | * | * | cis | -177.4 | 167.9 | 7.3 | -152.4 | 173.5 | 71.8 | 0 | 0 | 108.9 | ||||
| 6 | S | 45.8 | Very low | 48.4 | Very low | 93 Ų | 93 | 136.4 Ų | 136.4 | 65% | 0.65 | 79% | 0.792 | S | S | * | * | trans | 82.3 | 130.1 | 146.9 | -65.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 7 | T | 47.5 | Very low | 48.5 | Very low | 130 Ų | 130 | 135.4 Ų | 135.4 | 80% | 0.798 | 79% | 0.788 | S | S | * | * | cis | -164.8 | 136.9 | 37.3 | -59.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 8 | E | 46.7 | Very low | 48.2 | Very low | 183 Ų | 183 | 138.4 Ų | 138.4 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | trans | -113.5 | 176.5 | 145.6 | -71.8 | -167.5 | 115.7 | 0 | 0 | 106.8 | ||||
| 9 | P | 56.2 | Low | 48.2 | Very low | 113 Ų | 113 | 134.9 Ų | 134.9 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | cis | -149.1 | -174.5 | 15 | 41.7 | -18.6 | 0 | 0 | 0 | 117.5 | ||||
| 10 | S | 40.5 | Very low | 47.7 | Very low | 93 Ų | 93 | 135.9 Ų | 135.9 | 65% | 0.65 | 78% | 0.78 | S | S | * | * | trans | 66.1 | 135.8 | 134.8 | -110.1 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 11 | N | 44.2 | Very low | 47.5 | Very low | 134 Ų | 134 | 136.5 Ų | 136.5 | 72% | 0.717 | 78% | 0.779 | S | S | * | * | trans | 97.2 | 123.2 | 130.7 | -69.7 | -4.2 | 0 | 0 | 0 | 122.1 | ||||
| 12 | D | 43.1 | Very low | 47.4 | Very low | 150 Ų | 150 | 131 Ų | 131 | 80% | 0.802 | 76% | 0.759 | S | S | * | * | trans | 36.2 | 121.1 | 133.7 | -74 | -79.9 | 0 | 0 | 0 | 120.3 | ||||
| 13 | A | 53.6 | Low | 47.4 | Very low | 98 Ų | 98 | 131.5 Ų | 131.5 | 81% | 0.81 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -100.2 | 137.2 | 160.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 14 | P | 57.6 | Low | 47.3 | Very low | 126 Ų | 126 | 128 Ų | 128 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -101.5 | 167.9 | -167.3 | 39.5 | -35 | 0 | 0 | 0 | 115.6 | ||
| 15 | T | 47.2 | Very low | 46.8 | Very low | 124 Ų | 124 | 128.9 Ų | 128.9 | 76% | 0.761 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 156.1 | 169.7 | 39.5 | 0 | 0 | 0 | 0 | 116.1 | ||
| 16 | L | 42.4 | Very low | 47 | Very low | 145 Ų | 145 | 125.1 Ų | 125.1 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | trans | 140.9 | 111.9 | 134 | -101.6 | 102 | 0 | 0 | 0 | 113.7 | ||||
| 17 | T | 49.3 | Very low | 47.5 | Very low | 119 Ų | 119 | 128.2 Ų | 128.2 | 73% | 0.73 | 77% | 0.771 | S | S | * | * | 78.1 | 127.4 | 104.6 | 62.1 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 18 | E | 43.4 | Very low | 47.6 | Very low | 191 Ų | 191 | 129.6 Ų | 129.6 | 89% | 0.893 | 77% | 0.774 | S | S | * | * | trans | -156.5 | 140.3 | 134.2 | -149.1 | 170 | 120.6 | 0 | 0 | 111.2 | ||||
| 19 | A | 48.6 | Very low | 48 | Very low | 72 Ų | 72 | 128 Ų | 128 | 60% | 0.595 | 77% | 0.769 | S | S | * | * | trans | -89.2 | 170.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 20 | H | 37.6 | Very low | 47.8 | Very low | 154 Ų | 154 | 128 Ų | 128 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | trans | 144.9 | 111.9 | 133.4 | -78.1 | -80.3 | 0 | 0 | 0 | 116 | ||||
| 21 | I | 44 | Very low | 48.6 | Very low | 148 Ų | 148 | 129.5 Ų | 129.5 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | 81.5 | 129.5 | 129.5 | -54.9 | 167.6 | 0 | 0 | 0 | 120.8 | |||||
| 22 | T | 45.5 | Very low | 49.4 | Very low | 120 Ų | 120 | 127.1 Ų | 127.1 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | trans | -62.8 | 170.4 | -177.7 | 56.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 23 | P | 52 | Low | 50.2 | Low | 123 Ų | 123 | 125.8 Ų | 125.8 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | -147.3 | 143.3 | 91.1 | 35.3 | -16.5 | 0 | 0 | 0 | 117.6 | |||||
| 24 | A | 44.1 | Very low | 50.3 | Low | 96 Ų | 96 | 125.7 Ų | 125.7 | 79% | 0.793 | 78% | 0.777 | S | S | * | * | trans | 41.7 | 129.3 | 136.7 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 25 | S | 43.4 | Very low | 50.2 | Low | 121 Ų | 121 | 126.7 Ų | 126.7 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | trans | 80.1 | 104.8 | 134.9 | -134.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 26 | A | 54 | Low | 50.6 | Low | 94 Ų | 94 | 128 Ų | 128 | 78% | 0.777 | 78% | 0.778 | S | S | * | * | trans | -161.5 | 128.3 | 134.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 27 | D | 55.5 | Low | 51.4 | Low | 158 Ų | 158 | 128 Ų | 128 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | trans | -46.1 | 130.7 | 174.9 | -64.8 | -83.6 | 0 | 0 | 0 | 113.3 | ||||
| 28 | N | 50.8 | Low | 51.8 | Low | 160 Ų | 160 | 126.9 Ų | 126.9 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | trans | -144.6 | 120.7 | 151.4 | -154.1 | -4.6 | 0 | 0 | 0 | 110.8 | ||||
| 29 | I | 54.9 | Low | 52.7 | Low | 149 Ų | 149 | 123.7 Ų | 123.7 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -71 | 129.3 | -169 | -67.8 | 155.3 | 0 | 0 | 0 | 109.3 | P31 | I29-P31 WeakPolarHBondContact O-CD 3.3Š|
| 30 | S | 52.3 | Low | 53.5 | Low | 112 Ų | 112 | 124.4 Ų | 124.4 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 127.2 | 168.5 | -82.8 | 0 | 0 | 0 | 0 | 111.2 | ||
| 31 | P | 57.6 | Low | 54.7 | Low | 125 Ų | 125 | 123 Ų | 123 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 130.6 | 155.3 | 30.1 | -27.7 | 0 | 0 | 0 | 109.4 | I29 | I29-P31 WeakPolarHBondContact O-CD 3.3Š|
| 32 | A | 60.9 | Low | 55.5 | Low | 85 Ų | 85 | 119.8 Ų | 119.8 | 70% | 0.702 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 157.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A34 | A32-A34 PolarHBondContact O-N 3.15Š|
| 33 | P | 59.2 | Low | 56.3 | Low | 121 Ų | 121 | 121 Ų | 121 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 127.5 | 174 | 27.8 | -33.5 | 0 | 0 | 0 | 110.1 | D35 | P33-D35 PolarHBondContact O-N 3.34Š|
| 34 | A | 57 | Low | 56.7 | Low | 96 Ų | 96 | 122 Ų | 122 | 79% | 0.793 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 123.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | A32 N36 | A32-A34 PolarHBondContact O-N 3.15Å; A34-N36 PolarHBondContact O-N 2.92Å |
| 35 | D | 55 | Low | 57.6 | Low | 148 Ų | 148 | 123.4 Ų | 123.4 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | trans | -55.8 | 106.1 | 168.3 | -71.7 | -54.7 | 0 | 0 | 0 | 110 | P33 I37 | P33-D35 PolarHBondContact O-N 3.34Å; D35-I37 VanDerWaalsContact C-N 3.26Å; D35-I37 HydrophobicContact CB-CG1 4.29Å; D35-I37 PolarHBondContact O-N 2.97Å | ||
| 36 | N | 54.6 | Low | 58.7 | Low | 152 Ų | 152 | 122.5 Ų | 122.5 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | trans | -78.3 | 81.5 | 169 | -168 | 13.1 | 0 | 0 | 0 | 108.4 | A34 S38 | A34-N36 PolarHBondContact O-N 2.92Å; N36-S38 PolarHBondContact O-N 2.99Å; N36-S38 VanDerWaalsContact O-N 3.09Å | ||
| 37 | I | 59.3 | Low | 59.4 | Low | 143 Ų | 143 | 123.9 Ų | 123.9 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | trans | -67.1 | 105.3 | 171.9 | -59.9 | 172.4 | 0 | 0 | 0 | 107.3 | D35 | D35-I37 VanDerWaalsContact C-N 3.26Å; D35-I37 HydrophobicContact CB-CG1 4.29Å; D35-I37 PolarHBondContact O-N 2.97Å | ||
| 38 | S | 57.3 | Low | 60.1 | Low | 96 Ų | 96 | 120.6 Ų | 120.6 | 67% | 0.671 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 129.9 | 167.9 | -72.9 | 0 | 0 | 0 | 0 | 109.5 | N36 A40 | N36-S38 PolarHBondContact O-N 2.99Å; N36-S38 VanDerWaalsContact O-N 3.09Å; S38-A40 PolarHBondContact O-N 3.31Å |
| 39 | P | 63.3 | Low | 60.8 | Low | 124 Ų | 124 | 118.9 Ų | 118.9 | 81% | 0.805 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 127.8 | 170.4 | 26.5 | -31 | 0 | 0 | 0 | 108.9 | ||
| 40 | A | 65.9 | Low | 61.2 | Low | 87 Ų | 87 | 115.8 Ų | 115.8 | 72% | 0.719 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 145.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | S38 A42 | S38-A40 PolarHBondContact O-N 3.31Å; A40-A42 PolarHBondContact O-N 3.23Å |
| 41 | P | 63 | Low | 61.7 | Low | 124 Ų | 124 | 117.2 Ų | 117.2 | 81% | 0.805 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 129.9 | 177.1 | 27.1 | -33.1 | 0 | 0 | 0 | 109.6 | D43 | P41-D43 PolarHBondContact O-N 3.33Š|
| 42 | A | 60.9 | Low | 61.9 | Low | 82 Ų | 82 | 118.3 Ų | 118.3 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 121 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | A40 I44 | A40-A42 PolarHBondContact O-N 3.23Å; A42-I44 HydrophobicContact CB-CG1 4.33Å; A42-I44 PolarHBondContact O-N 3.06Å |
| 43 | D | 60.4 | Low | 62 | Low | 144 Ų | 144 | 120.1 Ų | 120.1 | 77% | 0.77 | 75% | 0.746 | S | S | * | * | trans | -73.5 | 74.9 | 176.9 | -153.1 | -10.9 | 0 | 0 | 0 | 108.9 | P41 N45 | P41-D43 PolarHBondContact O-N 3.33Å; D43-N45 VanDerWaalsContact C-N 3.29Å; D43-N45 PolarHBondContact O-N 3.48Å; D43-N45 VanDerWaalsContact O-N 3.14Å; D43-N45 PolarHBondContact OD1-ND2 3.4Å | ||
| 44 | I | 61.8 | Low | 62.3 | Low | 146 Ų | 146 | 119.4 Ų | 119.4 | 75% | 0.749 | 74% | 0.741 | S | S | * | * | trans | -80.5 | 86.2 | 169.2 | -56.4 | 175.8 | 0 | 0 | 0 | 105.9 | A42 P46 | A42-I44 HydrophobicContact CB-CG1 4.33Å; A42-I44 PolarHBondContact O-N 3.06Å; I44-P46 VanDerWaalsContact O-CD 3.31Å; I44-P46 WeakPolarHBondContact O-CD 3.27Å | ||
| 45 | N | 63.2 | Low | 62.9 | Low | 124 Ų | 124 | 120.7 Ų | 120.7 | 66% | 0.663 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 119.3 | 163.2 | -86.2 | -73.1 | 0 | 0 | 0 | 107.9 | D43 | D43-N45 VanDerWaalsContact C-N 3.29Å; D43-N45 PolarHBondContact O-N 3.48Å; D43-N45 VanDerWaalsContact O-N 3.14Å; D43-N45 PolarHBondContact OD1-ND2 3.4Å |
| 46 | P | 66.2 | Low | 63.5 | Low | 102 Ų | 102 | 117.9 Ų | 117.9 | 66% | 0.662 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -63 | 137.8 | 173.1 | 26.1 | -31.8 | 0 | 0 | 0 | 108.6 | I44 A48 | I44-P46 VanDerWaalsContact O-CD 3.31Å; I44-P46 WeakPolarHBondContact O-CD 3.27Å; P46-A48 PolarHBondContact O-N 3.09Å |
| 47 | P | 69.3 | Low | 64 | Low | 123 Ų | 123 | 116.7 Ų | 116.7 | 80% | 0.799 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 135.9 | 172.7 | 24.8 | -32.1 | 0 | 0 | 0 | 108.9 | ||
| 48 | A | 69.4 | Low | 64 | Low | 90 Ų | 90 | 114 Ų | 114 | 74% | 0.744 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 141.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | P46 A50 | P46-A48 PolarHBondContact O-N 3.09Å; A48-A50 PolarHBondContact O-N 3.32Å |
| 49 | P | 65.9 | Low | 64.2 | Low | 124 Ų | 124 | 116.2 Ų | 116.2 | 81% | 0.805 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 125.9 | 178.8 | 25.1 | -32.6 | 0 | 0 | 0 | 108.8 | D51 | P49-D51 PolarHBondContact O-N 2.87Š|
| 50 | A | 63.6 | Low | 63.9 | Low | 84 Ų | 84 | 117.4 Ų | 117.4 | 69% | 0.694 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 124.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | A48 I52 | A48-A50 PolarHBondContact O-N 3.32Å; A50-I52 PolarHBondContact O-N 2.99Å |
| 51 | D | 61.5 | Low | 63.6 | Low | 142 Ų | 142 | 119.2 Ų | 119.2 | 76% | 0.759 | 74% | 0.738 | S | S | * | * | trans | -71.6 | 77.1 | -178 | -146.8 | -8.2 | 0 | 0 | 0 | 108.9 | P49 N53 | P49-D51 PolarHBondContact O-N 2.87Å; D51-N53 PolarHBondContact O-N 2.87Å | ||
| 52 | I | 62.7 | Low | 63.6 | Low | 148 Ų | 148 | 118.4 Ų | 118.4 | 76% | 0.759 | 73% | 0.732 | S | S | * | * | trans | -78.9 | 83.2 | 170.3 | -55.1 | 175.5 | 0 | 0 | 0 | 105.9 | A50 P54 | A50-I52 PolarHBondContact O-N 2.99Å; I52-P54 VanDerWaalsContact O-CD 3.26Å; I52-P54 WeakPolarHBondContact O-CD 3.26Å | ||
| 53 | N | 62.3 | Low | 63.7 | Low | 123 Ų | 123 | 120.4 Ų | 120.4 | 66% | 0.658 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 117 | 161.8 | -85.5 | -68.7 | 0 | 0 | 0 | 107.6 | D51 | D51-N53 PolarHBondContact O-N 2.87Š|
| 54 | P | 65.8 | Low | 63.8 | Low | 105 Ų | 105 | 117.8 Ų | 117.8 | 68% | 0.682 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -63 | 136.1 | 172.9 | 26.1 | -31.7 | 0 | 0 | 0 | 108.5 | I52 A56 | I52-P54 VanDerWaalsContact O-CD 3.26Å; I52-P54 WeakPolarHBondContact O-CD 3.26Å; P54-A56 PolarHBondContact O-N 3.24Å |
| 55 | P | 69.1 | Low | 63.7 | Low | 124 Ų | 124 | 116.8 Ų | 116.8 | 81% | 0.805 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 136.5 | 173.4 | 24.8 | -31.9 | 0 | 0 | 0 | 109.2 | ||
| 56 | A | 68 | Low | 63.3 | Low | 89 Ų | 89 | 115.2 Ų | 115.2 | 74% | 0.736 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 141.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | P54 A58 | P54-A56 PolarHBondContact O-N 3.24Å; A56-A58 PolarHBondContact O-N 3.39Å |
| 57 | P | 64.7 | Low | 62.4 | Low | 127 Ų | 127 | 118.3 Ų | 118.3 | 83% | 0.825 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 126.8 | 178.5 | 25.6 | -32.5 | 0 | 0 | 0 | 109.3 | D59 | P57-D59 PolarHBondContact O-N 3.11Š|
| 58 | A | 60.8 | Low | 61.7 | Low | 85 Ų | 85 | 120.1 Ų | 120.1 | 70% | 0.702 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 128.8 | 171 | 0 | 0 | 0 | 0 | 0 | 108.9 | A56 I60 | A56-A58 PolarHBondContact O-N 3.39Å; A58-I60 VanDerWaalsContact C-N 3.3Å; A58-I60 PolarHBondContact O-N 3.39Å |
| 59 | D | 59.6 | Low | 61.2 | Low | 143 Ų | 143 | 122.3 Ų | 122.3 | 77% | 0.765 | 76% | 0.756 | S | S | * | * | trans | -70.1 | 83 | -177.4 | -148.2 | -6.2 | 0 | 0 | 0 | 109.4 | P57 N61 | P57-D59 PolarHBondContact O-N 3.11Å; D59-N61 VanDerWaalsContact C-N 3.28Å; D59-N61 PolarHBondContact O-N 3.04Å; D59-N61 VanDerWaalsContact O-N 3.09Å | ||
| 60 | I | 58.9 | Low | 60.4 | Low | 149 Ų | 149 | 121.9 Ų | 121.9 | 76% | 0.764 | 75% | 0.753 | S | S | * | * | trans | -80.2 | 85.2 | 170.5 | -56.4 | 176.1 | 0 | 0 | 0 | 106.6 | A58 P62 | A58-I60 VanDerWaalsContact C-N 3.3Å; A58-I60 PolarHBondContact O-N 3.39Å; I60-P62 VanDerWaalsContact O-CD 3.27Å; I60-P62 WeakPolarHBondContact O-CD 3.48Å | ||
| 61 | N | 58.7 | Low | 59.5 | Low | 125 Ų | 125 | 123.2 Ų | 123.2 | 67% | 0.668 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 116.5 | 161.8 | -86.5 | -65.6 | 0 | 0 | 0 | 108.2 | D59 | D59-N61 VanDerWaalsContact C-N 3.28Å; D59-N61 PolarHBondContact O-N 3.04Å; D59-N61 VanDerWaalsContact O-N 3.09Å |
| 62 | P | 63 | Low | 59.2 | Low | 107 Ų | 107 | 121 Ų | 121 | 70% | 0.695 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 136.3 | 171.6 | 27.2 | -31.8 | 0 | 0 | 0 | 109.3 | I60 | I60-P62 VanDerWaalsContact O-CD 3.27Å; I60-P62 WeakPolarHBondContact O-CD 3.48Å |
| 63 | P | 63.3 | Low | 58.9 | Low | 125 Ų | 125 | 119.6 Ų | 119.6 | 81% | 0.812 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 138.3 | 175.3 | 26.4 | -32 | 0 | 0 | 0 | 110.1 | ||
| 64 | A | 61.8 | Low | 57.9 | Low | 88 Ų | 88 | 117.8 Ų | 117.8 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 143.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A66 | A64-A66 PolarHBondContact O-N 2.8Š|
| 65 | P | 60.8 | Low | 57.1 | Low | 125 Ų | 125 | 120.4 Ų | 120.4 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 130.7 | 177 | 27.4 | -32.8 | 0 | 0 | 0 | 110.1 | D67 | P65-D67 PolarHBondContact O-N 3.19Š|
