| 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 | 44.5 | Very low | 44.5 | Very low | 225 Ų | 225 | 147.3 Ų | 147.3 | 100% | 1.108 | 79% | 0.794 | S | S | * | * | 0 | 83.9 | 0 | -53.8 | -170.5 | 88.7 | 0 | 0 | 106.2 | |||||
| 2 | T | 40.1 | Very low | 44.1 | Very low | 123 Ų | 123 | 142.1 Ų | 142.1 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | 66.1 | 131 | 98.2 | 54.3 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 3 | L | 42.1 | Very low | 44 | Very low | 148 Ų | 148 | 144 Ų | 144 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | cis | -171.7 | 126.2 | 6.4 | -95.1 | 157.2 | 0 | 0 | 0 | 103.6 | ||||
| 4 | S | 48.8 | Very low | 43.4 | Very low | 84 Ų | 84 | 141.1 Ų | 141.1 | 59% | 0.587 | 79% | 0.786 | S | S | * | * | 42.8 | 127.9 | 104.2 | 63.2 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 5 | L | 47.1 | Very low | 42.9 | Very low | 153 Ų | 153 | 147.6 Ų | 147.6 | 80% | 0.801 | 79% | 0.794 | S | S | * | * | 172.3 | 114.8 | 124.3 | -106.8 | 118.4 | 0 | 0 | 0 | 109.2 | |||||
| 6 | L | 45.6 | Very low | 42.3 | Very low | 164 Ų | 164 | 144.5 Ų | 144.5 | 86% | 0.859 | 79% | 0.787 | S | S | * | * | 52.8 | 128.2 | 80.5 | -75.5 | 153.6 | 0 | 0 | 0 | 111.8 | |||||
| 7 | G | 41.9 | Very low | 42.1 | Very low | 57 Ų | 57 | 145.2 Ų | 145.2 | 59% | 0.588 | 79% | 0.789 | S | S | * | * | cis | 146.9 | -178.2 | 22.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 8 | L | 43.3 | Very low | 42.1 | Very low | 164 Ų | 164 | 144.2 Ų | 144.2 | 86% | 0.859 | 79% | 0.788 | S | S | * | * | trans | 87.1 | 136.5 | 175.2 | -67.2 | 96.5 | 0 | 0 | 0 | 116.8 | ||||
| 9 | M | 38.1 | Very low | 43 | Very low | 162 Ų | 162 | 142.4 Ų | 142.4 | 80% | 0.798 | 78% | 0.784 | S | S | * | * | cis | -168.4 | 146.5 | -6.5 | -107.5 | -70.2 | 98.8 | 0 | 0 | 108 | ||||
| 10 | R | 45.2 | Very low | 42.6 | Very low | 223 Ų | 223 | 144.3 Ų | 144.3 | 84% | 0.842 | 79% | 0.789 | S | S | * | * | trans | -63.8 | 176.2 | 161.3 | -79.4 | 179.8 | 176.7 | -179.5 | -0.5 | 110.1 | ||||
| 11 | P | 52.6 | Low | 42.4 | Very low | 117 Ų | 117 | 143.2 Ų | 143.2 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | cis | -159.1 | 176.3 | 36.8 | 42 | -17.4 | 0 | 0 | 0 | 120.4 | ||||
| 12 | A | 40.2 | Very low | 41.8 | Very low | 85 Ų | 85 | 143.6 Ų | 143.6 | 70% | 0.702 | 78% | 0.776 | S | S | * | * | trans | 53.3 | 130.1 | 137.1 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 13 | L | 43 | Very low | 41.8 | Very low | 167 Ų | 167 | 142.8 Ų | 142.8 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | -176.8 | 103 | 118.1 | -90.4 | 164.7 | 0 | 0 | 0 | 107 | |||||
| 14 | C | 35.6 | Very low | 42.1 | Very low | 104 Ų | 104 | 141.5 Ų | 141.5 | 70% | 0.703 | 78% | 0.776 | S | S | * | * | 72.9 | 116.9 | 89.6 | -85.6 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 15 | R | 36 | Very low | 41.5 | Very low | 238 Ų | 238 | 146 Ų | 146 | 90% | 0.898 | 79% | 0.787 | S | S | * | * | trans | 66.5 | 142.8 | 139 | -81.3 | 175.1 | 166.1 | -149.6 | -2.4 | 118.1 | ||||