| 66 | A | 52.9 | Low | 56 | Low | 91 Ų | 91 | 122.2 Ų | 122.2 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 131.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111 | A64 I68 | A64-A66 PolarHBondContact O-N 2.8Å; A66-I68 PolarHBondContact O-N 3.48Å |
| 67 | D | 49.3 | Very low | 55 | Low | 167 Ų | 167 | 125 Ų | 125 | 89% | 0.893 | 77% | 0.771 | S | S | * | * | trans | -60.8 | 103.6 | 172.9 | -74.8 | -50.4 | 0 | 0 | 0 | 110.8 | P65 N69 | P65-D67 PolarHBondContact O-N 3.19Å; D67-N69 PolarHBondContact O-N 3.18Å | ||
| 68 | I | 54.5 | Low | 54.2 | Low | 162 Ų | 162 | 124.2 Ų | 124.2 | 83% | 0.831 | 77% | 0.767 | S | S | * | * | trans | -86.1 | 97.4 | 167.1 | -44 | 178.7 | 0 | 0 | 0 | 106.9 | A66 P70 | A66-I68 PolarHBondContact O-N 3.48Å; I68-P70 VanDerWaalsContact O-CD 3.3Å; I68-P70 WeakPolarHBondContact O-CD 3.38Å | ||
| 69 | N | 57.7 | Low | 53.6 | Low | 135 Ų | 135 | 126 Ų | 126 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | trans | -72.6 | 114.4 | 172.7 | -177.5 | 0.2 | 0 | 0 | 0 | 110 | D67 S71 | D67-N69 PolarHBondContact O-N 3.18Å; N69-S71 PolarHBondContact O-N 3.45Å | ||
| 70 | P | 48.7 | Very low | 52.7 | Low | 115 Ų | 115 | 123.7 Ų | 123.7 | 75% | 0.747 | 77% | 0.772 | S | S | * | * | trans | -80.2 | 104.7 | 173.3 | 30.7 | -29.3 | 0 | 0 | 0 | 109.9 | I68 A72 | I68-P70 VanDerWaalsContact O-CD 3.3Å; I68-P70 WeakPolarHBondContact O-CD 3.38Å; P70-A72 PolarHBondContact O-N 3.35Å | ||
| 71 | S | 45.1 | Very low | 52.2 | Low | 112 Ų | 112 | 121.8 Ų | 121.8 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | trans | -65.3 | 116.5 | 163.9 | -110.2 | 0 | 0 | 0 | 0 | 109.9 | N69 | N69-S71 PolarHBondContact O-N 3.45Š| ||
| 72 | A | 55.9 | Low | 51.2 | Low | 95 Ų | 95 | 122 Ų | 122 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -67.8 | 151.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | P70 | P70-A72 PolarHBondContact O-N 3.35Š| ||
| 73 | P | 55.4 | Low | 49.9 | Very low | 120 Ų | 120 | 121.3 Ų | 121.3 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | trans | -126.3 | 124 | 149.4 | 30.4 | -15.9 | 0 | 0 | 0 | 113.3 | ||||
| 74 | A | 42.7 | Very low | 49.1 | Very low | 85 Ų | 85 | 120.9 Ų | 120.9 | 70% | 0.702 | 78% | 0.776 | S | S | * | * | trans | 54.5 | 106.4 | 134.6 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 75 | D | 48.8 | Very low | 47.6 | Very low | 159 Ų | 159 | 122 Ų | 122 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | trans | 14.9 | 108 | 131 | -62 | -43.5 | 0 | 0 | 0 | 118.7 | ||||
| 76 | I | 44.6 | Very low | 46.3 | Very low | 163 Ų | 163 | 124 Ų | 124 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | trans | -127.3 | 110.1 | 151.8 | -59.8 | -179.7 | 0 | 0 | 0 | 108.5 | ||||
| 77 | I | 47.2 | Very low | 45.5 | Very low | 146 Ų | 146 | 124 Ų | 124 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 129.9 | 176.9 | -61.1 | 159.8 | 0 | 0 | 0 | 109.3 | ||
| 78 | P | 47.7 | Very low | 44.9 | Very low | 112 Ų | 112 | 124.6 Ų | 124.6 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -87 | 138 | 165.7 | 32.7 | -29.6 | 0 | 0 | 0 | 110.5 | ||
| 79 | P | 48.6 | Very low | 44 | Very low | 123 Ų | 123 | 122.8 Ų | 122.8 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 124.7 | 167.9 | 32.2 | -27.6 | 0 | 0 | 0 | 110.2 | ||
| 80 | A | 42 | Very low | 42.6 | Very low | 93 Ų | 93 | 123 Ų | 123 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 153.4 | 154.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 81 | P | 48.2 | Very low | 42.1 | Very low | 109 Ų | 109 | 125.9 Ų | 125.9 | 71% | 0.708 | 77% | 0.772 | S | S | * | * | -147.3 | 137.2 | 107.8 | 36.2 | -19 | 0 | 0 | 0 | 115.7 | |||||
| 82 | T | 36.2 | Very low | 41.3 | Very low | 131 Ų | 131 | 127.4 Ų | 127.4 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | 55.4 | 111.2 | 135.5 | 56.5 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 83 | A | 37.3 | Very low | 40.2 | Very low | 92 Ų | 92 | 129.1 Ų | 129.1 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | trans | -63.5 | 162.1 | 145.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 84 | P | 46.3 | Very low | 39.9 | Very low | 116 Ų | 116 | 129 Ų | 129 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | -151.7 | 153.2 | 79.5 | 38.5 | -18.2 | 0 | 0 | 0 | 117.5 | |||||
| 85 | T | 29.4 | Very low | 39.5 | Very low | 111 Ų | 111 | 129.3 Ų | 129.3 | 68% | 0.681 | 78% | 0.779 | S | S | * | * | 81.1 | 111.4 | 128.7 | -68 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 86 | Q | 33 | Very low | 39.1 | Very low | 166 Ų | 166 | 129.5 Ų | 129.5 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | 82.4 | 118.6 | 132.2 | -75.6 | 176.5 | 37.2 | 0 | 0 | 123.7 | ||||
| 87 | S | 37.7 | Very low | 38.7 | Very low | 93 Ų | 93 | 130.1 Ų | 130.1 | 65% | 0.65 | 77% | 0.772 | S | S | * | * | 81.6 | 123.3 | 118.6 | -64.7 | 0 | 0 | 0 | 0 | 122 | |||||
| 88 | Q | 35.2 | Very low | 38.4 | Very low | 179 Ų | 179 | 133.2 Ų | 133.2 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | trans | 105.2 | 111.1 | 141.4 | -71 | 174.3 | 35 | 0 | 0 | 121 | ||||
| 89 | V | 37.3 | Very low | 38.5 | Very low | 123 Ų | 123 | 132.2 Ų | 132.2 | 75% | 0.745 | 78% | 0.782 | S | S | * | * | trans | 31.2 | 121.8 | 130.7 | -151.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 90 | T | 27.6 | Very low | 38.3 | Very low | 139 Ų | 139 | 135.1 Ų | 135.1 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | 171 | 147.9 | 112.5 | 32.4 | 0 | 0 | 0 | 0 | 113 | |||||
| 91 | M | 37 | Very low | 38.7 | Very low | 177 Ų | 177 | 138.3 Ų | 138.3 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | trans | -65.8 | 139.6 | -177 | -59.4 | -108.7 | -85.4 | 0 | 0 | 113.1 | ||||
| 92 | T | 30 | Very low | 38.8 | Very low | 144 Ų | 144 | 139.2 Ų | 139.2 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | trans | -174.3 | 117.7 | 137.5 | 6.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 93 | T | 33 | Very low | 39.7 | Very low | 130 Ų | 130 | 138 Ų | 138 | 80% | 0.798 | 78% | 0.784 | S | S | * | * | trans | -62.7 | 172 | 150.4 | -1.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 94 | P | 48.4 | Very low | 40.3 | Very low | 117 Ų | 117 | 139.5 Ų | 139.5 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | cis | -137.4 | 179.6 | -6.5 | 37.1 | -17.1 | 0 | 0 | 0 | 115 | ||||
| 95 | A | 34.1 | Very low | 40.7 | Very low | 92 Ų | 92 | 139.5 Ų | 139.5 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | trans | 117.4 | 102 | 150 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 96 | E | 39.4 | Very low | 42.3 | Very low | 163 Ų | 163 | 142.9 Ų | 142.9 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | 56 | 106.4 | 124.9 | -135.7 | -176.1 | 106.1 | 0 | 0 | 119.1 | |||||
| 97 | K | 36.4 | Very low | 43.2 | Very low | 177 Ų | 177 | 143.4 Ų | 143.4 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | 158.5 | 104.3 | 117.2 | -79.8 | 154.3 | -158.1 | -178.4 | 0 | 112.2 | |||||
| 98 | K | 42 | Very low | 44 | Very low | 210 Ų | 210 | 147.7 Ų | 147.7 | 91% | 0.913 | 80% | 0.804 | S | S | * | * | trans | 42.5 | 102.1 | 133.4 | -162.7 | -177.8 | -173.5 | -176.3 | 0 | 118.5 | ||||
| 99 | A | 50.3 | Low | 44.8 | Very low | 92 Ų | 92 | 148.1 Ų | 148.1 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | 160.4 | 101.6 | 125.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 100 | E | 42.8 | Very low | 45.7 | Very low | 184 Ų | 184 | 150.6 Ų | 150.6 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | -149.5 | 115.3 | 158.7 | -68.6 | -168.6 | 135.3 | 0 | 0 | 105.6 | ||||
| 101 | D | 50.5 | Low | 47.1 | Very low | 160 Ų | 160 | 152.6 Ų | 152.6 | 86% | 0.856 | 81% | 0.809 | S | S | * | * | 61.1 | 97.1 | 90.2 | -156.1 | -108.6 | 0 | 0 | 0 | 110.9 | |||||
| 102 | V | 50.8 | Low | 48.2 | Very low | 128 Ų | 128 | 150.4 Ų | 150.4 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | -106.4 | 104.8 | -177.2 | -161.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 103 | V | 55.2 | Low | 50.2 | Low | 105 Ų | 105 | 152.5 Ų | 152.5 | 64% | 0.636 | 80% | 0.796 | S | S | * | * | trans | -20.7 | 134.9 | 154.7 | -93.3 | 0 | 0 | 0 | 0 | 114.5 | V105 | V103-V105 PolarHBondContact O-N 3.19Å; V103-V105 VanDerWaalsContact O-N 3.13Å | ||
| 104 | P | 50.9 | Low | 52.3 | Low | 123 Ų | 123 | 151.5 Ų | 151.5 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | trans | -67.8 | 112.4 | 164.7 | 28.9 | -27.6 | 0 | 0 | 0 | 107.2 | E106 | P104-E106 PolarHBondContact O-N 3.42Š| ||
| 105 | V | 54.5 | Low | 53.8 | Low | 117 Ų | 117 | 150.4 Ų | 150.4 | 71% | 0.709 | 77% | 0.769 | S | S | * | * | trans | -69.6 | 108 | 169.8 | 177.3 | 0 | 0 | 0 | 0 | 106 | V103 E107 | V103-V105 PolarHBondContact O-N 3.19Å; V103-V105 VanDerWaalsContact O-N 3.13Å; V105-E107 PolarHBondContact O-N 2.9Å; V105-E107 VanDerWaalsContact O-N 3.14Å | ||
| 106 | E | 61.4 | Low | 56.2 | Low | 181 Ų | 181 | 147.4 Ų | 147.4 | 85% | 0.846 | 74% | 0.742 | S | S | * | * | trans | -63.5 | 107.1 | 159.2 | -70.5 | -177.2 | 161.1 | 0 | 0 | 105.7 | P104 E108 | P104-E106 PolarHBondContact O-N 3.42Å; E106-E108 VanDerWaalsContact C-N 3.33Å; E106-E108 PolarHBondContact O-N 3.18Å | ||
| 107 | E | 52.9 | Low | 58.4 | Low | 178 Ų | 178 | 144.4 Ų | 144.4 | 83% | 0.832 | 73% | 0.728 | S | S | * | * | trans | -64 | 97.8 | 169.3 | -71.5 | 176.4 | 158.2 | 0 | 0 | 106.7 | V105 E109 | V105-E107 PolarHBondContact O-N 2.9Å; V105-E107 VanDerWaalsContact O-N 3.14Å; E107-E109 PolarHBondContact O-N 3.05Å | ||
| 108 | E | 54.1 | Low | 60.6 | Low | 183 Ų | 183 | 141.5 Ų | 141.5 | 86% | 0.855 | 72% | 0.715 | S | S | * | * | trans | -60.6 | 103.6 | 159.7 | -75.5 | 179.4 | 156 | 0 | 0 | 106 | E106 E110 | E106-E108 VanDerWaalsContact C-N 3.33Å; E106-E108 PolarHBondContact O-N 3.18Å; E108-E110 VanDerWaalsContact C-N 3.33Å; E108-E110 PolarHBondContact O-N 3.3Å | ||
| 109 | E | 53.2 | Low | 62.8 | Low | 188 Ų | 188 | 131.9 Ų | 131.9 | 88% | 0.879 | 67% | 0.674 | S | S | * | * | trans | -58.2 | 99.2 | 167.6 | -86.5 | -179 | 149.7 | 0 | 0 | 107.1 | E107 E111 | E107-E109 PolarHBondContact O-N 3.05Å; E109-E111 PolarHBondContact O-N 2.93Å | ||
| 110 | E | 54.3 | Low | 64.3 | Low | 174 Ų | 174 | 130.7 Ų | 130.7 | 81% | 0.813 | 65% | 0.654 | S | S | * | * | trans | -58.3 | 111.7 | 168.7 | -83.7 | -179.5 | 152.4 | 0 | 0 | 107.5 | E108 E112 | E108-E110 VanDerWaalsContact C-N 3.33Å; E108-E110 PolarHBondContact O-N 3.3Å; E110-E112 VanDerWaalsContact C-N 3.33Å; E110-E112 PolarHBondContact O-N 3Å | ||
| 111 | E | 57.7 | Low | 66.2 | Low | 182 Ų | 182 | 125.4 Ų | 125.4 | 85% | 0.85 | 63% | 0.632 | S | S | * | * | trans | -64.3 | 93.8 | 172.6 | -69.2 | 176.3 | 178.7 | 0 | 0 | 108.3 | E109 E113 | E109-E111 PolarHBondContact O-N 2.93Å; E111-E113 PolarHBondContact O-N 3.45Å | ||
| 112 | E | 59.9 | Low | 68 | Low | 130 Ų | 130 | 123.4 Ų | 123.4 | 61% | 0.607 | 61% | 0.612 | S | S | * | * | trans | -68.2 | 113.1 | -178.8 | -69.4 | 173.8 | 161.2 | 0 | 0 | 110.1 | E110 Y114 | E110-E112 VanDerWaalsContact C-N 3.33Å; E110-E112 PolarHBondContact O-N 3Å; E112-Y114 HydrophobicContact CB-CD2 4.25Å; E112-Y114 HydrophobicContact CB-CE2 3.52Å; E112-Y114 WeakPolarHBondContact O-CD2 3.49Å; E112-Y114 WeakPolarHBondContact O-CE2 3.34Å; E112-Y114 PolarHBondContact O-N 3.36Å; E112-Y114 PolarHBondContact OE2-OH 2.85Å | ||
| 113 | E | 71.5 | Confident | 69.6 | Low | 189 Ų | 189 | 121.8 Ų | 121.8 | 88% | 0.883 | 59% | 0.592 | S | S | * | * | trans | -74.6 | 111.7 | 176 | -69.2 | 178 | -154.7 | 0 | 0 | 111 | E111 | E111-E113 PolarHBondContact O-N 3.45Š| ||
| 114 | Y | 78 | Confident | 71.3 | Confident | 109 Ų | 109 | 121.1 Ų | 121.1 | 43% | 0.427 | 59% | 0.588 | S | S | . | * | P | Polyproline II helix | trans | -99.1 | 138.8 | 177.2 | -66.8 | -87.6 | 0 | 0 | 0 | 112.2 | E112 V116 W135 F138 | E112-Y114 HydrophobicContact CB-CD2 4.25Å; E112-Y114 HydrophobicContact CB-CE2 3.52Å; E112-Y114 WeakPolarHBondContact O-CD2 3.49Å; E112-Y114 WeakPolarHBondContact O-CE2 3.34Å; E112-Y114 PolarHBondContact O-N 3.36Å; E112-Y114 PolarHBondContact OE2-OH 2.85Å; Y114-V116 PolarHBondContact O-N 3.14Å; Y114-W135 VanDerWaalsContact CB-CE3 3.41Å; Y114-W135 HydrophobicContact CG-CE3 4.49Å; Y114-W135 WeakPolarHBondContact O-CZ3 3.31Å; Y114-F138 HydrophobicContact CD1-CE2 4.04Å; Y114-F138 HydrophobicContact CD1-CZ 4.25Å; Y114-F138 HydrophobicContact CE1-CE2 4.31Å; Y114-F138 HydrophobicContact CE1-CZ 4.05Å |
| 115 | V | 80.5 | Confident | 73 | Confident | 93 Ų | 93 | 117.8 Ų | 117.8 | 56% | 0.564 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 119.3 | 179.3 | -179.8 | 0 | 0 | 0 | 0 | 110.8 | E117 K136 | V115-E117 PolarHBondContact O-N 3.13Å; V115-K136 HydrophobicContact CB-CB 4.16Å; V115-K136 HydrophobicContact CB-CD 4.42Å; V115-K136 HydrophobicContact CG1-CB 4.05Å; V115-K136 HydrophobicContact CG1-CD 3.78Å; V115-K136 VanDerWaalsContact O-CB 3.31Å; V115-K136 WeakPolarHBondContact O-CB 3.31Å; V115-K136 PolarHBondContact O-N 3.14Å |
| 116 | V | 84.1 | Confident | 74.3 | Confident | 29 Ų | 29 | 122 Ų | 122 | 18% | 0.176 | 57% | 0.574 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -73.8 | 122.6 | 174.4 | -173 | 0 | 0 | 0 | 0 | 110.6 | Y114 L133 W135 L156 | Y114-V116 PolarHBondContact O-N 3.14Å; V116-L133 HydrophobicContact CB-CD1 4.39Å; V116-L133 HydrophobicContact CG1-CB 4.31Å; V116-L133 HydrophobicContact CG1-CD1 4.03Å; V116-L133 HydrophobicContact CG1-CD2 3.8Å; V116-L133 HydrophobicContact CG1-CG 4.27Å; V116-L133 HydrophobicContact CG2-CD1 3.49Å; V116-L133 VanDerWaalsContact CG2-CD1 3.49Å; V116-W135 HydrophobicContact CG2-CE3 4.31Å; V116-W135 HydrophobicContact CG2-CZ3 3.85Å; V116-L156 HydrophobicContact CB-CD1 4.21Å; V116-L156 HydrophobicContact CG1-CD1 3.87Å |
| 117 | E | 85.2 | Confident | 75.5 | Confident | 101 Ų | 101 | 116.7 Ų | 116.7 | 47% | 0.472 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.8 | -44.9 | 171.5 | -165.7 | -174.2 | 149.9 | 0 | 0 | 110.7 | V115 K134 K136 | V115-E117 PolarHBondContact O-N 3.13Å; E117-K134 WeakPolarHBondContact CA-O 3.14Å; E117-K134 HydrophobicContact CB-CB 4.34Å; E117-K134 HydrophobicContact CB-CG 4.01Å; E117-K134 WeakPolarHBondContact CB-O 3.5Å; E117-K134 HydrophobicContact CG-CG 4.46Å; E117-K134 PolarHBondContact N-O 2.98Å; E117-K134 IonicContact OE2-NZ 3.56Å; E117-K134 PolarHBondContact OE2-NZ 3.06Å; E117-K136 HydrophobicContact CB-CB 4.07Å |
| 118 | K | 83.3 | Confident | 76.8 | Confident | 116 Ų | 116 | 116.2 Ų | 116.2 | 50% | 0.504 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -162.8 | 143 | -174.9 | -168.2 | 175.1 | 176.7 | -175.4 | 0 | 113.6 | L120 K134 | K118-L120 HydrophobicContact CD-CD2 4.11Å; K118-L120 HydrophobicContact CG-CD2 4.33Å; K118-K134 HydrophobicContact CB-CB 4.18Å; K118-K134 PolarHBondContact N-O 2.96Å; K118-K134 PolarHBondContact O-N 2.73Å |