| 16 | S | 32.7 | Very low | 41 | Very low | 98 Ų | 98 | 147.3 Ų | 147.3 | 69% | 0.685 | 79% | 0.794 | S | S | * | * | cis | -163.4 | 146.7 | 26.5 | 53.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 17 | L | 38.5 | Very low | 40.5 | Very low | 157 Ų | 157 | 145.2 Ų | 145.2 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | 49.5 | 141.1 | 111.9 | -57 | 166.1 | 0 | 0 | 0 | 115.7 | |||||
| 18 | V | 43.1 | Very low | 40.5 | Very low | 126 Ų | 126 | 148.6 Ų | 148.6 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | cis | -177.9 | 168.3 | 4.6 | 134.5 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 19 | P | 58 | Low | 40.1 | Very low | 111 Ų | 111 | 148.4 Ų | 148.4 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | trans | -101.8 | 161.5 | -165.8 | 35.6 | -23.3 | 0 | 0 | 0 | 115.3 | ||||
| 20 | M | 35.1 | Very low | 39.8 | Very low | 179 Ų | 179 | 145.2 Ų | 145.2 | 88% | 0.882 | 79% | 0.789 | S | S | * | * | trans | -158.7 | 123.5 | 160.2 | -83.4 | -160.2 | 105.5 | 0 | 0 | 108.1 | ||||
| 21 | V | 39.1 | Very low | 39.7 | Very low | 122 Ų | 122 | 145.6 Ų | 145.6 | 74% | 0.739 | 79% | 0.79 | S | S | * | * | 69.9 | 125.3 | 60.8 | -176.4 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 22 | R | 32.5 | Very low | 39.1 | Very low | 234 Ų | 234 | 146.8 Ų | 146.8 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | 93.6 | 117.3 | 151 | -106.4 | -179.3 | 171.3 | 170 | -3.5 | 121.1 | ||||
| 23 | S | 39.8 | Very low | 39.2 | Very low | 105 Ų | 105 | 151 Ų | 151 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | trans | -52.8 | 160.7 | 138.8 | -25.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 24 | P | 47 | Very low | 38.9 | Very low | 122 Ų | 122 | 150.3 Ų | 150.3 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | -156.3 | -177 | 81 | 38.3 | -15.8 | 0 | 0 | 0 | 116.9 | |||||
| 25 | Q | 36.6 | Very low | 39 | Very low | 178 Ų | 178 | 152.7 Ų | 152.7 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | trans | -48.7 | 156.2 | 177 | -62.7 | 163.7 | -23.3 | 0 | 0 | 116.5 | ||||
| 26 | L | 37.3 | Very low | 39.1 | Very low | 180 Ų | 180 | 148.9 Ų | 148.9 | 94% | 0.942 | 80% | 0.798 | S | S | * | * | trans | -111.6 | 130.1 | 165.6 | -96.8 | 160.9 | 0 | 0 | 0 | 111.1 | ||||
| 27 | V | 34 | Very low | 40 | Very low | 120 Ų | 120 | 148.9 Ų | 148.9 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -106.8 | 140.5 | -179.1 | 169.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 28 | V | 41.8 | Very low | 39.9 | Very low | 128 Ų | 128 | 148 Ų | 148 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | -15.9 | 133.9 | 156 | -175.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 29 | I | 35.3 | Very low | 39.7 | Very low | 161 Ų | 161 | 148 Ų | 148 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | trans | -152.5 | 109.6 | 147.9 | -57.6 | -174.2 | 0 | 0 | 0 | 107.3 | ||||