| 119 | V | 86.9 | Confident | 78.3 | Confident | 8 Ų | 8 | 109.2 Ų | 109.2 | 5% | 0.048 | 53% | 0.529 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 115.2 | 165.8 | 178.5 | 0 | 0 | 0 | 0 | 109.4 | Y131 L133 L156 I157 F160 | V119-Y131 HydrophobicContact CG1-CD1 3.6Å; V119-Y131 HydrophobicContact CG1-CE1 4.42Å; V119-Y131 HydrophobicContact CG1-CG 4.31Å; V119-L133 HydrophobicContact CG2-CD2 3.9Å; V119-L156 HydrophobicContact CG2-CB 3.93Å; V119-I157 HydrophobicContact CG2-CG1 3.93Å; V119-F160 HydrophobicContact CB-CB 4.19Å; V119-F160 HydrophobicContact CB-CG 4.44Å; V119-F160 HydrophobicContact CG1-CB 3.96Å; V119-F160 HydrophobicContact CG1-CD1 4.12Å; V119-F160 HydrophobicContact CG1-CD2 4.07Å; V119-F160 HydrophobicContact CG1-CG 3.77Å |
| 120 | L | 83.4 | Confident | 80 | Confident | 67 Ų | 67 | 102 Ų | 102 | 35% | 0.351 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | -40.3 | -177.7 | -64.1 | -178.5 | 0 | 0 | 0 | 112.4 | K118 L132 K134 N143 F160 | K118-L120 HydrophobicContact CD-CD2 4.11Å; K118-L120 HydrophobicContact CG-CD2 4.33Å; L120-L132 HydrophobicContact CB-CB 4.39Å; L120-L132 HydrophobicContact CB-CD2 4.17Å; L120-L132 HydrophobicContact CB-CG 4.24Å; L120-L132 WeakPolarHBondContact CB-O 3.43Å; L120-L132 HydrophobicContact CD1-CD2 4.39Å; L120-L132 HydrophobicContact CD1-CG 4.46Å; L120-L132 PolarHBondContact N-O 3.35Å; L120-K134 HydrophobicContact CD1-CB 4.06Å; L120-K134 HydrophobicContact CD2-CB 4.37Å; L120-K134 HydrophobicContact CG-CB 4.11Å; L120-N143 WeakPolarHBondContact CD1-ND2 3.28Å; L120-F160 WeakPolarHBondContact O-CE2 3.31Å |
| 121 | N | 82.7 | Confident | 81.5 | Confident | 73 Ų | 73 | 93.9 Ų | 93.9 | 39% | 0.39 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 165.4 | -175.3 | -150.3 | -7.3 | 0 | 0 | 0 | 112.4 | Y131 L132 W145 | N121-Y131 CarbonylContact O-C 3.57Å; N121-Y131 VanDerWaalsContact O-CA 3.27Å; N121-Y131 WeakPolarHBondContact O-CA 3.44Å; N121-L132 HydrophobicContact CB-CB 3.84Å; N121-L132 HydrophobicContact CB-CD2 4.28Å; N121-L132 PolarHBondContact N-O 2.88Å; N121-L132 PolarHBondContact O-N 3.27Å; N121-W145 HydrophobicContact CB-CH2 3.8Å; N121-W145 HydrophobicContact CB-CZ3 4.32Å |
| 122 | R | 87.5 | Confident | 83 | Confident | 117 Ų | 117 | 86.8 Ų | 86.8 | 44% | 0.442 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 134.5 | 174.3 | -173.3 | -168.4 | 82.1 | -177.9 | 5.7 | 109.9 | V129 E130 Y131 F160 | R122-V129 HydrophobicContact CG-CG1 3.6Å; R122-E130 CarbonylContact C-O 3.55Å; R122-E130 WeakPolarHBondContact CA-O 3.23Å; R122-Y131 HydrophobicContact CB-CD1 3.73Å; R122-Y131 HydrophobicContact CB-CE1 3.68Å; R122-Y131 HydrophobicContact CG-CD1 3.76Å; R122-Y131 HydrophobicContact CG-CE1 3.39Å; R122-Y131 HydrophobicContact CG-CE2 4.49Å; R122-Y131 HydrophobicContact CG-CG 4.46Å; R122-F160 HydrophobicContact CB-CD1 4.44Å; R122-F160 HydrophobicContact CB-CE1 3.57Å; R122-F160 HydrophobicContact CB-CZ 4.18Å |
| 123 | R | 85.3 | Confident | 84.3 | Confident | 95 Ų | 95 | 80.6 Ų | 80.6 | 36% | 0.358 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 165.1 | 171.1 | 71.4 | -176.2 | -176.9 | -170.5 | -0.7 | 110.8 | V125 E130 W145 | R123-V125 HydrophobicContact CG-CG2 3.94Å; R123-E130 HydrophobicContact CG-CB 4.03Å; R123-E130 IonicContact CZ-OE2 2.76Å; R123-E130 PolarHBondContact N-O 2.94Å; R123-E130 IonicContact NE-OE2 2.98Å; R123-E130 PolarHBondContact NE-OE2 3.32Å; R123-E130 IonicContact NH2-OE2 3.89Å; R123-E130 PolarHBondContact NH2-OE2 2.84Å; R123-E130 PolarHBondContact O-N 2.88Å; R123-W145 HydrophobicContact CB-CE3 4.5Å; R123-W145 HydrophobicContact CB-CH2 3.95Å; R123-W145 HydrophobicContact CB-CZ3 3.77Å; R123-W145 HydrophobicContact CG-CD2 4.3Å; R123-W145 HydrophobicContact CG-CE3 3.59Å; R123-W145 HydrophobicContact CG-CH2 3.83Å; R123-W145 HydrophobicContact CG-CZ3 3.34Å; R123-W145 VanDerWaalsContact CZ-CD2 3.43Å; R123-W145 VanDerWaalsContact NH2-CG 3.33Å |
| 124 | V | 89.6 | Confident | 85.1 | Confident | 91 Ų | 91 | 73 Ų | 73 | 55% | 0.552 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 115.6 | 172.9 | -176.8 | 0 | 0 | 0 | 0 | 107.6 | R128 V129 | V124-R128 CarbonylContact C-O 3.55Å; V124-R128 WeakPolarHBondContact CA-O 3.47Å; V124-V129 HydrophobicContact CG2-CG2 4.36Å |
| 125 | V | 86.1 | Confident | 85.6 | Confident | 53 Ų | 53 | 69.1 Ų | 69.1 | 32% | 0.321 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 124.5 | -179.9 | 178.5 | 0 | 0 | 0 | 0 | 108.2 | R123 G127 R128 | R123-V125 HydrophobicContact CG-CG2 3.94Å; V125-G127 PolarHBondContact O-N 3.05Å; V125-R128 PolarHBondContact N-O 2.73Å; V125-R128 PolarHBondContact O-N 2.89Å |
| 126 | K | 83.2 | Confident | 85.6 | Confident | 205 Ų | 205 | 71.3 Ų | 71.3 | 89% | 0.891 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 33.7 | 179.7 | -61.3 | 175 | 178.3 | 174.5 | 0 | 113.6 | R128 | K126-R128 VanDerWaalsContact C-N 3.28Å; K126-R128 PolarHBondContact O-N 2.72Å |
| 127 | G | 85.8 | Confident | 85.4 | Confident | 70 Ų | 70 | 73.7 Ų | 73.7 | 72% | 0.722 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.4 | -1.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | V125 | V125-G127 PolarHBondContact O-N 3.05Š|
| 128 | R | 81.4 | Confident | 85.1 | Confident | 167 Ų | 167 | 73.5 Ų | 73.5 | 63% | 0.63 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 141.2 | 172.6 | -59.3 | -173.3 | -144.6 | 175.1 | 4.5 | 110.3 | V124 V125 K126 | V124-R128 CarbonylContact C-O 3.55Å; V124-R128 WeakPolarHBondContact CA-O 3.47Å; V125-R128 PolarHBondContact N-O 2.73Å; V125-R128 PolarHBondContact O-N 2.89Å; K126-R128 VanDerWaalsContact C-N 3.28Å; K126-R128 PolarHBondContact O-N 2.72Å |
| 129 | V | 85.5 | Confident | 84.9 | Confident | 36 Ų | 36 | 70.3 Ų | 70.3 | 22% | 0.218 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 129.9 | 176 | -175.6 | 0 | 0 | 0 | 0 | 108 | R122 V124 Y131 P147 E148 | R122-V129 HydrophobicContact CG-CG1 3.6Å; V124-V129 HydrophobicContact CG2-CG2 4.36Å; V129-Y131 HydrophobicContact CB-CE2 4.48Å; V129-Y131 HydrophobicContact CG1-CD2 4.19Å; V129-Y131 HydrophobicContact CG1-CE2 3.51Å; V129-P147 WeakPolarHBondContact O-CA 3.41Å; V129-E148 HydrophobicContact CB-CB 4.21Å; V129-E148 WeakPolarHBondContact CB-OE2 3.34Å; V129-E148 PolarHBondContact O-N 2.93Å |
| 130 | E | 89.2 | Confident | 84.4 | Confident | 37 Ų | 37 | 75 Ų | 75 | 17% | 0.173 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 143.2 | 174.6 | -66.7 | 173.1 | 178.2 | 0 | 0 | 109.1 | R122 R123 W145 E146 | R122-E130 CarbonylContact C-O 3.55Å; R122-E130 WeakPolarHBondContact CA-O 3.23Å; R123-E130 HydrophobicContact CG-CB 4.03Å; R123-E130 IonicContact CZ-OE2 2.76Å; R123-E130 PolarHBondContact N-O 2.94Å; R123-E130 IonicContact NE-OE2 2.98Å; R123-E130 PolarHBondContact NE-OE2 3.32Å; R123-E130 IonicContact NH2-OE2 3.89Å; R123-E130 PolarHBondContact NH2-OE2 2.84Å; R123-E130 PolarHBondContact O-N 2.88Å; E130-W145 HydrophobicContact CB-CE3 4.05Å; E130-E146 CarbonylContact C-O 3.55Å; E130-E146 VanDerWaalsContact CA-O 3.3Å; E130-E146 WeakPolarHBondContact CA-O 3.2Å |
| 131 | Y | 84.1 | Confident | 84.3 | Confident | 4 Ų | 4 | 78.7 Ų | 78.7 | 2% | 0.016 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 135.6 | 176.8 | -64.3 | -90.5 | 0 | 0 | 0 | 110.4 | V119 N121 R122 V129 W145 E146 E148 L151 I157 F160 | V119-Y131 HydrophobicContact CG1-CD1 3.6Å; V119-Y131 HydrophobicContact CG1-CE1 4.42Å; V119-Y131 HydrophobicContact CG1-CG 4.31Å; N121-Y131 CarbonylContact O-C 3.57Å; N121-Y131 VanDerWaalsContact O-CA 3.27Å; N121-Y131 WeakPolarHBondContact O-CA 3.44Å; R122-Y131 HydrophobicContact CB-CD1 3.73Å; R122-Y131 HydrophobicContact CB-CE1 3.68Å; R122-Y131 HydrophobicContact CG-CD1 3.76Å; R122-Y131 HydrophobicContact CG-CE1 3.39Å; R122-Y131 HydrophobicContact CG-CE2 4.49Å; R122-Y131 HydrophobicContact CG-CG 4.46Å; V129-Y131 HydrophobicContact CB-CE2 4.48Å; V129-Y131 HydrophobicContact CG1-CD2 4.19Å; V129-Y131 HydrophobicContact CG1-CE2 3.51Å; Y131-W145 WeakPolarHBondContact O-CA 3.49Å; Y131-E146 PolarHBondContact N-O 2.85Å; Y131-E146 PolarHBondContact O-N 3.06Å; Y131-E148 HydrophobicContact CD2-CB 4.37Å; Y131-E148 HydrophobicContact CE2-CB 3.93Å; Y131-E148 HydrophobicContact CE2-CG 3.99Å; Y131-L151 HydrophobicContact CD2-CD1 3.56Å; Y131-L151 HydrophobicContact CG-CD1 3.95Å; Y131-I157 HydrophobicContact CD2-CD1 4.44Å; Y131-I157 HydrophobicContact CE1-CG1 4.44Å; Y131-I157 HydrophobicContact CE1-CG2 3.83Å; Y131-I157 HydrophobicContact CE2-CD1 4.25Å; Y131-I157 HydrophobicContact CE2-CG2 4.33Å; Y131-I157 WeakPolarHBondContact OH-CG2 3.01Å; Y131-F160 HydrophobicContact CE1-CD1 4.47Å |
| 132 | L | 89.3 | Confident | 84.2 | Confident | 32 Ų | 32 | 78.7 Ų | 78.7 | 17% | 0.168 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 118 | 171.3 | -177.4 | 66 | 0 | 0 | 0 | 108.2 | L120 N121 N143 T144 W145 | L120-L132 HydrophobicContact CB-CB 4.39Å; L120-L132 HydrophobicContact CB-CD2 4.17Å; L120-L132 HydrophobicContact CB-CG 4.24Å; L120-L132 WeakPolarHBondContact CB-O 3.43Å; L120-L132 HydrophobicContact CD1-CD2 4.39Å; L120-L132 HydrophobicContact CD1-CG 4.46Å; L120-L132 PolarHBondContact N-O 3.35Å; N121-L132 HydrophobicContact CB-CB 3.84Å; N121-L132 HydrophobicContact CB-CD2 4.28Å; N121-L132 PolarHBondContact N-O 2.88Å; N121-L132 PolarHBondContact O-N 3.27Å; L132-N143 HydrophobicContact CD1-CB 3.81Å; L132-N143 HydrophobicContact CG-CB 4.26Å; L132-T144 WeakPolarHBondContact CA-O 3.23Å; L132-T144 WeakPolarHBondContact CD1-O 3.49Å; L132-W145 HydrophobicContact CB-CD2 4.01Å; L132-W145 HydrophobicContact CB-CE3 3.94Å; L132-W145 HydrophobicContact CB-CH2 4Å; L132-W145 HydrophobicContact CB-CZ2 4.04Å; L132-W145 HydrophobicContact CB-CZ3 3.91Å; L132-W145 HydrophobicContact CD1-CD2 4.26Å; L132-W145 HydrophobicContact CD1-CG 4.27Å; L132-W145 HydrophobicContact CD2-CZ2 4.4Å |
| 133 | L | 88 | Confident | 84.2 | Confident | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 143.3 | -178.1 | -59.3 | -171.8 | 0 | 0 | 0 | 112.2 | V116 V119 W135 N143 T144 E146 L151 | V116-L133 HydrophobicContact CB-CD1 4.39Å; V116-L133 HydrophobicContact CG1-CB 4.31Å; V116-L133 HydrophobicContact CG1-CD1 4.03Å; V116-L133 HydrophobicContact CG1-CD2 3.8Å; V116-L133 HydrophobicContact CG1-CG 4.27Å; V116-L133 HydrophobicContact CG2-CD1 3.49Å; V116-L133 VanDerWaalsContact CG2-CD1 3.49Å; V119-L133 HydrophobicContact CG2-CD2 3.9Å; L133-W135 HydrophobicContact CB-CD2 4.48Å; L133-W135 HydrophobicContact CB-CZ2 4.37Å; L133-W135 HydrophobicContact CD1-CE3 4.38Å; L133-W135 HydrophobicContact CD1-CH2 3.5Å; L133-W135 VanDerWaalsContact CD1-CH2 3.5Å; L133-W135 HydrophobicContact CD1-CZ2 3.86Å; L133-W135 HydrophobicContact CD1-CZ3 3.77Å; L133-N143 VanDerWaalsContact O-CA 3.26Å; L133-N143 WeakPolarHBondContact O-CA 3.27Å; L133-N143 VanDerWaalsContact O-CB 3.24Å; L133-N143 WeakPolarHBondContact O-CB 3.46Å; L133-N143 PolarHBondContact O-OD1 2.83Å; L133-N143 VanDerWaalsContact O-OD1 3.13Å; L133-T144 PolarHBondContact N-O 2.88Å; L133-E146 HydrophobicContact CD1-CB 4.24Å; L133-E146 HydrophobicContact CD1-CG 3.98Å; L133-E146 HydrophobicContact CG-CG 4.41Å; L133-L151 HydrophobicContact CD1-CD2 3.24Å; L133-L151 HydrophobicContact CD2-CD1 4.29Å; L133-L151 HydrophobicContact CD2-CD2 4.24Å; L133-L151 HydrophobicContact CG-CD2 4.08Å |
| 134 | K | 88.6 | Confident | 84.2 | Confident | 31 Ų | 31 | 72.9 Ų | 72.9 | 14% | 0.135 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 116.7 | 158.5 | 179.5 | 60.5 | 179 | 60.1 | 0 | 108.4 | E117 K118 L120 F138 D140 N143 | E117-K134 WeakPolarHBondContact CA-O 3.14Å; E117-K134 HydrophobicContact CB-CB 4.34Å; E117-K134 HydrophobicContact CB-CG 4.01Å; E117-K134 WeakPolarHBondContact CB-O 3.5Å; E117-K134 HydrophobicContact CG-CG 4.46Å; E117-K134 PolarHBondContact N-O 2.98Å; E117-K134 IonicContact OE2-NZ 3.56Å; E117-K134 PolarHBondContact OE2-NZ 3.06Å; K118-K134 HydrophobicContact CB-CB 4.18Å; K118-K134 PolarHBondContact N-O 2.96Å; K118-K134 PolarHBondContact O-N 2.73Å; L120-K134 HydrophobicContact CD1-CB 4.06Å; L120-K134 HydrophobicContact CD2-CB 4.37Å; L120-K134 HydrophobicContact CG-CB 4.11Å; K134-F138 WeakPolarHBondContact CE-O 3.3Å; K134-F138 PolarHBondContact NZ-O 3.45Å; K134-D140 HydrophobicContact CD-CB 4.48Å; K134-N143 VanDerWaalsContact CA-OD1 3.3Å; K134-N143 WeakPolarHBondContact CA-OD1 3.22Å; K134-N143 WeakPolarHBondContact CD-OD1 3.38Å |
| 135 | W | 88.6 | Confident | 84.4 | Confident | 27 Ų | 27 | 72.1 Ų | 72.1 | 10% | 0.102 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 138.7 | 176.8 | -57.7 | 112 | 0 | 0 | 0 | 111.1 | Y114 V116 L133 G137 F138 D142 T144 E146 | Y114-W135 VanDerWaalsContact CB-CE3 3.41Å; Y114-W135 HydrophobicContact CG-CE3 4.49Å; Y114-W135 WeakPolarHBondContact O-CZ3 3.31Å; V116-W135 HydrophobicContact CG2-CE3 4.31Å; V116-W135 HydrophobicContact CG2-CZ3 3.85Å; L133-W135 HydrophobicContact CB-CD2 4.48Å; L133-W135 HydrophobicContact CB-CZ2 4.37Å; L133-W135 HydrophobicContact CD1-CE3 4.38Å; L133-W135 HydrophobicContact CD1-CH2 3.5Å; L133-W135 VanDerWaalsContact CD1-CH2 3.5Å; L133-W135 HydrophobicContact CD1-CZ2 3.86Å; L133-W135 HydrophobicContact CD1-CZ3 3.77Å; W135-G137 PolarHBondContact O-N 3.45Å; W135-F138 HydrophobicContact CB-CB 3.98Å; W135-F138 HydrophobicContact CB-CD2 3.71Å; W135-F138 HydrophobicContact CB-CG 4.13Å; W135-F138 PolarHBondContact O-N 2.9Å; W135-D142 PolarHBondContact NE1-O 3.24Å; W135-T144 WeakPolarHBondContact CZ2-OG1 3.43Å; W135-T144 PolarHBondContact NE1-OG1 2.9Å; W135-E146 HydrophobicContact CH2-CG 3.92Å; W135-E146 HydrophobicContact CZ2-CG 3.63Å |
| 136 | K | 79.9 | Confident | 84.5 | Confident | 139 Ų | 139 | 71.5 Ų | 71.5 | 60% | 0.604 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | 123.6 | -178.3 | -174.1 | -179.2 | -179.9 | -177.2 | 0 | 110 | V115 E117 F138 | V115-K136 HydrophobicContact CB-CB 4.16Å; V115-K136 HydrophobicContact CB-CD 4.42Å; V115-K136 HydrophobicContact CG1-CB 4.05Å; V115-K136 HydrophobicContact CG1-CD 3.78Å; V115-K136 VanDerWaalsContact O-CB 3.31Å; V115-K136 WeakPolarHBondContact O-CB 3.31Å; V115-K136 PolarHBondContact O-N 3.14Å; E117-K136 HydrophobicContact CB-CB 4.07Å; K136-F138 VanDerWaalsContact C-N 3.33Å |
| 137 | G | 79.2 | Confident | 84.5 | Confident | 78 Ų | 78 | 63.5 Ų | 63.5 | 80% | 0.804 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.7 | -4.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | W135 | W135-G137 PolarHBondContact O-N 3.45Š|
| 138 | F | 79.8 | Confident | 84.5 | Confident | 97 Ų | 97 | 64.6 Ų | 64.6 | 43% | 0.425 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -102.9 | 165.1 | 173.5 | -66.6 | -88 | 0 | 0 | 0 | 110.7 | Y114 K134 W135 K136 D142 | Y114-F138 HydrophobicContact CD1-CE2 4.04Å; Y114-F138 HydrophobicContact CD1-CZ 4.25Å; Y114-F138 HydrophobicContact CE1-CE2 4.31Å; Y114-F138 HydrophobicContact CE1-CZ 4.05Å; K134-F138 WeakPolarHBondContact CE-O 3.3Å; K134-F138 PolarHBondContact NZ-O 3.45Å; W135-F138 HydrophobicContact CB-CB 3.98Å; W135-F138 HydrophobicContact CB-CD2 3.71Å; W135-F138 HydrophobicContact CB-CG 4.13Å; W135-F138 PolarHBondContact O-N 2.9Å; K136-F138 VanDerWaalsContact C-N 3.33Å; F138-D142 HydrophobicContact CB-CB 3.94Å; F138-D142 WeakPolarHBondContact CB-OD2 3.44Å |
| 139 | S | 78.9 | Confident | 84.7 | Confident | 49 Ų | 49 | 63.7 Ų | 63.7 | 34% | 0.343 | 34% | 0.342 | S | S | . | . | trans | -77.6 | 175.4 | 174.4 | 63.9 | 0 | 0 | 0 | 0 | 110.3 | D141 D142 | S139-D141 PolarHBondContact OG-N 3.18Å; S139-D142 PolarHBondContact N-OD2 3.02Å; S139-D142 VanDerWaalsContact N-OD2 3.17Å; S139-D142 PolarHBondContact O-N 3.23Å; S139-D142 PolarHBondContact OG-OD2 2.87Å | ||
| 140 | D | 77.1 | Confident | 84.6 | Confident | 108 Ų | 108 | 66.4 Ų | 66.4 | 58% | 0.578 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -74.6 | -14 | 171.8 | 56.6 | -27 | 0 | 0 | 0 | 113.5 | K134 D142 N143 | K134-D140 HydrophobicContact CD-CB 4.48Å; D140-D142 VanDerWaalsContact C-N 3.25Å; D140-D142 PolarHBondContact O-N 3.14Å; D140-N143 WeakPolarHBondContact CA-ND2 3.36Å; D140-N143 WeakPolarHBondContact O-CB 3.37Å; D140-N143 PolarHBondContact O-N 3.41Å; D140-N143 PolarHBondContact O-ND2 3.06Å |
| 141 | D | 80.8 | Confident | 84.2 | Confident | 143 Ų | 143 | 65.5 Ų | 65.5 | 77% | 0.765 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -27.7 | 170.3 | -63 | -41.2 | 0 | 0 | 0 | 112 | S139 N143 | S139-D141 PolarHBondContact OG-N 3.18Å; D141-N143 PolarHBondContact O-N 3.19Å |
| 142 | D | 80.1 | Confident | 84 | Confident | 74 Ų | 74 | 73.1 Ų | 73.1 | 40% | 0.396 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 5.3 | 179.6 | -59.5 | -50.7 | 0 | 0 | 0 | 113 | W135 F138 S139 D140 T144 | W135-D142 PolarHBondContact NE1-O 3.24Å; F138-D142 HydrophobicContact CB-CB 3.94Å; F138-D142 WeakPolarHBondContact CB-OD2 3.44Å; S139-D142 PolarHBondContact N-OD2 3.02Å; S139-D142 VanDerWaalsContact N-OD2 3.17Å; S139-D142 PolarHBondContact O-N 3.23Å; S139-D142 PolarHBondContact OG-OD2 2.87Å; D140-D142 VanDerWaalsContact C-N 3.25Å; D140-D142 PolarHBondContact O-N 3.14Å; D142-T144 PolarHBondContact O-N 3.33Å |
| 143 | N | 87.1 | Confident | 83.5 | Confident | 34 Ų | 34 | 72.5 Ų | 72.5 | 18% | 0.182 | 39% | 0.391 | C | S | . | . | trans | -66.7 | 120.5 | -177.7 | -65.5 | -23.3 | 0 | 0 | 0 | 111.4 | L120 L132 L133 K134 D140 D141 | L120-N143 WeakPolarHBondContact CD1-ND2 3.28Å; L132-N143 HydrophobicContact CD1-CB 3.81Å; L132-N143 HydrophobicContact CG-CB 4.26Å; L133-N143 VanDerWaalsContact O-CA 3.26Å; L133-N143 WeakPolarHBondContact O-CA 3.27Å; L133-N143 VanDerWaalsContact O-CB 3.24Å; L133-N143 WeakPolarHBondContact O-CB 3.46Å; L133-N143 PolarHBondContact O-OD1 2.83Å; L133-N143 VanDerWaalsContact O-OD1 3.13Å; K134-N143 VanDerWaalsContact CA-OD1 3.3Å; K134-N143 WeakPolarHBondContact CA-OD1 3.22Å; K134-N143 WeakPolarHBondContact CD-OD1 3.38Å; D140-N143 WeakPolarHBondContact CA-ND2 3.36Å; D140-N143 WeakPolarHBondContact O-CB 3.37Å; D140-N143 PolarHBondContact O-N 3.41Å; D140-N143 PolarHBondContact O-ND2 3.06Å; D141-N143 PolarHBondContact O-N 3.19Å | ||
| 144 | T | 86.8 | Confident | 83.3 | Confident | 55 Ų | 55 | 77 Ų | 77 | 34% | 0.337 | 42% | 0.42 | S | S | . | . | trans | -111.9 | 156.7 | -179.9 | 60 | 0 | 0 | 0 | 0 | 112.5 | L132 L133 W135 D142 E146 | L132-T144 WeakPolarHBondContact CA-O 3.23Å; L132-T144 WeakPolarHBondContact CD1-O 3.49Å; L133-T144 PolarHBondContact N-O 2.88Å; W135-T144 WeakPolarHBondContact CZ2-OG1 3.43Å; W135-T144 PolarHBondContact NE1-OG1 2.9Å; D142-T144 PolarHBondContact O-N 3.33Å; T144-E146 WeakPolarHBondContact CB-OE1 3.4Å; T144-E146 PolarHBondContact OG1-OE1 3.26Å | ||
| 145 | W | 92.2 | Very high | 82.9 | Confident | 76 Ų | 76 | 82.1 Ų | 82.1 | 29% | 0.288 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 106.6 | 173.6 | -73.2 | 94 | 0 | 0 | 0 | 109.3 | N121 R123 E130 Y131 L132 | N121-W145 HydrophobicContact CB-CH2 3.8Å; N121-W145 HydrophobicContact CB-CZ3 4.32Å; R123-W145 HydrophobicContact CB-CE3 4.5Å; R123-W145 HydrophobicContact CB-CH2 3.95Å; R123-W145 HydrophobicContact CB-CZ3 3.77Å; R123-W145 HydrophobicContact CG-CD2 4.3Å; R123-W145 HydrophobicContact CG-CE3 3.59Å; R123-W145 HydrophobicContact CG-CH2 3.83Å; R123-W145 HydrophobicContact CG-CZ3 3.34Å; R123-W145 VanDerWaalsContact CZ-CD2 3.43Å; R123-W145 VanDerWaalsContact NH2-CG 3.33Å; E130-W145 HydrophobicContact CB-CE3 4.05Å; Y131-W145 WeakPolarHBondContact O-CA 3.49Å; L132-W145 HydrophobicContact CB-CD2 4.01Å; L132-W145 HydrophobicContact CB-CE3 3.94Å; L132-W145 HydrophobicContact CB-CH2 4Å; L132-W145 HydrophobicContact CB-CZ2 4.04Å; L132-W145 HydrophobicContact CB-CZ3 3.91Å; L132-W145 HydrophobicContact CD1-CD2 4.26Å; L132-W145 HydrophobicContact CD1-CG 4.27Å; L132-W145 HydrophobicContact CD2-CZ2 4.4Å |
| 146 | E | 88.9 | Confident | 82.6 | Confident | 39 Ų | 39 | 83.4 Ų | 83.4 | 18% | 0.182 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 136.6 | -179.8 | -63.4 | -52.3 | 137.4 | 0 | 0 | 110.6 | E130 Y131 L133 W135 T144 N150 L151 | E130-E146 CarbonylContact C-O 3.55Å; E130-E146 VanDerWaalsContact CA-O 3.3Å; E130-E146 WeakPolarHBondContact CA-O 3.2Å; Y131-E146 PolarHBondContact N-O 2.85Å; Y131-E146 PolarHBondContact O-N 3.06Å; L133-E146 HydrophobicContact CD1-CB 4.24Å; L133-E146 HydrophobicContact CD1-CG 3.98Å; L133-E146 HydrophobicContact CG-CG 4.41Å; W135-E146 HydrophobicContact CH2-CG 3.92Å; W135-E146 HydrophobicContact CZ2-CG 3.63Å; T144-E146 WeakPolarHBondContact CB-OE1 3.4Å; T144-E146 PolarHBondContact OG1-OE1 3.26Å; E146-N150 PolarHBondContact OE2-ND2 2.73Å; E146-L151 HydrophobicContact CB-CD1 4.39Å; E146-L151 HydrophobicContact CB-CD2 3.68Å; E146-L151 HydrophobicContact CB-CG 4.13Å; E146-L151 HydrophobicContact CG-CD2 4.34Å |
| 147 | P | 84.3 | Confident | 82.8 | Confident | 38 Ų | 38 | 77.4 Ų | 77.4 | 25% | 0.247 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 148.6 | 176.1 | 28.5 | -32.8 | 0 | 0 | 0 | 110.4 | V129 D149 N150 L151 | V129-P147 WeakPolarHBondContact O-CA 3.41Å; P147-D149 PolarHBondContact O-N 3.35Å; P147-D149 VanDerWaalsContact O-N 3.08Å; P147-N150 HydrophobicContact CG-CB 3.73Å; P147-N150 PolarHBondContact O-N 2.88Å; P147-L151 WeakPolarHBondContact O-CG 3.31Å |
| 148 | E | 85.9 | Confident | 83.1 | Confident | 92 Ų | 92 | 76.3 Ų | 76.3 | 43% | 0.43 | 42% | 0.415 | S | S | . | . | G | 310 helix | trans | -53.4 | -32.3 | 177.9 | -174.5 | 168.6 | -174.2 | 0 | 0 | 112.8 | V129 Y131 N150 L151 | V129-E148 HydrophobicContact CB-CB 4.21Å; V129-E148 WeakPolarHBondContact CB-OE2 3.34Å; V129-E148 PolarHBondContact O-N 2.93Å; Y131-E148 HydrophobicContact CD2-CB 4.37Å; Y131-E148 HydrophobicContact CE2-CB 3.93Å; Y131-E148 HydrophobicContact CE2-CG 3.99Å; E148-N150 PolarHBondContact O-N 3.08Å; E148-L151 PolarHBondContact O-N 2.83Å |
| 149 | D | 84.9 | Confident | 83.2 | Confident | 149 Ų | 149 | 78.5 Ų | 78.5 | 80% | 0.797 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -67.1 | -21.9 | 177.5 | -54.3 | -55.3 | 0 | 0 | 0 | 113.5 | P147 | P147-D149 PolarHBondContact O-N 3.35Å; P147-D149 VanDerWaalsContact O-N 3.08Å |
| 150 | N | 82.6 | Confident | 83.4 | Confident | 93 Ų | 93 | 77.4 Ų | 77.4 | 50% | 0.497 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -94.7 | 6.3 | 178.6 | -166.3 | 39.7 | 0 | 0 | 0 | 112.6 | E146 P147 E148 | E146-N150 PolarHBondContact OE2-ND2 2.73Å; P147-N150 HydrophobicContact CG-CB 3.73Å; P147-N150 PolarHBondContact O-N 2.88Å; E148-N150 PolarHBondContact O-N 3.08Å |
| 151 | L | 81.6 | Confident | 83.7 | Confident | 18 Ų | 18 | 75 Ų | 75 | 9% | 0.094 | 40% | 0.403 | C | S | . | . | trans | -116.6 | 104.2 | -169.8 | -64.9 | -179.1 | 0 | 0 | 0 | 113.7 | Y131 L133 E146 P147 E148 C153 I157 | Y131-L151 HydrophobicContact CD2-CD1 3.56Å; Y131-L151 HydrophobicContact CG-CD1 3.95Å; L133-L151 HydrophobicContact CD1-CD2 3.24Å; L133-L151 HydrophobicContact CD2-CD1 4.29Å; L133-L151 HydrophobicContact CD2-CD2 4.24Å; L133-L151 HydrophobicContact CG-CD2 4.08Å; E146-L151 HydrophobicContact CB-CD1 4.39Å; E146-L151 HydrophobicContact CB-CD2 3.68Å; E146-L151 HydrophobicContact CB-CG 4.13Å; E146-L151 HydrophobicContact CG-CD2 4.34Å; P147-L151 WeakPolarHBondContact O-CG 3.31Å; E148-L151 PolarHBondContact O-N 2.83Å; L151-C153 VanDerWaalsContact C-N 3.26Å; L151-C153 PolarHBondContact O-N 2.91Å; L151-C153 VanDerWaalsContact O-N 3.13Å; L151-I157 HydrophobicContact CB-CD1 4.17Å; L151-I157 HydrophobicContact CD1-CD1 4.21Å | ||
| 152 | D | 79.6 | Confident | 83.7 | Confident | 164 Ų | 164 | 74.5 Ų | 74.5 | 88% | 0.877 | 40% | 0.396 | S | S | * | . | trans | -87.7 | 43.9 | 173.6 | -69.3 | -54.7 | 0 | 0 | 0 | 113.6 | ||||
| 153 | C | 79.7 | Confident | 83.7 | Confident | 19 Ų | 19 | 78 Ų | 78 | 13% | 0.128 | 41% | 0.408 | C | S | . | . | trans | -134.8 | 63.9 | 179.9 | 66.6 | 0 | 0 | 0 | 0 | 114.5 | L151 D155 L156 I157 | L151-C153 VanDerWaalsContact C-N 3.26Å; L151-C153 PolarHBondContact O-N 2.91Å; L151-C153 VanDerWaalsContact O-N 3.13Å; C153-D155 VanDerWaalsContact C-N 3.3Å; C153-D155 PolarHBondContact O-N 2.87Å; C153-L156 HydrophobicContact CB-CB 4.48Å; C153-L156 HydrophobicContact CB-CD1 4.22Å; C153-L156 PolarHBondContact O-N 2.85Å; C153-I157 WeakPolarHBondContact O-CG1 3.33Å; C153-I157 PolarHBondContact O-N 2.87Å | ||
| 154 | P | 82.2 | Confident | 83.2 | Confident | 93 Ų | 93 | 81.3 Ų | 81.3 | 60% | 0.604 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -62.2 | -31.2 | -175.7 | 24.6 | -34.6 | 0 | 0 | 0 | 113.9 | I157 A158 | P154-I157 PolarHBondContact O-N 2.81Å; P154-A158 VanDerWaalsContact O-CB 3.24Å; P154-A158 WeakPolarHBondContact O-CB 3.34Å; P154-A158 PolarHBondContact O-N 3.26Å |
| 155 | D | 79.8 | Confident | 82.6 | Confident | 140 Ų | 140 | 85.2 Ų | 85.2 | 75% | 0.749 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -67.7 | -41.2 | -179.3 | -70.4 | -36.4 | 0 | 0 | 0 | 112.7 | C153 Q159 | C153-D155 VanDerWaalsContact C-N 3.3Å; C153-D155 PolarHBondContact O-N 2.87Å; D155-Q159 WeakPolarHBondContact O-CB 3.46Å; D155-Q159 PolarHBondContact O-N 3.35Å |
| 156 | L | 82.8 | Confident | 81.3 | Confident | 53 Ų | 53 | 85 Ų | 85 | 28% | 0.277 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -68.8 | -40.5 | 177.8 | -66.5 | -179.9 | 0 | 0 | 0 | 110.9 | V116 V119 C153 Q159 F160 | V116-L156 HydrophobicContact CB-CD1 4.21Å; V116-L156 HydrophobicContact CG1-CD1 3.87Å; V119-L156 HydrophobicContact CG2-CB 3.93Å; C153-L156 HydrophobicContact CB-CB 4.48Å; C153-L156 HydrophobicContact CB-CD1 4.22Å; C153-L156 PolarHBondContact O-N 2.85Å; L156-Q159 PolarHBondContact O-N 2.78Å; L156-F160 PolarHBondContact O-N 3.38Å |
| 157 | I | 83.8 | Confident | 80 | Confident | 14 Ų | 14 | 85.8 Ų | 85.8 | 7% | 0.072 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -63.4 | -48.7 | 175.2 | -65.7 | 169.2 | 0 | 0 | 0 | 110 | V119 Y131 L151 C153 P154 Q159 F160 L161 | V119-I157 HydrophobicContact CG2-CG1 3.93Å; Y131-I157 HydrophobicContact CD2-CD1 4.44Å; Y131-I157 HydrophobicContact CE1-CG1 4.44Å; Y131-I157 HydrophobicContact CE1-CG2 3.83Å; Y131-I157 HydrophobicContact CE2-CD1 4.25Å; Y131-I157 HydrophobicContact CE2-CG2 4.33Å; Y131-I157 WeakPolarHBondContact OH-CG2 3.01Å; L151-I157 HydrophobicContact CB-CD1 4.17Å; L151-I157 HydrophobicContact CD1-CD1 4.21Å; C153-I157 WeakPolarHBondContact O-CG1 3.33Å; C153-I157 PolarHBondContact O-N 2.87Å; P154-I157 PolarHBondContact O-N 2.81Å; I157-Q159 VanDerWaalsContact C-N 3.33Å; I157-Q159 PolarHBondContact O-N 3.26Å; I157-F160 WeakPolarHBondContact O-CB 3.46Å; I157-F160 PolarHBondContact O-N 3.11Å; I157-F160 VanDerWaalsContact O-N 3.12Å; I157-L161 HydrophobicContact CG2-CD1 3.88Å; I157-L161 HydrophobicContact CG2-CG 4.19Å; I157-L161 VanDerWaalsContact O-CG 3.3Å; I157-L161 WeakPolarHBondContact O-CG 3.5Å; I157-L161 PolarHBondContact O-N 2.87Å |
| 158 | A | 85.3 | Confident | 78.5 | Confident | 55 Ų | 55 | 91.2 Ų | 91.2 | 46% | 0.455 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.1 | -42.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | P154 F160 L161 Q162 | P154-A158 VanDerWaalsContact O-CB 3.24Å; P154-A158 WeakPolarHBondContact O-CB 3.34Å; P154-A158 PolarHBondContact O-N 3.26Å; A158-F160 VanDerWaalsContact C-N 3.34Å; A158-F160 PolarHBondContact O-N 3.19Å; A158-L161 PolarHBondContact O-N 3.08Å; A158-Q162 VanDerWaalsContact O-CB 3.32Å; A158-Q162 WeakPolarHBondContact O-CB 3.43Å; A158-Q162 PolarHBondContact O-N 2.75Å |
| 159 | Q | 81.8 | Confident | 76.9 | Confident | 143 Ų | 143 | 93.2 Ų | 93.2 | 67% | 0.668 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.9 | -42.7 | 176 | -174.7 | -179.5 | 88.2 | 0 | 0 | 111.8 | D155 L156 I157 K163 | D155-Q159 WeakPolarHBondContact O-CB 3.46Å; D155-Q159 PolarHBondContact O-N 3.35Å; L156-Q159 PolarHBondContact O-N 2.78Å; I157-Q159 VanDerWaalsContact C-N 3.33Å; I157-Q159 PolarHBondContact O-N 3.26Å; Q159-K163 WeakPolarHBondContact O-CB 3.44Å; Q159-K163 PolarHBondContact O-N 2.95Å; Q159-K163 VanDerWaalsContact O-N 3.14Å |
| 160 | F | 84.2 | Confident | 75.2 | Confident | 26 Ų | 26 | 89.2 Ų | 89.2 | 11% | 0.114 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -62 | -48 | 175.8 | 174.7 | -93.4 | 0 | 0 | 0 | 111.6 | V119 L120 R122 Y131 L156 I157 A158 Q162 K163 Q164 | V119-F160 HydrophobicContact CB-CB 4.19Å; V119-F160 HydrophobicContact CB-CG 4.44Å; V119-F160 HydrophobicContact CG1-CB 3.96Å; V119-F160 HydrophobicContact CG1-CD1 4.12Å; V119-F160 HydrophobicContact CG1-CD2 4.07Å; V119-F160 HydrophobicContact CG1-CG 3.77Å; L120-F160 WeakPolarHBondContact O-CE2 3.31Å; R122-F160 HydrophobicContact CB-CD1 4.44Å; R122-F160 HydrophobicContact CB-CE1 3.57Å; R122-F160 HydrophobicContact CB-CZ 4.18Å; Y131-F160 HydrophobicContact CE1-CD1 4.47Å; L156-F160 PolarHBondContact O-N 3.38Å; I157-F160 WeakPolarHBondContact O-CB 3.46Å; I157-F160 PolarHBondContact O-N 3.11Å; I157-F160 VanDerWaalsContact O-N 3.12Å; A158-F160 VanDerWaalsContact C-N 3.34Å; A158-F160 PolarHBondContact O-N 3.19Å; F160-Q162 PolarHBondContact O-N 3.21Å; F160-K163 WeakPolarHBondContact O-CB 3.44Å; F160-K163 PolarHBondContact O-N 3.29Å; F160-Q164 HydrophobicContact CD1-CG 4.32Å; F160-Q164 HydrophobicContact CE1-CG 3.82Å; F160-Q164 HydrophobicContact CE2-CG 4.29Å; F160-Q164 HydrophobicContact CZ-CG 3.8Å; F160-Q164 WeakPolarHBondContact O-CG 3.24Å; F160-Q164 PolarHBondContact O-N 3.17Å |