| 30 | S | 32.2 | Very low | 38.5 | Very low | 94 Ų | 94 | 152.6 Ų | 152.6 | 66% | 0.657 | 80% | 0.795 | S | S | * | * | 73.4 | 110.9 | 86.2 | -161 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 31 | R | 43.7 | Very low | 38.5 | Very low | 231 Ų | 231 | 152 Ų | 152 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | trans | 25.2 | 129.3 | 143.4 | -65.2 | -173.9 | 170.3 | -172.2 | -2.8 | 121.1 | ||||
| 32 | V | 38.7 | Very low | 38.4 | Very low | 142 Ų | 142 | 153.5 Ų | 153.5 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | trans | -143 | 137.9 | 137.6 | -179.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 33 | Q | 43.1 | Very low | 38.9 | Very low | 175 Ų | 175 | 149 Ų | 149 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -128.8 | 132.1 | -177 | 171.8 | 161.3 | -17.3 | 0 | 0 | 109.8 | ||||
| 34 | L | 36.7 | Very low | 39 | Very low | 151 Ų | 151 | 153 Ų | 153 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | -151.9 | 111.5 | 164.5 | -72.9 | 176.9 | 0 | 0 | 0 | 107.2 | ||||
| 35 | L | 38 | Very low | 39.1 | Very low | 154 Ų | 154 | 153.3 Ų | 153.3 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | 87.8 | 109.9 | 89.7 | -96.8 | 157.6 | 0 | 0 | 0 | 114.8 | |||||
| 36 | L | 37.5 | Very low | 40 | Very low | 158 Ų | 158 | 150.2 Ų | 150.2 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | trans | -35.5 | -177.3 | 167.9 | -79.5 | 153.5 | 0 | 0 | 0 | 119.6 | ||||
| 37 | P | 51.8 | Low | 40.5 | Very low | 98 Ų | 98 | 147.5 Ų | 147.5 | 64% | 0.636 | 78% | 0.779 | S | S | * | * | cis | -141 | 176.2 | -3.8 | 25.2 | 0.3 | 0 | 0 | 0 | 118.3 | ||||
| 38 | N | 37.4 | Very low | 41.3 | Very low | 140 Ų | 140 | 146.2 Ų | 146.2 | 75% | 0.749 | 78% | 0.782 | S | S | * | * | trans | 65.1 | 144.5 | 143.8 | -81 | 0.1 | 0 | 0 | 0 | 120.7 | ||||
| 39 | I | 37.4 | Very low | 41.7 | Very low | 126 Ų | 126 | 145 Ų | 145 | 65% | 0.646 | 79% | 0.785 | S | S | * | * | cis | -162.3 | 140.4 | -1.9 | -91.5 | 150.6 | 0 | 0 | 0 | 103.2 | ||||
| 40 | F | 32.9 | Very low | 42.4 | Very low | 206 Ų | 206 | 142.1 Ų | 142.1 | 90% | 0.904 | 78% | 0.779 | S | S | * | * | trans | -171.2 | 143.2 | 132.4 | -117.2 | -88.7 | 0 | 0 | 0 | 111.3 | ||||
| 41 | H | 35.8 | Very low | 42.7 | Very low | 166 Ų | 166 | 143.3 Ų | 143.3 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -80.1 | 135.7 | -165.9 | -148.5 | 49.3 | 0 | 0 | 0 | 111.2 | ||||
| 42 | Q | 37.3 | Very low | 43 | Very low | 155 Ų | 155 | 137 Ų | 137 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | 156.2 | 142.5 | 121.4 | -87 | -172.6 | 9 | 0 | 0 | 114.1 | |||||
| 43 | N | 42.1 | Very low | 43.8 | Very low | 138 Ų | 138 | 139.8 Ų | 139.8 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | trans | 86.9 | 89.2 | 155.5 | -60.7 | -12.6 | 0 | 0 | 0 | 118.6 | V45 | N43-V45 PolarHBondContact O-N 3.25Š| ||
| 44 | M | 41.6 | Very low | 43.9 | Very low | 191 Ų | 191 | 140.5 Ų | 140.5 | 94% | 0.941 | 77% | 0.769 | S | S | * | * | trans | -52.1 | 117.6 | 155.7 | -65.7 | -86.6 | -176.2 | 0 | 0 | 111.4 | ||||
| 45 | V | 50.7 | Low | 44.7 | Very low | 127 Ų | 127 | 143 Ų | 143 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | trans | -125.4 | 117.4 | 152.3 | 179.8 | 0 | 0 | 0 | 0 | 105.9 | N43 | N43-V45 PolarHBondContact O-N 3.25Š| ||