| 161 | L | 83.2 | Confident | 73.7 | Confident | 57 Ų | 57 | 90.1 Ų | 90.1 | 30% | 0.298 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 179.6 | -67 | 179.7 | 0 | 0 | 0 | 112.5 | I157 A158 K163 Q164 K165 | I157-L161 HydrophobicContact CG2-CD1 3.88Å; I157-L161 HydrophobicContact CG2-CG 4.19Å; I157-L161 VanDerWaalsContact O-CG 3.3Å; I157-L161 WeakPolarHBondContact O-CG 3.5Å; I157-L161 PolarHBondContact O-N 2.87Å; A158-L161 PolarHBondContact O-N 3.08Å; L161-K163 VanDerWaalsContact C-N 3.31Å; L161-K163 PolarHBondContact O-N 3.3Å; L161-Q164 PolarHBondContact O-N 3.41Å; L161-K165 WeakPolarHBondContact O-CB 3.26Å; L161-K165 PolarHBondContact O-N 2.97Å |
| 162 | Q | 81.1 | Confident | 71.9 | Confident | 132 Ų | 132 | 92.6 Ų | 92.6 | 62% | 0.617 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.3 | -41.8 | 177 | -175.4 | 64.5 | 12.4 | 0 | 0 | 111.3 | A158 F160 K165 S166 | A158-Q162 VanDerWaalsContact O-CB 3.32Å; A158-Q162 WeakPolarHBondContact O-CB 3.43Å; A158-Q162 PolarHBondContact O-N 2.75Å; F160-Q162 PolarHBondContact O-N 3.21Å; Q162-K165 PolarHBondContact O-N 3.49Å; Q162-S166 PolarHBondContact O-N 3.18Å; Q162-S166 PolarHBondContact O-OG 3.33Å |
| 163 | K | 79.3 | Confident | 70.1 | Confident | 149 Ų | 149 | 93.5 Ų | 93.5 | 65% | 0.648 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.2 | -44.7 | 175.9 | -170.7 | 177.8 | 178.6 | -174.2 | 0 | 111.5 | Q159 F160 L161 S166 A167 | Q159-K163 WeakPolarHBondContact O-CB 3.44Å; Q159-K163 PolarHBondContact O-N 2.95Å; Q159-K163 VanDerWaalsContact O-N 3.14Å; F160-K163 WeakPolarHBondContact O-CB 3.44Å; F160-K163 PolarHBondContact O-N 3.29Å; L161-K163 VanDerWaalsContact C-N 3.31Å; L161-K163 PolarHBondContact O-N 3.3Å; K163-S166 PolarHBondContact O-OG 3.48Å; K163-A167 PolarHBondContact O-N 3.23Å |
| 164 | Q | 76.8 | Confident | 68.5 | Low | 102 Ų | 102 | 103 Ų | 103 | 48% | 0.477 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.1 | -42.9 | 176.8 | -72.3 | -65.2 | -39.3 | 0 | 0 | 112.6 | F160 L161 A167 H168 | F160-Q164 HydrophobicContact CD1-CG 4.32Å; F160-Q164 HydrophobicContact CE1-CG 3.82Å; F160-Q164 HydrophobicContact CE2-CG 4.29Å; F160-Q164 HydrophobicContact CZ-CG 3.8Å; F160-Q164 WeakPolarHBondContact O-CG 3.24Å; F160-Q164 PolarHBondContact O-N 3.17Å; L161-Q164 PolarHBondContact O-N 3.41Å; Q164-A167 PolarHBondContact O-N 2.87Å; Q164-H168 PolarHBondContact O-N 3.4Å; Q164-H168 VanDerWaalsContact O-N 3.09Å |
| 165 | K | 74.7 | Confident | 66.8 | Low | 137 Ų | 137 | 108.3 Ų | 108.3 | 60% | 0.596 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64.6 | -42.2 | -180 | -167.5 | 173 | -179.1 | 176.1 | 0 | 112.2 | L161 Q162 A167 H168 E169 | L161-K165 WeakPolarHBondContact O-CB 3.26Å; L161-K165 PolarHBondContact O-N 2.97Å; Q162-K165 PolarHBondContact O-N 3.49Å; K165-A167 VanDerWaalsContact C-N 3.31Å; K165-A167 PolarHBondContact O-N 3.06Å; K165-H168 PolarHBondContact O-N 3.42Å; K165-E169 WeakPolarHBondContact O-CB 3.5Å; K165-E169 PolarHBondContact O-N 3.11Å |
| 166 | S | 65.7 | Low | 65 | Low | 73 Ų | 73 | 107 Ų | 107 | 51% | 0.51 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.6 | -30.6 | 176.7 | 68.5 | 0 | 0 | 0 | 0 | 113.6 | Q162 K163 | Q162-S166 PolarHBondContact O-N 3.18Å; Q162-S166 PolarHBondContact O-OG 3.33Å; K163-S166 PolarHBondContact O-OG 3.48Å |
| 167 | A | 59.9 | Low | 62.7 | Low | 55 Ų | 55 | 109.3 Ų | 109.3 | 46% | 0.455 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -71.2 | -42.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | K163 Q164 K165 S170 | K163-A167 PolarHBondContact O-N 3.23Å; Q164-A167 PolarHBondContact O-N 2.87Å; K165-A167 VanDerWaalsContact C-N 3.31Å; K165-A167 PolarHBondContact O-N 3.06Å; A167-S170 PolarHBondContact O-OG 3.19Å |
| 168 | H | 53.8 | Low | 60.5 | Low | 151 Ų | 151 | 117.8 Ų | 117.8 | 70% | 0.699 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -77.5 | -32.1 | -177.7 | -163.5 | -85.4 | 0 | 0 | 0 | 113.5 | Q164 K165 S170 V171 | Q164-H168 PolarHBondContact O-N 3.4Å; Q164-H168 VanDerWaalsContact O-N 3.09Å; K165-H168 PolarHBondContact O-N 3.42Å; H168-S170 PolarHBondContact O-N 2.52Å; H168-V171 PolarHBondContact O-N 3.3Å |
| 169 | E | 51.6 | Low | 58 | Low | 135 Ų | 135 | 120.9 Ų | 120.9 | 63% | 0.631 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -66 | -26.7 | 176.6 | -164.3 | 173.8 | 125.9 | 0 | 0 | 112.3 | K165 V171 | K165-E169 WeakPolarHBondContact O-CB 3.5Å; K165-E169 PolarHBondContact O-N 3.11Å; E169-V171 VanDerWaalsContact C-N 3.28Å; E169-V171 PolarHBondContact O-N 3.13Å |
| 170 | S | 49.4 | Very low | 55.9 | Low | 64 Ų | 64 | 118.9 Ų | 118.9 | 45% | 0.448 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.9 | -11.5 | 178 | 76.6 | 0 | 0 | 0 | 0 | 115 | A167 H168 | A167-S170 PolarHBondContact O-OG 3.19Å; H168-S170 PolarHBondContact O-N 2.52Å |
| 171 | V | 51.6 | Low | 53.6 | Low | 113 Ų | 113 | 124.1 Ų | 124.1 | 69% | 0.685 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | -27.2 | -179.1 | -179 | 0 | 0 | 0 | 0 | 112 | H168 E169 | H168-V171 PolarHBondContact O-N 3.3Å; E169-V171 VanDerWaalsContact C-N 3.28Å; E169-V171 PolarHBondContact O-N 3.13Å |
| 172 | G | 43.2 | Very low | 51.4 | Low | 70 Ų | 70 | 130.4 Ų | 130.4 | 72% | 0.722 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -5.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 173 | K | 42.5 | Very low | 49.1 | Very low | 183 Ų | 183 | 127.8 Ų | 127.8 | 80% | 0.796 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.9 | 18.7 | -172 | -149.1 | 96.5 | 167.6 | -168.6 | 0 | 114.8 | ||
| 174 | R | 45.1 | Very low | 47 | Very low | 219 Ų | 219 | 129.6 Ų | 129.6 | 83% | 0.826 | 72% | 0.718 | S | S | * | * | trans | -119.5 | 62.8 | -179.7 | -58.2 | -171.2 | -153.9 | 157.6 | 7.5 | 112.4 | ||||
| 175 | K | 46.4 | Very low | 45.3 | Very low | 203 Ų | 203 | 131.9 Ų | 131.9 | 88% | 0.883 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -147.9 | 65.6 | 155.4 | -161 | 160.6 | -175.3 | 172.8 | 0 | 111.3 | ||
| 176 | S | 42.1 | Very low | 43.5 | Very low | 113 Ų | 113 | 131.2 Ų | 131.2 | 79% | 0.79 | 74% | 0.741 | S | S | * | * | S | Bend | trans | 178.4 | 134.7 | 147.7 | 54 | 0 | 0 | 0 | 0 | 110.7 | ||
| 177 | A | 35.9 | Very low | 42.6 | Very low | 101 Ų | 101 | 137.3 Ų | 137.3 | 84% | 0.835 | 75% | 0.752 | S | S | * | * | trans | 83.7 | 82.1 | 163.1 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 178 | E | 37.9 | Very low | 42 | Very low | 193 Ų | 193 | 140.6 Ų | 140.6 | 90% | 0.902 | 77% | 0.769 | S | S | * | * | trans | -22.2 | 126.6 | 140 | -158.3 | -179.5 | 125.2 | 0 | 0 | 116.1 | ||||
| 179 | T | 31.4 | Very low | 41.5 | Very low | 120 Ų | 120 | 143.1 Ų | 143.1 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | -172.7 | 117.4 | 127.8 | -165.3 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 180 | S | 38.7 | Very low | 41.6 | Very low | 101 Ų | 101 | 146.1 Ų | 146.1 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | trans | 53.8 | 133 | 133.7 | -41.7 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 181 | V | 35.8 | Very low | 41.7 | Very low | 135 Ų | 135 | 154.5 Ų | 154.5 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | 94 | 125.5 | 145.8 | -139.3 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 182 | E | 36.9 | Very low | 41.3 | Very low | 190 Ų | 190 | 158.3 Ų | 158.3 | 89% | 0.888 | 82% | 0.819 | S | S | * | * | trans | -56.4 | 155.1 | -178.7 | -60 | 166.7 | 118.1 | 0 | 0 | 114.7 | ||||
| 183 | G | 32.4 | Very low | 41.2 | Very low | 77 Ų | 77 | 162.2 Ų | 162.2 | 79% | 0.794 | 82% | 0.823 | S | S | * | * | trans | -179.7 | 87.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 184 | E | 34.9 | Very low | 41.5 | Very low | 187 Ų | 187 | 158.6 Ų | 158.6 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | trans | -16.6 | 147.5 | 170 | -53.8 | -162.6 | 116.8 | 0 | 0 | 121.6 | ||||
| 185 | E | 42.3 | Very low | 41.8 | Very low | 150 Ų | 150 | 153.6 Ų | 153.6 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | trans | 17 | 112.5 | 146.9 | -160 | 178.3 | 156.5 | 0 | 0 | 118.3 | R187 | E185-R187 IonicContact OE1-NE 3.24Å; E185-R187 PolarHBondContact OE1-NE 3.03Å; E185-R187 IonicContact OE1-NH2 3.96Å | ||
| 186 | S | 36.3 | Very low | 42.2 | Very low | 123 Ų | 123 | 150.2 Ų | 150.2 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | trans | -141.2 | 111.1 | 143.7 | 50.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 187 | R | 46.4 | Very low | 42.8 | Very low | 200 Ų | 200 | 153.7 Ų | 153.7 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | trans | -43.9 | 156.8 | -178.4 | -79.6 | 173.3 | -177.4 | -163.2 | -5.9 | 116.9 | E185 K189 | E185-R187 IonicContact OE1-NE 3.24Å; E185-R187 PolarHBondContact OE1-NE 3.03Å; E185-R187 IonicContact OE1-NH2 3.96Å; R187-K189 PolarHBondContact O-N 3.25Å | ||
| 188 | P | 46.8 | Very low | 44.1 | Very low | 125 Ų | 125 | 153.7 Ų | 153.7 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | trans | -72.1 | 126.5 | -172.7 | 30.8 | -34.5 | 0 | 0 | 0 | 111.4 | K190 | P188-K190 PolarHBondContact O-N 3.47Å; P188-K190 VanDerWaalsContact O-N 3.09Å | ||
| 189 | K | 44.2 | Very low | 45.9 | Very low | 203 Ų | 203 | 149.9 Ų | 149.9 | 88% | 0.883 | 76% | 0.759 | S | S | * | * | trans | -82 | 88.5 | 170.1 | -79.1 | -178.4 | 179.5 | 165.7 | 0 | 110.5 | R187 R191 | R187-K189 PolarHBondContact O-N 3.25Å; K189-R191 PolarHBondContact O-N 3.03Å | ||
| 190 | K | 53.8 | Low | 48.5 | Very low | 198 Ų | 198 | 144.3 Ų | 144.3 | 86% | 0.861 | 73% | 0.726 | S | S | * | * | trans | 16.4 | 96 | 142.8 | -162.3 | 159.2 | -174.8 | 163.6 | 0 | 115 | P188 | P188-K190 PolarHBondContact O-N 3.47Å; P188-K190 VanDerWaalsContact O-N 3.09Å | ||
| 191 | R | 51.1 | Low | 50.7 | Low | 241 Ų | 241 | 140.9 Ų | 140.9 | 91% | 0.909 | 70% | 0.698 | S | S | * | * | trans | -116.2 | 98.8 | 151.3 | -67.3 | -150.7 | 168.6 | -146.7 | -2.6 | 107.1 | K189 D193 | K189-R191 PolarHBondContact O-N 3.03Å; R191-D193 PolarHBondContact O-N 3.13Å | ||
| 192 | K | 42.8 | Very low | 53 | Low | 193 Ų | 193 | 137.5 Ų | 137.5 | 84% | 0.839 | 68% | 0.684 | S | S | * | * | trans | 17 | 100.8 | 161.8 | -146.2 | 158.3 | 178.9 | 177.5 | 0 | 113.5 | D194 | K192-D194 PolarHBondContact O-N 2.81Š| ||
| 193 | D | 42.2 | Very low | 55.2 | Low | 151 Ų | 151 | 131.4 Ų | 131.4 | 81% | 0.807 | 65% | 0.653 | S | S | * | * | trans | -43.5 | 103.8 | 163.7 | -84.2 | -74.3 | 0 | 0 | 0 | 109.3 | R191 | R191-D193 PolarHBondContact O-N 3.13Š| ||
| 194 | D | 48 | Very low | 57.7 | Low | 107 Ų | 107 | 131 Ų | 131 | 57% | 0.572 | 65% | 0.649 | S | S | * | * | trans | -81.1 | 119.7 | 146.4 | -122.7 | -47.4 | 0 | 0 | 0 | 104.9 | K192 E196 K197 | K192-D194 PolarHBondContact O-N 2.81Å; D194-E196 HydrophobicContact CB-CB 4.29Å; D194-E196 PolarHBondContact O-N 3.49Å; D194-K197 PolarHBondContact O-N 2.91Å; D194-K197 VanDerWaalsContact O-N 3.16Å | ||
| 195 | P | 51.9 | Low | 60.3 | Low | 114 Ų | 114 | 124.4 Ų | 124.4 | 74% | 0.74 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -56.6 | -14.9 | 175.1 | 23.8 | -32.1 | 0 | 0 | 0 | 112.4 | K197 | P195-K197 VanDerWaalsContact C-N 3.31Å; P195-K197 PolarHBondContact O-N 2.87Å |
| 196 | E | 55.1 | Low | 62.6 | Low | 133 Ų | 133 | 122 Ų | 122 | 62% | 0.621 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -73.7 | -8.5 | 179.4 | -155.4 | 134.8 | -149.6 | 0 | 0 | 115.2 | D194 R199 | D194-E196 HydrophobicContact CB-CB 4.29Å; D194-E196 PolarHBondContact O-N 3.49Å; E196-R199 WeakPolarHBondContact O-CG 3.3Å |
| 197 | K | 54.2 | Low | 65.4 | Low | 186 Ų | 186 | 117.4 Ų | 117.4 | 81% | 0.809 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -93.9 | -16.5 | -178.1 | -159.6 | 120.9 | -170.4 | 168.3 | 0 | 114.7 | D194 P195 R199 | D194-K197 PolarHBondContact O-N 2.91Å; D194-K197 VanDerWaalsContact O-N 3.16Å; P195-K197 VanDerWaalsContact C-N 3.31Å; P195-K197 PolarHBondContact O-N 2.87Å; K197-R199 PolarHBondContact O-N 3.35Å; K197-R199 VanDerWaalsContact O-N 3.07Å |
| 198 | L | 63.3 | Low | 67.7 | Low | 100 Ų | 100 | 112.1 Ų | 112.1 | 52% | 0.524 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -82.3 | 78.8 | 166.1 | -61.4 | 175.9 | 0 | 0 | 0 | 106.2 | A202 R203 | L198-A202 HydrophobicContact CD2-CB 4.27Å; L198-R203 HydrophobicContact CB-CG 4.22Å; L198-R203 VanDerWaalsContact O-CD 3.25Å; L198-R203 WeakPolarHBondContact O-CD 3.4Å; L198-R203 WeakPolarHBondContact O-CG 3.43Å |
| 199 | R | 75.2 | Confident | 70 | Confident | 113 Ų | 113 | 112.2 Ų | 112.2 | 43% | 0.426 | 55% | 0.547 | S | S | . | . | trans | -105.3 | 153.8 | 172.4 | -82.3 | -173 | 73.4 | -148.8 | 11.3 | 110.9 | E196 K197 A202 D233 L234 | E196-R199 WeakPolarHBondContact O-CG 3.3Å; K197-R199 PolarHBondContact O-N 3.35Å; K197-R199 VanDerWaalsContact O-N 3.07Å; R199-A202 WeakPolarHBondContact O-CB 3.4Å; R199-A202 PolarHBondContact O-N 3.12Å; R199-D233 WeakPolarHBondContact CG-OD1 3.3Å; R199-D233 IonicContact CZ-OD1 2.73Å; R199-D233 IonicContact NE-OD1 3.63Å; R199-D233 PolarHBondContact NE-OD1 3.36Å; R199-D233 IonicContact NH2-OD1 2.97Å; R199-L234 VanDerWaalsContact NH2-N 3.17Å | ||
| 200 | G | 85.4 | Confident | 72.4 | Confident | 4 Ų | 4 | 102.6 Ų | 102.6 | 4% | 0.041 | 51% | 0.505 | C | S | . | . | G | 310 helix | trans | 67.5 | -138.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A202 R203 W226 D233 | G200-A202 PolarHBondContact O-N 3.37Å; G200-A202 VanDerWaalsContact O-N 3.15Å; G200-R203 WeakPolarHBondContact O-CB 3.45Å; G200-R203 WeakPolarHBondContact O-CG 3.37Å; G200-R203 PolarHBondContact O-N 3.42Å; G200-W226 VanDerWaalsContact C-CH2 3.5Å; G200-D233 VanDerWaalsContact N-CG 3.31Å; G200-D233 PolarHBondContact N-OD2 3.03Å |
| 201 | F | 86.6 | Confident | 74.3 | Confident | 28 Ų | 28 | 97.1 Ų | 97.1 | 12% | 0.123 | 48% | 0.484 | C | S | . | . | G | 310 helix | trans | -67.3 | -14.2 | -179.5 | -66.6 | -75 | 0 | 0 | 0 | 114.7 | R203 G204 P207 M224 W226 V235 E239 A240 K243 | F201-R203 PolarHBondContact O-N 3.43Å; F201-G204 PolarHBondContact O-N 3.26Å; F201-P207 HydrophobicContact CE1-CG 4.24Å; F201-M224 HydrophobicContact CZ-CE 4.33Å; F201-W226 HydrophobicContact CB-CH2 4.42Å; F201-W226 AromaticContact CD1-CH2 3.51Å; F201-W226 HydrophobicContact CD1-CH2 3.51Å; F201-W226 AromaticContact CD1-CZ3 3.6Å; F201-W226 HydrophobicContact CD1-CZ3 3.6Å; F201-W226 HydrophobicContact CD2-CH2 4.16Å; F201-W226 AromaticContact CE1-CH2 3.71Å; F201-W226 HydrophobicContact CE1-CH2 3.71Å; F201-W226 AromaticContact CE1-CZ3 3.78Å; F201-W226 HydrophobicContact CE1-CZ3 3.78Å; F201-W226 HydrophobicContact CE2-CH2 4.4Å; F201-W226 AromaticContact CG-CH2 3.75Å; F201-W226 HydrophobicContact CG-CH2 3.75Å; F201-W226 HydrophobicContact CG-CZ3 4.27Å; F201-W226 HydrophobicContact CZ-CH2 4.16Å; F201-V235 HydrophobicContact CD2-CG1 3.73Å; F201-V235 HydrophobicContact CE2-CG1 3.27Å; F201-V235 HydrophobicContact CZ-CG1 4.23Å; F201-E239 VanDerWaalsContact CD2-CD 3.48Å; F201-E239 HydrophobicContact CD2-CG 3.76Å; F201-E239 VanDerWaalsContact CD2-OE1 3.24Å; F201-E239 WeakPolarHBondContact CD2-OE1 3.35Å; F201-E239 HydrophobicContact CE2-CB 4.46Å; F201-E239 HydrophobicContact CE2-CG 3.9Å; F201-A240 HydrophobicContact CE2-CB 4.39Å; F201-A240 HydrophobicContact CZ-CB 4.42Å; F201-K243 HydrophobicContact CB-CD 3.82Å; F201-K243 HydrophobicContact CD1-CB 4.2Å; F201-K243 HydrophobicContact CD1-CD 3.61Å; F201-K243 HydrophobicContact CD2-CD 3.56Å; F201-K243 HydrophobicContact CE1-CB 3.71Å; F201-K243 HydrophobicContact CE1-CD 3.97Å; F201-K243 HydrophobicContact CE2-CB 4.11Å; F201-K243 HydrophobicContact CE2-CD 3.84Å; F201-K243 HydrophobicContact CE2-CG 4.48Å; F201-K243 HydrophobicContact CG-CD 3.39Å; F201-K243 HydrophobicContact CZ-CB 3.66Å; F201-K243 HydrophobicContact CZ-CD 4.07Å; F201-K243 HydrophobicContact CZ-CG 4.46Å |
| 202 | A | 82.8 | Confident | 76.3 | Confident | 64 Ų | 64 | 86.7 Ų | 86.7 | 53% | 0.529 | 45% | 0.452 | S | S | . | . | G | 310 helix | trans | -66.6 | -17 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L198 R199 G200 G204 | L198-A202 HydrophobicContact CD2-CB 4.27Å; R199-A202 WeakPolarHBondContact O-CB 3.4Å; R199-A202 PolarHBondContact O-N 3.12Å; G200-A202 PolarHBondContact O-N 3.37Å; G200-A202 VanDerWaalsContact O-N 3.15Å; A202-G204 PolarHBondContact O-N 3.02Å |
| 203 | R | 82.8 | Confident | 78.7 | Confident | 63 Ų | 63 | 80 Ų | 80 | 24% | 0.238 | 43% | 0.432 | C | S | . | . | G | 310 helix | trans | -72.3 | -15.7 | 175 | -62.7 | 174.6 | 72.3 | 178.5 | 9.1 | 113.5 | L198 G200 F201 L205 S229 E231 D233 | L198-R203 HydrophobicContact CB-CG 4.22Å; L198-R203 VanDerWaalsContact O-CD 3.25Å; L198-R203 WeakPolarHBondContact O-CD 3.4Å; L198-R203 WeakPolarHBondContact O-CG 3.43Å; G200-R203 WeakPolarHBondContact O-CB 3.45Å; G200-R203 WeakPolarHBondContact O-CG 3.37Å; G200-R203 PolarHBondContact O-N 3.42Å; F201-R203 PolarHBondContact O-N 3.43Å; R203-L205 HydrophobicContact CB-CB 4.45Å; R203-L205 HydrophobicContact CB-CD1 4.11Å; R203-L205 HydrophobicContact CB-CG 3.87Å; R203-L205 PolarHBondContact O-N 2.85Å; R203-S229 PolarHBondContact NH2-OG 2.87Å; R203-S229 VanDerWaalsContact NH2-OG 3.13Å; R203-E231 IonicContact CZ-OE2 3.21Å; R203-E231 IonicContact NH1-OE2 3.29Å; R203-E231 PolarHBondContact NH1-OE2 3.29Å; R203-E231 IonicContact NH2-OE2 2.7Å; R203-E231 PolarHBondContact NH2-OE2 3.47Å; R203-D233 VanDerWaalsContact CD-OD2 3.24Å; R203-D233 WeakPolarHBondContact CD-OD2 3.48Å; R203-D233 IonicContact CZ-OD2 2.7Å; R203-D233 IonicContact NH1-OD2 3.99Å; R203-D233 PolarHBondContact NH1-OD2 3.28Å |
| 204 | G | 85.6 | Confident | 81.1 | Confident | 69 Ų | 69 | 75 Ų | 75 | 71% | 0.711 | 41% | 0.407 | S | S | * | . | trans | 65.1 | 19.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | F201 A202 | F201-G204 PolarHBondContact O-N 3.26Å; A202-G204 PolarHBondContact O-N 3.02Å | ||
| 205 | L | 89 | Confident | 83.1 | Confident | 48 Ų | 48 | 75.7 Ų | 75.7 | 25% | 0.251 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -84.3 | 146.7 | 173.9 | -60.8 | 176.8 | 0 | 0 | 0 | 110.2 | R203 W226 | R203-L205 HydrophobicContact CB-CB 4.45Å; R203-L205 HydrophobicContact CB-CD1 4.11Å; R203-L205 HydrophobicContact CB-CG 3.87Å; R203-L205 PolarHBondContact O-N 2.85Å; L205-W226 HydrophobicContact CB-CB 3.83Å; L205-W226 HydrophobicContact CB-CD2 4.09Å; L205-W226 HydrophobicContact CB-CE3 3.82Å; L205-W226 HydrophobicContact CB-CG 4.09Å; L205-W226 HydrophobicContact CD1-CB 3.68Å; L205-W226 HydrophobicContact CD1-CG 3.98Å; L205-W226 HydrophobicContact CG-CB 4.41Å; L205-W226 VanDerWaalsContact O-CE3 3.26Å; L205-W226 WeakPolarHBondContact O-CZ3 3.14Å |
| 206 | D | 91.3 | Very high | 83.7 | Confident | 100 Ų | 100 | 74.7 Ų | 74.7 | 54% | 0.535 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -74.9 | 135.2 | 172.6 | -79.1 | -17.7 | 0 | 0 | 0 | 110.1 | K227 | D206-K227 HydrophobicContact CB-CB 4.28Å; D206-K227 HydrophobicContact CB-CD 3.77Å; D206-K227 HydrophobicContact CB-CG 4.12Å; D206-K227 PolarHBondContact O-N 3.35Å; D206-K227 IonicContact OD2-NZ 3.57Å |
| 207 | P | 94.7 | Very high | 84.5 | Confident | 25 Ų | 25 | 73.1 Ų | 73.1 | 16% | 0.162 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 135.9 | 174.3 | 26.9 | -30.5 | 0 | 0 | 0 | 110.4 | F201 M224 W226 C244 V247 | F201-P207 HydrophobicContact CE1-CG 4.24Å; P207-M224 HydrophobicContact CB-CE 4.19Å; P207-M224 HydrophobicContact CB-CG 4.22Å; P207-M224 HydrophobicContact CB-SD 3.63Å; P207-W226 HydrophobicContact CB-CE3 4.37Å; P207-W226 HydrophobicContact CB-CZ3 4.12Å; P207-C244 HydrophobicContact CB-CB 4.26Å; P207-C244 HydrophobicContact CG-CB 3.43Å; P207-C244 VanDerWaalsContact CG-CB 3.43Å; P207-V247 HydrophobicContact CB-CG2 4.48Å; P207-V247 HydrophobicContact CG-CG2 4.45Å |
| 208 | E | 94.7 | Very high | 86 | Confident | 90 Ų | 90 | 68.1 Ų | 68.1 | 42% | 0.421 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | -52.5 | 176.9 | -169.2 | -175.8 | 141.3 | 0 | 0 | 111.3 | K225 K227 | E208-K225 HydrophobicContact CB-CG 4.39Å; E208-K225 WeakPolarHBondContact CB-O 3.38Å; E208-K225 PolarHBondContact N-O 3.39Å; E208-K225 IonicContact OE1-NZ 3.81Å; E208-K225 PolarHBondContact OE1-NZ 2.97Å; E208-K225 IonicContact OE2-NZ 2.75Å; E208-K225 PolarHBondContact OE2-NZ 3.09Å; E208-K227 HydrophobicContact CB-CG 3.85Å; E208-K227 HydrophobicContact CG-CG 4.23Å |
| 209 | R | 94.5 | Very high | 87.1 | Confident | 126 Ų | 126 | 66.8 Ų | 66.8 | 48% | 0.475 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.6 | 153.2 | -178.2 | -172.7 | 179.3 | -73.3 | -115.8 | -2.8 | 110.7 | K225 E254 | R209-K225 PolarHBondContact N-O 3.07Å; R209-K225 WeakPolarHBondContact O-CB 3.47Å; R209-K225 PolarHBondContact O-N 2.83Å; R209-E254 IonicContact CZ-OE1 2.72Å; R209-E254 VanDerWaalsContact NH1-CD 3.27Å; R209-E254 IonicContact NH1-OE1 2.73Å; R209-E254 PolarHBondContact NH1-OE1 3.41Å; R209-E254 IonicContact NH1-OE2 2.64Å; R209-E254 PolarHBondContact NH1-OE2 3.29Å; R209-E254 IonicContact NH2-OE1 2.66Å |
| 210 | I | 95.4 | Very high | 87.8 | Confident | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.005 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 122.1 | 166.5 | -62.9 | 161.8 | 0 | 0 | 0 | 109.2 | G212 F222 M224 V247 V248 F251 | I210-G212 VanDerWaalsContact CG2-O 3.23Å; I210-G212 WeakPolarHBondContact CG2-O 3.24Å; I210-F222 HydrophobicContact CD1-CB 4.26Å; I210-F222 HydrophobicContact CD1-CD1 4.09Å; I210-F222 HydrophobicContact CD1-CD2 3.81Å; I210-F222 HydrophobicContact CD1-CE1 4.38Å; I210-F222 HydrophobicContact CD1-CE2 4.11Å; I210-F222 HydrophobicContact CD1-CG 3.8Å; I210-F222 HydrophobicContact CD1-CZ 4.38Å; I210-F222 HydrophobicContact CG1-CB 4.16Å; I210-F222 HydrophobicContact CG1-CG 4.24Å; I210-F222 HydrophobicContact CG2-CB 3.83Å; I210-F222 HydrophobicContact CG2-CD1 3.75Å; I210-F222 HydrophobicContact CG2-CG 3.98Å; I210-M224 HydrophobicContact CD1-CE 4.36Å; I210-M224 HydrophobicContact CG1-CE 3.81Å; I210-M224 HydrophobicContact CG1-SD 3.85Å; I210-V247 HydrophobicContact CD1-CG1 4.41Å; I210-V247 HydrophobicContact CG1-CG1 4.14Å; I210-V248 HydrophobicContact CD1-CB 4.21Å; I210-V248 HydrophobicContact CD1-CG2 3.79Å; I210-F251 HydrophobicContact CB-CB 3.99Å; I210-F251 HydrophobicContact CB-CD2 3.61Å; I210-F251 HydrophobicContact CB-CE2 4.2Å; I210-F251 HydrophobicContact CB-CG 3.81Å; I210-F251 HydrophobicContact CD1-CB 4.03Å; I210-F251 HydrophobicContact CD1-CG 4.27Å; I210-F251 HydrophobicContact CG2-CD1 4.21Å; I210-F251 HydrophobicContact CG2-CD2 3.47Å; I210-F251 VanDerWaalsContact CG2-CD2 3.47Å; I210-F251 HydrophobicContact CG2-CE1 4.3Å; I210-F251 HydrophobicContact CG2-CE2 3.54Å; I210-F251 HydrophobicContact CG2-CG 3.81Å; I210-F251 HydrophobicContact CG2-CZ 3.98Å; I210-F251 VanDerWaalsContact O-CD2 3.31Å; I210-F251 WeakPolarHBondContact O-CD2 3.37Å |
| 211 | I | 94.1 | Very high | 88.2 | Confident | 83 Ų | 83 | 65.7 Ų | 65.7 | 43% | 0.426 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | -42.3 | -179.9 | -60 | 171.9 | 0 | 0 | 0 | 109.9 | L223 K225 A232 R255 | I211-L223 HydrophobicContact CB-CB 4.46Å; I211-L223 HydrophobicContact CB-CD2 4.14Å; I211-L223 HydrophobicContact CB-CG 4.26Å; I211-L223 HydrophobicContact CD1-CD2 4.41Å; I211-L223 HydrophobicContact CD1-CG 4.38Å; I211-L223 HydrophobicContact CG2-CD2 4.16Å; I211-L223 PolarHBondContact N-O 3.29Å; I211-K225 HydrophobicContact CD1-CB 3.99Å; I211-K225 HydrophobicContact CG1-CB 4.05Å; I211-A232 HydrophobicContact CD1-CB 3.97Å; I211-R255 PolarHBondContact O-NH2 3.29Å |
| 212 | G | 92.8 | Very high | 88.5 | Confident | 22 Ų | 22 | 64.3 Ų | 64.3 | 23% | 0.227 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.4 | 171.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I210 F222 L223 | I210-G212 VanDerWaalsContact CG2-O 3.23Å; I210-G212 WeakPolarHBondContact CG2-O 3.24Å; G212-F222 WeakPolarHBondContact O-CA 3.47Å; G212-L223 PolarHBondContact O-N 3.39Å |
| 213 | A | 94.2 | Very high | 89 | Confident | 52 Ų | 52 | 64 Ų | 64 | 43% | 0.43 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 144.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | L220 M221 F222 F251 | A213-L220 HydrophobicContact CB-CD1 3.97Å; A213-M221 CarbonylContact C-O 3.3Å; A213-M221 VanDerWaalsContact CA-O 3.28Å; A213-M221 WeakPolarHBondContact CA-O 3.31Å; A213-F222 HydrophobicContact CB-CD1 3.78Å; A213-F222 HydrophobicContact CB-CE1 3.97Å; A213-F251 HydrophobicContact CB-CE1 3.98Å; A213-F251 HydrophobicContact CB-CZ 3.86Å |
| 214 | T | 91.5 | Very high | 89.5 | Confident | 47 Ų | 47 | 61 Ų | 61 | 29% | 0.288 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 146.1 | 175.2 | -178.5 | 0 | 0 | 0 | 0 | 109.5 | S216 M221 L234 | T214-S216 PolarHBondContact OG1-N 3.27Å; T214-S216 PolarHBondContact OG1-OG 3.28Å; T214-M221 HydrophobicContact CG2-CB 3.95Å; T214-M221 PolarHBondContact N-O 2.9Å; T214-M221 PolarHBondContact O-N 3.46Å; T214-L234 HydrophobicContact CG2-CD2 4.23Å |
| 215 | D | 90.4 | Very high | 89.8 | Confident | 122 Ų | 122 | 61.3 Ų | 61.3 | 65% | 0.652 | 35% | 0.353 | S | S | * | . | trans | -113.7 | 17.3 | 175.3 | 65.5 | -16.6 | 0 | 0 | 0 | 112.1 | T217 G218 | D215-T217 PolarHBondContact O-N 3.33Å; D215-G218 PolarHBondContact O-N 3.09Å | ||
| 216 | S | 63.3 | Low | 90.1 | Very high | 93 Ų | 93 | 59 Ų | 59 | 65% | 0.65 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -16.3 | -171.1 | 61.5 | 0 | 0 | 0 | 0 | 115.8 | T214 | T214-S216 PolarHBondContact OG1-N 3.27Å; T214-S216 PolarHBondContact OG1-OG 3.28Å |
| 217 | T | 73.8 | Confident | 90.1 | Very high | 100 Ų | 100 | 58.6 Ų | 58.6 | 61% | 0.613 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.6 | 7.3 | 176.1 | 57.4 | 0 | 0 | 0 | 0 | 113.3 | D215 E219 | D215-T217 PolarHBondContact O-N 3.33Å; T217-E219 PolarHBondContact O-N 2.78Å |
| 218 | G | 84.1 | Confident | 89.6 | Confident | 81 Ų | 81 | 65.4 Ų | 65.4 | 84% | 0.835 | 37% | 0.37 | S | S | * | . | S | Bend | trans | 74.5 | 1.1 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | D215 | D215-G218 PolarHBondContact O-N 3.09Š|
| 219 | E | 87 | Confident | 89.2 | Confident | 71 Ų | 71 | 62 Ų | 62 | 33% | 0.332 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -119.2 | 136.6 | 170.6 | -178.4 | 161.8 | -142.3 | 0 | 0 | 109.1 | T217 M221 K238 | T217-E219 PolarHBondContact O-N 2.78Å; E219-M221 PolarHBondContact O-N 3.37Å; E219-K238 WeakPolarHBondContact OE1-CD 3.24Å; E219-K238 VanDerWaalsContact OE1-CE 3.31Å; E219-K238 WeakPolarHBondContact OE1-CE 3.25Å; E219-K238 IonicContact OE1-NZ 3.15Å; E219-K238 PolarHBondContact OE1-NZ 3.14Å |
| 220 | L | 89.8 | Confident | 88.6 | Confident | 62 Ų | 62 | 63.9 Ų | 63.9 | 33% | 0.325 | 38% | 0.375 | S | S | . | . | trans | -68.5 | 119.4 | 177.3 | -176.3 | 68 | 0 | 0 | 0 | 110 | A213 F222 A237 Y252 | A213-L220 HydrophobicContact CB-CD1 3.97Å; L220-F222 HydrophobicContact CD2-CE1 4.12Å; L220-F222 HydrophobicContact CD2-CZ 4.05Å; L220-F222 HydrophobicContact CG-CE1 4.37Å; L220-A237 HydrophobicContact CB-CB 3.86Å; L220-A237 HydrophobicContact CD2-CB 3.63Å; L220-A237 HydrophobicContact CG-CB 3.72Å; L220-A237 WeakPolarHBondContact O-CB 3.47Å; L220-A237 PolarHBondContact O-N 2.79Å; L220-Y252 WeakPolarHBondContact CD2-OH 3.37Å | ||
| 221 | M | 92.9 | Very high | 87.9 | Confident | 32 Ų | 32 | 67.9 Ų | 67.9 | 16% | 0.158 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 135.5 | 177.6 | -59.2 | -69.6 | -72.3 | 0 | 0 | 109.4 | A213 T214 E219 L234 V235 P236 | A213-M221 CarbonylContact C-O 3.3Å; A213-M221 VanDerWaalsContact CA-O 3.28Å; A213-M221 WeakPolarHBondContact CA-O 3.31Å; T214-M221 HydrophobicContact CG2-CB 3.95Å; T214-M221 PolarHBondContact N-O 2.9Å; T214-M221 PolarHBondContact O-N 3.46Å; E219-M221 PolarHBondContact O-N 3.37Å; M221-L234 HydrophobicContact CB-CD2 4.42Å; M221-L234 HydrophobicContact CE-CB 4.02Å; M221-V235 CarbonylContact C-O 3.54Å; M221-V235 WeakPolarHBondContact CA-O 3.43Å; M221-P236 HydrophobicContact CE-CG 4.05Å; M221-P236 VanDerWaalsContact SD-CA 3.56Å; M221-P236 HydrophobicContact SD-CB 4.03Å; M221-P236 HydrophobicContact SD-CG 3.95Å |
| 222 | F | 94.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 134.7 | 173.3 | -66 | -47.5 | 0 | 0 | 0 | 110.6 | I210 G212 A213 L220 M224 L234 V235 A237 A240 V248 F251 Y252 | I210-F222 HydrophobicContact CD1-CB 4.26Å; I210-F222 HydrophobicContact CD1-CD1 4.09Å; I210-F222 HydrophobicContact CD1-CD2 3.81Å; I210-F222 HydrophobicContact CD1-CE1 4.38Å; I210-F222 HydrophobicContact CD1-CE2 4.11Å; I210-F222 HydrophobicContact CD1-CG 3.8Å; I210-F222 HydrophobicContact CD1-CZ 4.38Å; I210-F222 HydrophobicContact CG1-CB 4.16Å; I210-F222 HydrophobicContact CG1-CG 4.24Å; I210-F222 HydrophobicContact CG2-CB 3.83Å; I210-F222 HydrophobicContact CG2-CD1 3.75Å; I210-F222 HydrophobicContact CG2-CG 3.98Å; G212-F222 WeakPolarHBondContact O-CA 3.47Å; A213-F222 HydrophobicContact CB-CD1 3.78Å; A213-F222 HydrophobicContact CB-CE1 3.97Å; L220-F222 HydrophobicContact CD2-CE1 4.12Å; L220-F222 HydrophobicContact CD2-CZ 4.05Å; L220-F222 HydrophobicContact CG-CE1 4.37Å; F222-M224 PolarHBondContact O-N 2.81Å; F222-L234 CarbonylContact O-C 3.57Å; F222-L234 WeakPolarHBondContact O-CA 3.32Å; F222-V235 PolarHBondContact N-O 2.82Å; F222-V235 PolarHBondContact O-N 3.24Å; F222-A237 HydrophobicContact CD2-CB 3.94Å; F222-A237 HydrophobicContact CE2-CB 3.47Å; F222-A237 VanDerWaalsContact CE2-CB 3.47Å; F222-A237 HydrophobicContact CZ-CB 3.84Å; F222-A240 HydrophobicContact CD2-CB 3.65Å; F222-A240 HydrophobicContact CE2-CB 4.04Å; F222-V248 HydrophobicContact CD2-CG2 4.42Å; F222-V248 HydrophobicContact CE2-CG1 3.85Å; F222-V248 HydrophobicContact CE2-CG2 3.9Å; F222-V248 HydrophobicContact CZ-CG1 3.82Å; F222-F251 HydrophobicContact CD1-CE1 4.38Å; F222-F251 HydrophobicContact CE1-CD1 4.17Å; F222-F251 HydrophobicContact CE1-CE1 4Å; F222-Y252 AromaticContact CZ-CE2 3.99Å; F222-Y252 HydrophobicContact CZ-CE2 3.99Å; F222-Y252 AromaticContact CZ-CZ 3.98Å |