| 46 | P | 54.3 | Low | 45.6 | Very low | 113 Ų | 113 | 140.3 Ų | 140.3 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 131.2 | 177.4 | 27.5 | -31.1 | 0 | 0 | 0 | 109.2 | A48 | P46-A48 PolarHBondContact O-N 3.19Š|
| 47 | P | 49.1 | Very low | 46.4 | Very low | 123 Ų | 123 | 139 Ų | 139 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 131 | 168.6 | 27.1 | -30.8 | 0 | 0 | 0 | 108.4 | A49 | P47-A49 PolarHBondContact O-N 2.86Å; P47-A49 VanDerWaalsContact O-N 3.15Å |
| 48 | A | 49.2 | Very low | 46.2 | Very low | 94 Ų | 94 | 144 Ų | 144 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 122.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | P46 S50 | P46-A48 PolarHBondContact O-N 3.19Å; A48-S50 VanDerWaalsContact C-N 3.32Å; A48-S50 PolarHBondContact O-N 3.22Å |
| 49 | A | 51.6 | Low | 46.5 | Very low | 103 Ų | 103 | 146.7 Ų | 146.7 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | trans | -62.6 | 95.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | P47 C51 | P47-A49 PolarHBondContact O-N 2.86Å; P47-A49 VanDerWaalsContact O-N 3.15Å; A49-C51 PolarHBondContact O-N 3.05Å; A49-C51 VanDerWaalsContact O-N 3.13Å | ||
| 50 | S | 50 | Low | 46.7 | Very low | 100 Ų | 100 | 145.9 Ų | 145.9 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | trans | -69.6 | 107.2 | 164.8 | 49.5 | 0 | 0 | 0 | 0 | 107.1 | A48 V52 | A48-S50 VanDerWaalsContact C-N 3.32Å; A48-S50 PolarHBondContact O-N 3.22Å; S50-V52 PolarHBondContact O-N 3.21Å | ||
| 51 | C | 38.4 | Very low | 47.1 | Very low | 119 Ų | 119 | 145.5 Ų | 145.5 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -67.9 | 90.1 | 168 | -177 | 0 | 0 | 0 | 0 | 107.7 | A49 R53 | A49-C51 PolarHBondContact O-N 3.05Å; A49-C51 VanDerWaalsContact O-N 3.13Å; C51-R53 PolarHBondContact O-N 2.92Å; C51-R53 VanDerWaalsContact O-N 3.07Å | ||
| 52 | V | 50.6 | Low | 47.4 | Very low | 97 Ų | 97 | 141.7 Ų | 141.7 | 59% | 0.588 | 79% | 0.785 | S | S | * | * | trans | -70 | 103.8 | 170.6 | -178.7 | 0 | 0 | 0 | 0 | 106.9 | S50 F54 | S50-V52 PolarHBondContact O-N 3.21Å; V52-F54 PolarHBondContact O-N 2.91Å | ||
| 53 | R | 55 | Low | 47.4 | Very low | 201 Ų | 201 | 144.2 Ų | 144.2 | 76% | 0.758 | 79% | 0.794 | S | S | * | * | trans | -62.6 | 105.7 | 164.8 | -79.7 | -178.3 | 178.6 | 164.7 | -0.1 | 107.9 | C51 Y55 | C51-R53 PolarHBondContact O-N 2.92Å; C51-R53 VanDerWaalsContact O-N 3.07Å; R53-Y55 PolarHBondContact O-N 3.44Å | ||
| 54 | F | 44.8 | Very low | 47.1 | Very low | 191 Ų | 191 | 141.7 Ų | 141.7 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | trans | -65.1 | 100.5 | 165.3 | -70.6 | -83 | 0 | 0 | 0 | 108.3 | V52 A56 | V52-F54 PolarHBondContact O-N 2.91Å; F54-A56 PolarHBondContact O-N 3.48Å | ||
| 55 | Y | 52.8 | Low | 47.1 | Very low | 203 Ų | 203 | 137 Ų | 137 | 80% | 0.796 | 78% | 0.784 | S | S | * | * | trans | -63.3 | 120.5 | 165.5 | -82.8 | -87.1 | 0 | 0 | 0 | 107.9 | R53 T57 | R53-Y55 PolarHBondContact O-N 3.44Å; Y55-T57 PolarHBondContact O-N 2.94Å | ||