| 223 | L | 93.4 | Very high | 87.6 | Confident | 58 Ų | 58 | 64.5 Ų | 64.5 | 30% | 0.304 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 102.9 | 164.7 | -175.7 | 63.8 | 0 | 0 | 0 | 108.3 | I211 G212 A232 L234 | I211-L223 HydrophobicContact CB-CB 4.46Å; I211-L223 HydrophobicContact CB-CD2 4.14Å; I211-L223 HydrophobicContact CB-CG 4.26Å; I211-L223 HydrophobicContact CD1-CD2 4.41Å; I211-L223 HydrophobicContact CD1-CG 4.38Å; I211-L223 HydrophobicContact CG2-CD2 4.16Å; I211-L223 PolarHBondContact N-O 3.29Å; G212-L223 PolarHBondContact O-N 3.39Å; L223-A232 HydrophobicContact CD1-CB 3.7Å; L223-A232 HydrophobicContact CG-CB 4.05Å; L223-L234 HydrophobicContact CB-CD2 4.27Å; L223-L234 HydrophobicContact CD1-CD2 4.2Å |
| 224 | M | 93.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 130.1 | -174.1 | -170.5 | 68.2 | 73.8 | 0 | 0 | 111.2 | F201 P207 I210 F222 W226 A232 D233 V235 A240 V247 | F201-M224 HydrophobicContact CZ-CE 4.33Å; P207-M224 HydrophobicContact CB-CE 4.19Å; P207-M224 HydrophobicContact CB-CG 4.22Å; P207-M224 HydrophobicContact CB-SD 3.63Å; I210-M224 HydrophobicContact CD1-CE 4.36Å; I210-M224 HydrophobicContact CG1-CE 3.81Å; I210-M224 HydrophobicContact CG1-SD 3.85Å; F222-M224 PolarHBondContact O-N 2.81Å; M224-W226 HydrophobicContact CB-CH2 4.43Å; M224-W226 HydrophobicContact CB-CZ2 3.8Å; M224-W226 HydrophobicContact CG-CD2 4.13Å; M224-W226 HydrophobicContact CG-CE3 4.3Å; M224-W226 HydrophobicContact CG-CH2 3.79Å; M224-W226 HydrophobicContact CG-CZ2 3.56Å; M224-W226 HydrophobicContact CG-CZ3 4.17Å; M224-A232 VanDerWaalsContact O-CA 3.25Å; M224-A232 WeakPolarHBondContact O-CA 3.17Å; M224-D233 PolarHBondContact N-O 2.83Å; M224-D233 PolarHBondContact O-N 3.34Å; M224-V235 HydrophobicContact CB-CG2 3.83Å; M224-A240 HydrophobicContact CE-CB 4.24Å; M224-V247 HydrophobicContact SD-CG1 4.38Å |
| 225 | K | 91.8 | Very high | 87.5 | Confident | 75 Ų | 75 | 63.3 Ų | 63.3 | 33% | 0.326 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 132.2 | 164.2 | -172.3 | 173 | -173.4 | -85.1 | 0 | 109.3 | E208 R209 I211 | E208-K225 HydrophobicContact CB-CG 4.39Å; E208-K225 WeakPolarHBondContact CB-O 3.38Å; E208-K225 PolarHBondContact N-O 3.39Å; E208-K225 IonicContact OE1-NZ 3.81Å; E208-K225 PolarHBondContact OE1-NZ 2.97Å; E208-K225 IonicContact OE2-NZ 2.75Å; E208-K225 PolarHBondContact OE2-NZ 3.09Å; R209-K225 PolarHBondContact N-O 3.07Å; R209-K225 WeakPolarHBondContact O-CB 3.47Å; R209-K225 PolarHBondContact O-N 2.83Å; I211-K225 HydrophobicContact CD1-CB 3.99Å; I211-K225 HydrophobicContact CG1-CB 4.05Å |
| 226 | W | 95.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 150.4 | 179.1 | -56 | 102.5 | 0 | 0 | 0 | 111.4 | G200 F201 L205 P207 M224 D233 V235 | G200-W226 VanDerWaalsContact C-CH2 3.5Å; F201-W226 HydrophobicContact CB-CH2 4.42Å; F201-W226 AromaticContact CD1-CH2 3.51Å; F201-W226 HydrophobicContact CD1-CH2 3.51Å; F201-W226 AromaticContact CD1-CZ3 3.6Å; F201-W226 HydrophobicContact CD1-CZ3 3.6Å; F201-W226 HydrophobicContact CD2-CH2 4.16Å; F201-W226 AromaticContact CE1-CH2 3.71Å; F201-W226 HydrophobicContact CE1-CH2 3.71Å; F201-W226 AromaticContact CE1-CZ3 3.78Å; F201-W226 HydrophobicContact CE1-CZ3 3.78Å; F201-W226 HydrophobicContact CE2-CH2 4.4Å; F201-W226 AromaticContact CG-CH2 3.75Å; F201-W226 HydrophobicContact CG-CH2 3.75Å; F201-W226 HydrophobicContact CG-CZ3 4.27Å; F201-W226 HydrophobicContact CZ-CH2 4.16Å; L205-W226 HydrophobicContact CB-CB 3.83Å; L205-W226 HydrophobicContact CB-CD2 4.09Å; L205-W226 HydrophobicContact CB-CE3 3.82Å; L205-W226 HydrophobicContact CB-CG 4.09Å; L205-W226 HydrophobicContact CD1-CB 3.68Å; L205-W226 HydrophobicContact CD1-CG 3.98Å; L205-W226 HydrophobicContact CG-CB 4.41Å; L205-W226 VanDerWaalsContact O-CE3 3.26Å; L205-W226 WeakPolarHBondContact O-CZ3 3.14Å; P207-W226 HydrophobicContact CB-CE3 4.37Å; P207-W226 HydrophobicContact CB-CZ3 4.12Å; M224-W226 HydrophobicContact CB-CH2 4.43Å; M224-W226 HydrophobicContact CB-CZ2 3.8Å; M224-W226 HydrophobicContact CG-CD2 4.13Å; M224-W226 HydrophobicContact CG-CE3 4.3Å; M224-W226 HydrophobicContact CG-CH2 3.79Å; M224-W226 HydrophobicContact CG-CZ2 3.56Å; M224-W226 HydrophobicContact CG-CZ3 4.17Å; W226-D233 HydrophobicContact CZ2-CB 4.33Å; W226-D233 PolarHBondContact NE1-OD2 3.17Å; W226-V235 HydrophobicContact CH2-CG2 4.19Å; W226-V235 HydrophobicContact CZ2-CG2 3.71Å |
| 227 | K | 90.9 | Very high | 89.1 | Confident | 91 Ų | 91 | 55.2 Ų | 55.2 | 40% | 0.396 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | 141.2 | 170.9 | -64.1 | -173.4 | -169.2 | 165.6 | 0 | 109.4 | D206 E208 S229 | D206-K227 HydrophobicContact CB-CB 4.28Å; D206-K227 HydrophobicContact CB-CD 3.77Å; D206-K227 HydrophobicContact CB-CG 4.12Å; D206-K227 PolarHBondContact O-N 3.35Å; D206-K227 IonicContact OD2-NZ 3.57Å; E208-K227 HydrophobicContact CB-CG 3.85Å; E208-K227 HydrophobicContact CG-CG 4.23Å; K227-S229 PolarHBondContact O-N 3.25Å; K227-S229 VanDerWaalsContact O-N 3.13Å |
| 228 | N | 84.4 | Confident | 90.1 | Very high | 168 Ų | 168 | 57.4 Ų | 57.4 | 90% | 0.898 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 18 | 178.2 | -53.9 | 83.7 | 0 | 0 | 0 | 114.2 | ||
| 229 | S | 85.4 | Confident | 90.6 | Very high | 19 Ų | 19 | 56.9 Ų | 56.9 | 13% | 0.133 | 29% | 0.29 | C | S | . | . | trans | -139.4 | 139.1 | 171.7 | 178.8 | 0 | 0 | 0 | 0 | 109.9 | R203 K227 E231 | R203-S229 PolarHBondContact NH2-OG 2.87Å; R203-S229 VanDerWaalsContact NH2-OG 3.13Å; K227-S229 PolarHBondContact O-N 3.25Å; K227-S229 VanDerWaalsContact O-N 3.13Å; S229-E231 PolarHBondContact OG-N 3.46Å | ||
| 230 | D | 82.6 | Confident | 90.9 | Very high | 164 Ų | 164 | 53.5 Ų | 53.5 | 88% | 0.877 | 27% | 0.274 | S | S | * | . | trans | -87.6 | -12.9 | 173.2 | 54.3 | -19.9 | 0 | 0 | 0 | 112.7 | ||||
| 231 | E | 81.5 | Confident | 91.2 | Very high | 85 Ų | 85 | 54.4 Ų | 54.4 | 40% | 0.397 | 28% | 0.279 | S | S | . | . | trans | -80.4 | 128.5 | 179 | -173.1 | -177.5 | 178.5 | 0 | 0 | 110.7 | R203 S229 | R203-E231 IonicContact CZ-OE2 3.21Å; R203-E231 IonicContact NH1-OE2 3.29Å; R203-E231 PolarHBondContact NH1-OE2 3.29Å; R203-E231 IonicContact NH2-OE2 2.7Å; R203-E231 PolarHBondContact NH2-OE2 3.47Å; S229-E231 PolarHBondContact OG-N 3.46Å | ||
| 232 | A | 89 | Confident | 91.3 | Very high | 35 Ų | 35 | 58.6 Ų | 58.6 | 29% | 0.289 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 136.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | I211 L223 M224 | I211-A232 HydrophobicContact CD1-CB 3.97Å; L223-A232 HydrophobicContact CD1-CB 3.7Å; L223-A232 HydrophobicContact CG-CB 4.05Å; M224-A232 VanDerWaalsContact O-CA 3.25Å; M224-A232 WeakPolarHBondContact O-CA 3.17Å |
| 233 | D | 90 | Very high | 91.3 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 144.8 | -176.6 | -71.8 | -50.6 | 0 | 0 | 0 | 113 | R199 G200 R203 M224 W226 V235 | R199-D233 WeakPolarHBondContact CG-OD1 3.3Å; R199-D233 IonicContact CZ-OD1 2.73Å; R199-D233 IonicContact NE-OD1 3.63Å; R199-D233 PolarHBondContact NE-OD1 3.36Å; R199-D233 IonicContact NH2-OD1 2.97Å; G200-D233 VanDerWaalsContact N-CG 3.31Å; G200-D233 PolarHBondContact N-OD2 3.03Å; R203-D233 VanDerWaalsContact CD-OD2 3.24Å; R203-D233 WeakPolarHBondContact CD-OD2 3.48Å; R203-D233 IonicContact CZ-OD2 2.7Å; R203-D233 IonicContact NH1-OD2 3.99Å; R203-D233 PolarHBondContact NH1-OD2 3.28Å; M224-D233 PolarHBondContact N-O 2.83Å; M224-D233 PolarHBondContact O-N 3.34Å; W226-D233 HydrophobicContact CZ2-CB 4.33Å; W226-D233 PolarHBondContact NE1-OD2 3.17Å; D233-V235 HydrophobicContact CB-CG2 4.49Å |
| 234 | L | 91.1 | Very high | 91.3 | Very high | 73 Ų | 73 | 62 Ų | 62 | 38% | 0.382 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 121.4 | 168.4 | -72.3 | 176.9 | 0 | 0 | 0 | 109.8 | R199 T214 M221 F222 L223 | R199-L234 VanDerWaalsContact NH2-N 3.17Å; T214-L234 HydrophobicContact CG2-CD2 4.23Å; M221-L234 HydrophobicContact CB-CD2 4.42Å; M221-L234 HydrophobicContact CE-CB 4.02Å; F222-L234 CarbonylContact O-C 3.57Å; F222-L234 WeakPolarHBondContact O-CA 3.32Å; L223-L234 HydrophobicContact CB-CD2 4.27Å; L223-L234 HydrophobicContact CD1-CD2 4.2Å |
| 235 | V | 93.6 | Very high | 91.4 | Very high | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.006 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 129.1 | -176.1 | 175.8 | 0 | 0 | 0 | 0 | 109.1 | F201 M221 F222 M224 W226 D233 A237 A240 | F201-V235 HydrophobicContact CD2-CG1 3.73Å; F201-V235 HydrophobicContact CE2-CG1 3.27Å; F201-V235 HydrophobicContact CZ-CG1 4.23Å; M221-V235 CarbonylContact C-O 3.54Å; M221-V235 WeakPolarHBondContact CA-O 3.43Å; F222-V235 PolarHBondContact N-O 2.82Å; F222-V235 PolarHBondContact O-N 3.24Å; M224-V235 HydrophobicContact CB-CG2 3.83Å; W226-V235 HydrophobicContact CH2-CG2 4.19Å; W226-V235 HydrophobicContact CZ2-CG2 3.71Å; D233-V235 HydrophobicContact CB-CG2 4.49Å; V235-A237 PolarHBondContact O-N 3.06Å; V235-A240 HydrophobicContact CG1-CB 4.1Å |
| 236 | P | 94 | Very high | 91.6 | Very high | 39 Ų | 39 | 67.4 Ų | 67.4 | 25% | 0.253 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 133.1 | 174.2 | -23.1 | 33.2 | 0 | 0 | 0 | 111.7 | M221 K238 E239 A240 | M221-P236 HydrophobicContact CE-CG 4.05Å; M221-P236 VanDerWaalsContact SD-CA 3.56Å; M221-P236 HydrophobicContact SD-CB 4.03Å; M221-P236 HydrophobicContact SD-CG 3.95Å; P236-K238 PolarHBondContact O-N 3.47Å; P236-E239 HydrophobicContact CB-CB 4.41Å; P236-E239 WeakPolarHBondContact O-CB 3.22Å; P236-E239 PolarHBondContact O-N 3.48Å; P236-A240 PolarHBondContact O-N 2.79Å; P236-A240 VanDerWaalsContact O-N 3.11Å |
| 237 | A | 94.2 | Very high | 91.7 | Very high | 6 Ų | 6 | 68.9 Ų | 68.9 | 5% | 0.05 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -57.8 | -36.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112 | L220 F222 V235 E239 A240 N241 | L220-A237 HydrophobicContact CB-CB 3.86Å; L220-A237 HydrophobicContact CD2-CB 3.63Å; L220-A237 HydrophobicContact CG-CB 3.72Å; L220-A237 WeakPolarHBondContact O-CB 3.47Å; L220-A237 PolarHBondContact O-N 2.79Å; F222-A237 HydrophobicContact CD2-CB 3.94Å; F222-A237 HydrophobicContact CE2-CB 3.47Å; F222-A237 VanDerWaalsContact CE2-CB 3.47Å; F222-A237 HydrophobicContact CZ-CB 3.84Å; V235-A237 PolarHBondContact O-N 3.06Å; A237-E239 PolarHBondContact O-N 3.5Å; A237-A240 PolarHBondContact O-N 3.28Å; A237-N241 WeakPolarHBondContact O-CB 3.49Å; A237-N241 PolarHBondContact O-N 3.49Å; A237-N241 PolarHBondContact O-ND2 2.88Å; A237-N241 PolarHBondContact O-OD1 3.49Å; A237-N241 VanDerWaalsContact O-OD1 3.08Å |
| 238 | K | 94 | Very high | 91.9 | Very high | 146 Ų | 146 | 64.8 Ų | 64.8 | 64% | 0.635 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -55.6 | -38.9 | 175.1 | -66.3 | 176.5 | -173.5 | 146.6 | 0 | 112.6 | E219 P236 | E219-K238 WeakPolarHBondContact OE1-CD 3.24Å; E219-K238 VanDerWaalsContact OE1-CE 3.31Å; E219-K238 WeakPolarHBondContact OE1-CE 3.25Å; E219-K238 IonicContact OE1-NZ 3.15Å; E219-K238 PolarHBondContact OE1-NZ 3.14Å; P236-K238 PolarHBondContact O-N 3.47Å |
| 239 | E | 93.4 | Very high | 92.4 | Very high | 70 Ų | 70 | 60.2 Ų | 60.2 | 33% | 0.327 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -75.9 | -45 | 179.5 | -171.1 | -179.9 | 175.7 | 0 | 0 | 111.3 | F201 P236 A237 N241 V242 K243 | F201-E239 VanDerWaalsContact CD2-CD 3.48Å; F201-E239 HydrophobicContact CD2-CG 3.76Å; F201-E239 VanDerWaalsContact CD2-OE1 3.24Å; F201-E239 WeakPolarHBondContact CD2-OE1 3.35Å; F201-E239 HydrophobicContact CE2-CB 4.46Å; F201-E239 HydrophobicContact CE2-CG 3.9Å; P236-E239 HydrophobicContact CB-CB 4.41Å; P236-E239 WeakPolarHBondContact O-CB 3.22Å; P236-E239 PolarHBondContact O-N 3.48Å; A237-E239 PolarHBondContact O-N 3.5Å; E239-N241 VanDerWaalsContact C-N 3.32Å; E239-N241 PolarHBondContact O-N 2.76Å; E239-V242 PolarHBondContact O-N 3.03Å; E239-V242 VanDerWaalsContact O-N 3.17Å; E239-K243 HydrophobicContact CG-CD 3.93Å; E239-K243 HydrophobicContact CG-CG 4.45Å; E239-K243 PolarHBondContact O-N 2.98Å; E239-K243 WeakPolarHBondContact OE1-CE 3.24Å; E239-K243 IonicContact OE1-NZ 2.84Å; E239-K243 PolarHBondContact OE1-NZ 3.49Å |
| 240 | A | 95.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.6 | -37.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | F201 F222 M224 V235 P236 A237 V242 K243 C244 V248 | F201-A240 HydrophobicContact CE2-CB 4.39Å; F201-A240 HydrophobicContact CZ-CB 4.42Å; F222-A240 HydrophobicContact CD2-CB 3.65Å; F222-A240 HydrophobicContact CE2-CB 4.04Å; M224-A240 HydrophobicContact CE-CB 4.24Å; V235-A240 HydrophobicContact CG1-CB 4.1Å; P236-A240 PolarHBondContact O-N 2.79Å; P236-A240 VanDerWaalsContact O-N 3.11Å; A237-A240 PolarHBondContact O-N 3.28Å; A240-V242 PolarHBondContact O-N 2.99Å; A240-K243 PolarHBondContact O-N 2.91Å; A240-C244 CarbonylContact O-C 3.58Å; A240-C244 VanDerWaalsContact O-C 3.3Å; A240-C244 PolarHBondContact O-N 3.28Å; A240-C244 PolarHBondContact O-SG 3.31Å; A240-V248 HydrophobicContact CB-CG2 3.78Å |
| 241 | N | 95.4 | Very high | 93.3 | Very high | 80 Ų | 80 | 54.5 Ų | 54.5 | 43% | 0.428 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.8 | -30.3 | 177 | -68.4 | -8 | 0 | 0 | 0 | 112.5 | A237 E239 P245 V248 | A237-N241 WeakPolarHBondContact O-CB 3.49Å; A237-N241 PolarHBondContact O-N 3.49Å; A237-N241 PolarHBondContact O-ND2 2.88Å; A237-N241 PolarHBondContact O-OD1 3.49Å; A237-N241 VanDerWaalsContact O-OD1 3.08Å; E239-N241 VanDerWaalsContact C-N 3.32Å; E239-N241 PolarHBondContact O-N 2.76Å; N241-P245 WeakPolarHBondContact O-CB 3.37Å; N241-V248 WeakPolarHBondContact OD1-CG1 3.41Å |
| 242 | V | 95.6 | Very high | 93.9 | Very high | 121 Ų | 121 | 55 Ų | 55 | 73% | 0.733 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -89.3 | -44.8 | 179.1 | 178.7 | 0 | 0 | 0 | 0 | 111 | E239 A240 | E239-V242 PolarHBondContact O-N 3.03Å; E239-V242 VanDerWaalsContact O-N 3.17Å; A240-V242 PolarHBondContact O-N 2.99Å |
| 243 | K | 93.2 | Very high | 94 | Very high | 117 Ų | 117 | 59.8 Ų | 59.8 | 51% | 0.509 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -80.5 | -37.3 | -172.4 | -71.2 | -173.4 | 176.7 | 177.8 | 0 | 113.8 | F201 E239 A240 | F201-K243 HydrophobicContact CB-CD 3.82Å; F201-K243 HydrophobicContact CD1-CB 4.2Å; F201-K243 HydrophobicContact CD1-CD 3.61Å; F201-K243 HydrophobicContact CD2-CD 3.56Å; F201-K243 HydrophobicContact CE1-CB 3.71Å; F201-K243 HydrophobicContact CE1-CD 3.97Å; F201-K243 HydrophobicContact CE2-CB 4.11Å; F201-K243 HydrophobicContact CE2-CD 3.84Å; F201-K243 HydrophobicContact CE2-CG 4.48Å; F201-K243 HydrophobicContact CG-CD 3.39Å; F201-K243 HydrophobicContact CZ-CB 3.66Å; F201-K243 HydrophobicContact CZ-CD 4.07Å; F201-K243 HydrophobicContact CZ-CG 4.46Å; E239-K243 HydrophobicContact CG-CD 3.93Å; E239-K243 HydrophobicContact CG-CG 4.45Å; E239-K243 PolarHBondContact O-N 2.98Å; E239-K243 WeakPolarHBondContact OE1-CE 3.24Å; E239-K243 IonicContact OE1-NZ 2.84Å; E239-K243 PolarHBondContact OE1-NZ 3.49Å; A240-K243 PolarHBondContact O-N 2.91Å |
| 244 | C | 93.8 | Very high | 93.9 | Very high | 11 Ų | 11 | 65.1 Ų | 65.1 | 7% | 0.074 | 33% | 0.329 | C | S | . | . | trans | -142.3 | 60.3 | -177.2 | 62.9 | 0 | 0 | 0 | 0 | 112.5 | P207 A240 Q246 V247 V248 | P207-C244 HydrophobicContact CB-CB 4.26Å; P207-C244 HydrophobicContact CG-CB 3.43Å; P207-C244 VanDerWaalsContact CG-CB 3.43Å; A240-C244 CarbonylContact O-C 3.58Å; A240-C244 VanDerWaalsContact O-C 3.3Å; A240-C244 PolarHBondContact O-N 3.28Å; A240-C244 PolarHBondContact O-SG 3.31Å; C244-Q246 PolarHBondContact O-N 2.94Å; C244-V247 HydrophobicContact CB-CB 4.29Å; C244-V247 HydrophobicContact CB-CG2 4.15Å; C244-V247 PolarHBondContact O-N 3.44Å; C244-V247 VanDerWaalsContact O-N 3.11Å; C244-V248 PolarHBondContact O-N 3.15Å | ||
| 245 | P | 95.4 | Very high | 93.6 | Very high | 54 Ų | 54 | 67.3 Ų | 67.3 | 35% | 0.351 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -56.7 | -37.1 | -175.8 | 20.3 | -32.4 | 0 | 0 | 0 | 113.1 | N241 V247 V248 I249 | N241-P245 WeakPolarHBondContact O-CB 3.37Å; P245-V247 VanDerWaalsContact C-N 3.34Å; P245-V247 PolarHBondContact O-N 3.2Å; P245-V248 PolarHBondContact O-N 2.64Å; P245-I249 WeakPolarHBondContact O-CB 3.34Å; P245-I249 WeakPolarHBondContact O-CD1 3.32Å; P245-I249 WeakPolarHBondContact O-CG1 3.44Å; P245-I249 PolarHBondContact O-N 2.7Å |
| 246 | Q | 96.6 | Very high | 93.3 | Very high | 136 Ų | 136 | 72.3 Ų | 72.3 | 64% | 0.636 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -62.5 | -40.7 | -179.7 | -60.2 | -56.8 | -37.8 | 0 | 0 | 112.2 | C244 V248 I249 S250 | C244-Q246 PolarHBondContact O-N 2.94Å; Q246-V248 VanDerWaalsContact C-N 3.32Å; Q246-V248 PolarHBondContact O-N 2.66Å; Q246-I249 PolarHBondContact O-N 2.82Å; Q246-S250 PolarHBondContact O-N 2.82Å; Q246-S250 PolarHBondContact O-OG 3.02Å; Q246-S250 VanDerWaalsContact O-OG 3.06Å |
| 247 | V | 96.1 | Very high | 92.5 | Very high | 30 Ų | 30 | 75.4 Ų | 75.4 | 18% | 0.182 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66 | -38.9 | 177.5 | -179.2 | 0 | 0 | 0 | 0 | 110.8 | P207 I210 M224 C244 P245 F251 | P207-V247 HydrophobicContact CB-CG2 4.48Å; P207-V247 HydrophobicContact CG-CG2 4.45Å; I210-V247 HydrophobicContact CD1-CG1 4.41Å; I210-V247 HydrophobicContact CG1-CG1 4.14Å; M224-V247 HydrophobicContact SD-CG1 4.38Å; C244-V247 HydrophobicContact CB-CB 4.29Å; C244-V247 HydrophobicContact CB-CG2 4.15Å; C244-V247 PolarHBondContact O-N 3.44Å; C244-V247 VanDerWaalsContact O-N 3.11Å; P245-V247 VanDerWaalsContact C-N 3.34Å; P245-V247 PolarHBondContact O-N 3.2Å; V247-F251 PolarHBondContact O-N 3.05Å; V247-F251 VanDerWaalsContact O-N 3.14Å |
| 248 | V | 95.8 | Very high | 91.7 | Very high | 5 Ų | 5 | 85.8 Ų | 85.8 | 3% | 0.03 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -66.2 | -46 | 176.7 | 179.1 | 0 | 0 | 0 | 0 | 111.5 | I210 F222 A240 N241 C244 P245 Q246 F251 Y252 | I210-V248 HydrophobicContact CD1-CB 4.21Å; I210-V248 HydrophobicContact CD1-CG2 3.79Å; F222-V248 HydrophobicContact CD2-CG2 4.42Å; F222-V248 HydrophobicContact CE2-CG1 3.85Å; F222-V248 HydrophobicContact CE2-CG2 3.9Å; F222-V248 HydrophobicContact CZ-CG1 3.82Å; A240-V248 HydrophobicContact CB-CG2 3.78Å; N241-V248 WeakPolarHBondContact OD1-CG1 3.41Å; C244-V248 PolarHBondContact O-N 3.15Å; P245-V248 PolarHBondContact O-N 2.64Å; Q246-V248 VanDerWaalsContact C-N 3.32Å; Q246-V248 PolarHBondContact O-N 2.66Å; V248-F251 WeakPolarHBondContact O-CB 3.5Å; V248-F251 PolarHBondContact O-N 3.35Å; V248-Y252 HydrophobicContact CG1-CD2 3.76Å; V248-Y252 HydrophobicContact CG1-CE2 3.47Å; V248-Y252 VanDerWaalsContact CG1-CE2 3.47Å; V248-Y252 VanDerWaalsContact O-CD2 3.23Å; V248-Y252 WeakPolarHBondContact O-CD2 3.45Å; V248-Y252 PolarHBondContact O-N 2.75Å |
| 249 | I | 95.4 | Very high | 90.9 | Very high | 72 Ų | 72 | 86.2 Ų | 86.2 | 37% | 0.369 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60.2 | -50 | 179.4 | -69.1 | 162.5 | 0 | 0 | 0 | 109.8 | P245 Q246 F251 Y252 E253 | P245-I249 WeakPolarHBondContact O-CB 3.34Å; P245-I249 WeakPolarHBondContact O-CD1 3.32Å; P245-I249 WeakPolarHBondContact O-CG1 3.44Å; P245-I249 PolarHBondContact O-N 2.7Å; Q246-I249 PolarHBondContact O-N 2.82Å; I249-F251 VanDerWaalsContact C-N 3.25Å; I249-F251 PolarHBondContact O-N 3.4Å; I249-Y252 PolarHBondContact O-N 2.66Å; I249-E253 HydrophobicContact CG2-CG 4.08Å; I249-E253 WeakPolarHBondContact CG2-OE1 3.44Å; I249-E253 WeakPolarHBondContact O-CG 3.42Å; I249-E253 PolarHBondContact O-N 3.16Å |
| 250 | S | 91.9 | Very high | 89.7 | Confident | 53 Ų | 53 | 88.1 Ų | 88.1 | 37% | 0.371 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -57 | -38.9 | 177.5 | -59.8 | 0 | 0 | 0 | 0 | 112.6 | Q246 Y252 E253 E254 | Q246-S250 PolarHBondContact O-N 2.82Å; Q246-S250 PolarHBondContact O-OG 3.02Å; Q246-S250 VanDerWaalsContact O-OG 3.06Å; S250-Y252 VanDerWaalsContact C-N 3.35Å; S250-Y252 PolarHBondContact O-N 3.45Å; S250-E253 PolarHBondContact O-N 3.38Å; S250-E254 WeakPolarHBondContact O-CB 3.25Å; S250-E254 VanDerWaalsContact O-CG 3.31Å; S250-E254 WeakPolarHBondContact O-CG 2.81Å; S250-E254 PolarHBondContact O-N 2.7Å |
| 251 | F | 94.9 | Very high | 88.1 | Confident | 10 Ų | 10 | 98.4 Ų | 98.4 | 4% | 0.044 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -61.2 | -41.3 | 176.7 | 169.9 | -97.2 | 0 | 0 | 0 | 113.1 | I210 A213 F222 V247 V248 I249 R255 | I210-F251 HydrophobicContact CB-CB 3.99Å; I210-F251 HydrophobicContact CB-CD2 3.61Å; I210-F251 HydrophobicContact CB-CE2 4.2Å; I210-F251 HydrophobicContact CB-CG 3.81Å; I210-F251 HydrophobicContact CD1-CB 4.03Å; I210-F251 HydrophobicContact CD1-CG 4.27Å; I210-F251 HydrophobicContact CG2-CD1 4.21Å; I210-F251 HydrophobicContact CG2-CD2 3.47Å; I210-F251 VanDerWaalsContact CG2-CD2 3.47Å; I210-F251 HydrophobicContact CG2-CE1 4.3Å; I210-F251 HydrophobicContact CG2-CE2 3.54Å; I210-F251 HydrophobicContact CG2-CG 3.81Å; I210-F251 HydrophobicContact CG2-CZ 3.98Å; I210-F251 VanDerWaalsContact O-CD2 3.31Å; I210-F251 WeakPolarHBondContact O-CD2 3.37Å; A213-F251 HydrophobicContact CB-CE1 3.98Å; A213-F251 HydrophobicContact CB-CZ 3.86Å; F222-F251 HydrophobicContact CD1-CE1 4.38Å; F222-F251 HydrophobicContact CE1-CD1 4.17Å; F222-F251 HydrophobicContact CE1-CE1 4Å; V247-F251 PolarHBondContact O-N 3.05Å; V247-F251 VanDerWaalsContact O-N 3.14Å; V248-F251 WeakPolarHBondContact O-CB 3.5Å; V248-F251 PolarHBondContact O-N 3.35Å; I249-F251 VanDerWaalsContact C-N 3.25Å; I249-F251 PolarHBondContact O-N 3.4Å; F251-R255 VanDerWaalsContact CE2-NE 3.28Å; F251-R255 VanDerWaalsContact CE2-NH1 3.33Å |
| 252 | Y | 93.1 | Very high | 86.5 | Confident | 96 Ų | 96 | 100 Ų | 100 | 38% | 0.376 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -73.3 | -42.9 | 177.2 | -75.4 | -63.9 | 0 | 0 | 0 | 112.4 | L220 F222 V248 I249 S250 E254 R255 L256 | L220-Y252 WeakPolarHBondContact CD2-OH 3.37Å; F222-Y252 AromaticContact CZ-CE2 3.99Å; F222-Y252 HydrophobicContact CZ-CE2 3.99Å; F222-Y252 AromaticContact CZ-CZ 3.98Å; V248-Y252 HydrophobicContact CG1-CD2 3.76Å; V248-Y252 HydrophobicContact CG1-CE2 3.47Å; V248-Y252 VanDerWaalsContact CG1-CE2 3.47Å; V248-Y252 VanDerWaalsContact O-CD2 3.23Å; V248-Y252 WeakPolarHBondContact O-CD2 3.45Å; V248-Y252 PolarHBondContact O-N 2.75Å; I249-Y252 PolarHBondContact O-N 2.66Å; S250-Y252 VanDerWaalsContact C-N 3.35Å; S250-Y252 PolarHBondContact O-N 3.45Å; Y252-E254 VanDerWaalsContact C-N 3.27Å; Y252-E254 PolarHBondContact O-N 2.84Å; Y252-R255 CarbonylContact O-C 3.6Å; Y252-R255 PolarHBondContact O-N 3.07Å; Y252-L256 WeakPolarHBondContact O-CB 3.43Å; Y252-L256 PolarHBondContact O-N 3.26Å |
| 253 | E | 91.1 | Very high | 84.6 | Confident | 136 Ų | 136 | 100.4 Ų | 100.4 | 64% | 0.636 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -57.5 | -41.6 | 177.9 | -72.5 | 177.5 | 161.3 | 0 | 0 | 111.7 | I249 S250 R255 | I249-E253 HydrophobicContact CG2-CG 4.08Å; I249-E253 WeakPolarHBondContact CG2-OE1 3.44Å; I249-E253 WeakPolarHBondContact O-CG 3.42Å; I249-E253 PolarHBondContact O-N 3.16Å; S250-E253 PolarHBondContact O-N 3.38Å; E253-R255 PolarHBondContact O-N 3.24Å |
| 254 | E | 87.6 | Confident | 82.9 | Confident | 111 Ų | 111 | 103.3 Ų | 103.3 | 52% | 0.519 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -21.7 | 176.6 | -74.1 | 178.5 | 178.6 | 0 | 0 | 113.6 | R209 S250 Y252 | R209-E254 IonicContact CZ-OE1 2.72Å; R209-E254 VanDerWaalsContact NH1-CD 3.27Å; R209-E254 IonicContact NH1-OE1 2.73Å; R209-E254 PolarHBondContact NH1-OE1 3.41Å; R209-E254 IonicContact NH1-OE2 2.64Å; R209-E254 PolarHBondContact NH1-OE2 3.29Å; R209-E254 IonicContact NH2-OE1 2.66Å; S250-E254 WeakPolarHBondContact O-CB 3.25Å; S250-E254 VanDerWaalsContact O-CG 3.31Å; S250-E254 WeakPolarHBondContact O-CG 2.81Å; S250-E254 PolarHBondContact O-N 2.7Å; Y252-E254 VanDerWaalsContact C-N 3.27Å; Y252-E254 PolarHBondContact O-N 2.84Å |
| 255 | R | 84.6 | Confident | 81.2 | Confident | 120 Ų | 120 | 111.3 Ų | 111.3 | 45% | 0.453 | 55% | 0.55 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | -6.1 | -173.1 | -74.9 | 173.7 | 170.3 | 70.3 | -2.1 | 114.1 | I211 F251 Y252 E253 T257 | I211-R255 PolarHBondContact O-NH2 3.29Å; F251-R255 VanDerWaalsContact CE2-NE 3.28Å; F251-R255 VanDerWaalsContact CE2-NH1 3.33Å; Y252-R255 CarbonylContact O-C 3.6Å; Y252-R255 PolarHBondContact O-N 3.07Å; E253-R255 PolarHBondContact O-N 3.24Å; R255-T257 PolarHBondContact O-N 3.13Å |
| 256 | L | 87.2 | Confident | 79.1 | Confident | 105 Ų | 105 | 117.3 Ų | 117.3 | 55% | 0.55 | 57% | 0.57 | S | S | . | * | trans | -73 | 110.9 | -176.6 | -148.8 | 72.9 | 0 | 0 | 0 | 109.9 | Y252 W258 | Y252-L256 WeakPolarHBondContact O-CB 3.43Å; Y252-L256 PolarHBondContact O-N 3.26Å; L256-W258 HydrophobicContact CD2-CH2 4.36Å; L256-W258 HydrophobicContact CD2-CZ2 3.59Å | ||
| 257 | T | 77.2 | Confident | 77 | Confident | 105 Ų | 105 | 120 Ų | 120 | 64% | 0.644 | 58% | 0.582 | S | S | * | * | trans | -107.9 | 120.7 | 175 | 49.5 | 0 | 0 | 0 | 0 | 110.1 | R255 H259 | R255-T257 PolarHBondContact O-N 3.13Å; T257-H259 PolarHBondContact O-N 3.42Å; T257-H259 PolarHBondContact OG1-CE1 3.19Å | ||
| 258 | W | 78.9 | Confident | 75.1 | Confident | 224 Ų | 224 | 125.7 Ų | 125.7 | 85% | 0.848 | 61% | 0.612 | S | S | * | * | trans | -87.3 | 108.9 | 176 | -60.2 | 94.3 | 0 | 0 | 0 | 109.1 | L256 S260 | L256-W258 HydrophobicContact CD2-CH2 4.36Å; L256-W258 HydrophobicContact CD2-CZ2 3.59Å; W258-S260 PolarHBondContact O-N 3.13Å | ||
| 259 | H | 76.1 | Confident | 73.7 | Confident | 155 Ų | 155 | 133.1 Ų | 133.1 | 72% | 0.718 | 65% | 0.652 | S | S | * | * | trans | -85 | 102.6 | 170.9 | -63.6 | 81.4 | 0 | 0 | 0 | 108.4 | T257 | T257-H259 PolarHBondContact O-N 3.42Å; T257-H259 PolarHBondContact OG1-CE1 3.19Å | ||
| 260 | S | 67.8 | Low | 72.2 | Confident | 109 Ų | 109 | 139.4 Ų | 139.4 | 76% | 0.762 | 68% | 0.676 | S | S | * | * | trans | -77.6 | 117.1 | 163.5 | 56.7 | 0 | 0 | 0 | 0 | 108.2 | W258 | W258-S260 PolarHBondContact O-N 3.13Š| ||
| 261 | Y | 62.2 | Low | 70 | Confident | 216 Ų | 216 | 147.9 Ų | 147.9 | 85% | 0.847 | 72% | 0.717 | S | S | * | * | trans | -54.7 | 128.7 | 174.2 | -72.2 | -90.2 | 0 | 0 | 0 | 109.8 | T263 | Y261-T263 PolarHBondContact O-N 3.35Å; Y261-T263 VanDerWaalsContact O-N 3.11Å | ||
| 262 | P | 62.4 | Low | 68.8 | Low | 114 Ų | 114 | 154.8 Ų | 154.8 | 74% | 0.74 | 75% | 0.751 | S | S | * | * | trans | -64.3 | 115.2 | 166.4 | 25.8 | -28.4 | 0 | 0 | 0 | 106.8 | E264 | P262-E264 PolarHBondContact O-N 2.95Š| ||
| 263 | T | 56.2 | Low | 67.5 | Low | 130 Ų | 130 | 157.8 Ų | 157.8 | 80% | 0.798 | 77% | 0.771 | S | S | * | * | trans | -56.6 | 107.5 | 161.5 | 24 | 0 | 0 | 0 | 0 | 106.7 | Y261 E265 | Y261-T263 PolarHBondContact O-N 3.35Å; Y261-T263 VanDerWaalsContact O-N 3.11Å; T263-E265 VanDerWaalsContact C-N 3.32Å; T263-E265 PolarHBondContact O-N 2.93Å | ||
| 264 | E | 57.4 | Low | 66.2 | Low | 178 Ų | 178 | 159.1 Ų | 159.1 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | trans | -58.8 | 99.4 | 168.5 | -67 | -170.8 | 170.6 | 0 | 0 | 107.6 | P262 K266 | P262-E264 PolarHBondContact O-N 2.95Å; E264-K266 VanDerWaalsContact C-N 3.31Å; E264-K266 PolarHBondContact O-N 3.49Å | ||
| 265 | E | 56.4 | Low | 64.9 | Low | 179 Ų | 179 | 161.9 Ų | 161.9 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | trans | -62.2 | 101.6 | 160 | -70.3 | -172.6 | 172.7 | 0 | 0 | 105.8 | T263 E267 | T263-E265 VanDerWaalsContact C-N 3.32Å; T263-E265 PolarHBondContact O-N 2.93Å; E265-E267 PolarHBondContact O-N 3.38Å | ||
| 266 | K | 51.9 | Low | 63.7 | Low | 179 Ų | 179 | 164.5 Ų | 164.5 | 78% | 0.778 | 82% | 0.815 | S | S | * | * | trans | -57.5 | 105.4 | 162.9 | -76.3 | -179.4 | 176.1 | 172.9 | 0 | 106.7 | E264 D268 | E264-K266 VanDerWaalsContact C-N 3.31Å; E264-K266 PolarHBondContact O-N 3.49Å; K266-D268 PolarHBondContact O-N 3.09Å | ||
| 267 | E | 53.5 | Low | 62.1 | Low | 192 Ų | 192 | 168.5 Ų | 168.5 | 90% | 0.897 | 83% | 0.832 | S | S | * | * | trans | -60.4 | 96.1 | 157.6 | -81 | -174.1 | 147.7 | 0 | 0 | 106.7 | E265 D269 | E265-E267 PolarHBondContact O-N 3.38Å; E267-D269 PolarHBondContact O-N 3.48Å | ||
| 268 | D | 55.7 | Low | 61.1 | Low | 151 Ų | 151 | 173 Ų | 173 | 81% | 0.807 | 85% | 0.846 | S | S | * | * | trans | -63.5 | 120.9 | 165.3 | -84.7 | -46.5 | 0 | 0 | 0 | 108.4 | K266 K270 | K266-D268 PolarHBondContact O-N 3.09Å; D268-K270 PolarHBondContact O-N 3.24Å; D268-K270 VanDerWaalsContact O-N 3.15Å | ||
| 269 | D | 65.4 | Low | 59.7 | Low | 161 Ų | 161 | 169.1 Ų | 169.1 | 86% | 0.861 | 85% | 0.846 | S | S | * | * | trans | -37.2 | 112.7 | 166.8 | -80.2 | -57 | 0 | 0 | 0 | 112.8 | E267 | E267-D269 PolarHBondContact O-N 3.48Š| ||
| 270 | K | 64.1 | Low | 58.3 | Low | 203 Ų | 203 | 170.3 Ų | 170.3 | 88% | 0.883 | 86% | 0.856 | S | S | * | * | trans | -166 | 104.5 | 145.9 | -123.3 | 140.7 | -178.2 | 160.9 | 0 | 112.7 | D268 | D268-K270 PolarHBondContact O-N 3.24Å; D268-K270 VanDerWaalsContact O-N 3.15Å | ||
| 271 | N | 46.8 | Very low | 57.5 | Low | 231 Ų | 231 | 175.8 Ų | 175.8 | 100% | 1.235 | 87% | 0.865 | S | S | * | * | 169.8 | 0 | 102.4 | -179.8 | 89 | 0 | 0 | 0 | 111.7 |
Retrieved 271 of 271 residues in 538.9 ms
(Link to these results)