| 56 | A | 56.9 | Low | 46.4 | Very low | 97 Ų | 97 | 140.8 Ų | 140.8 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | trans | -55.9 | 111.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | F54 K58 | F54-A56 PolarHBondContact O-N 3.48Å; A56-K58 PolarHBondContact O-N 3.45Å; A56-K58 VanDerWaalsContact O-N 3.08Å | ||
| 57 | T | 54.3 | Low | 45.7 | Very low | 132 Ų | 132 | 138.4 Ų | 138.4 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | trans | -62.1 | 114.6 | 166.3 | 54.8 | 0 | 0 | 0 | 0 | 106.5 | Y55 K59 | Y55-T57 PolarHBondContact O-N 2.94Å; T57-K59 PolarHBondContact O-N 3.35Å | ||
| 58 | K | 49 | Very low | 45.5 | Very low | 203 Ų | 203 | 141.8 Ų | 141.8 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | trans | -50.9 | 117.6 | 169.3 | -73.5 | -176.6 | 179.3 | 179.2 | 0 | 106.8 | A56 S60 | A56-K58 PolarHBondContact O-N 3.45Å; A56-K58 VanDerWaalsContact O-N 3.08Å; K58-S60 PolarHBondContact O-N 3.16Å | ||
| 59 | K | 42.8 | Very low | 45.5 | Very low | 196 Ų | 196 | 140.9 Ų | 140.9 | 85% | 0.852 | 78% | 0.783 | S | S | * | * | trans | -43.1 | 110.3 | 165.8 | -176.6 | 170.8 | -176 | 172.1 | 0 | 106.4 | T57 K61 | T57-K59 PolarHBondContact O-N 3.35Å; K59-K61 PolarHBondContact O-N 3.24Å | ||
| 60 | S | 42.5 | Very low | 45.8 | Very low | 108 Ų | 108 | 140.6 Ų | 140.6 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | trans | -59.9 | 100.1 | 170.3 | 51.7 | 0 | 0 | 0 | 0 | 105.2 | K58 A62 | K58-S60 PolarHBondContact O-N 3.16Å; S60-A62 PolarHBondContact O-N 3.4Å | ||
| 61 | K | 40.7 | Very low | 46.2 | Very low | 199 Ų | 199 | 144.9 Ų | 144.9 | 87% | 0.865 | 78% | 0.781 | S | S | * | * | trans | -54.3 | 106.2 | 159.2 | -103.9 | 179.1 | 174.4 | 176.1 | 0 | 103.5 | K59 K63 | K59-K61 PolarHBondContact O-N 3.24Å; K61-K63 PolarHBondContact O-N 3.27Å | ||
| 62 | A | 42.7 | Very low | 47.4 | Very low | 85 Ų | 85 | 140.7 Ų | 140.7 | 70% | 0.702 | 75% | 0.752 | S | S | * | * | trans | -41.2 | 130.3 | 157.6 | 0 | 0 | 0 | 0 | 0 | 105.7 | S60 A64 | S60-A62 PolarHBondContact O-N 3.4Å; A62-A64 PolarHBondContact O-N 3.05Å | ||
| 63 | K | 36.7 | Very low | 47.9 | Very low | 209 Ų | 209 | 143.6 Ų | 143.6 | 91% | 0.909 | 76% | 0.764 | S | S | * | * | trans | -57.5 | 85.5 | -179.4 | -165.4 | 177.2 | -173.1 | 178.7 | 0 | 107 | K61 A65 | K61-K63 PolarHBondContact O-N 3.27Å; K63-A65 PolarHBondContact O-N 3.49Å; K63-A65 VanDerWaalsContact O-N 3.08Å | ||
| 64 | A | 35 | Very low | 48.4 | Very low | 84 Ų | 84 | 135.5 Ų | 135.5 | 69% | 0.694 | 74% | 0.736 | S | S | * | * | trans | -52.7 | 120.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 103.7 | A62 K66 | A62-A64 PolarHBondContact O-N 3.05Å; A64-K66 PolarHBondContact O-N 3.03Å | ||
| 65 | A | 42.8 | Very low | 49.5 | Very low | 93 Ų | 93 | 131.8 Ų | 131.8 | 77% | 0.769 | 72% | 0.724 | S | S | * | * | trans | -41.3 | 114.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 106.4 | K63 G67 | K63-A65 PolarHBondContact O-N 3.49Å; K63-A65 VanDerWaalsContact O-N 3.08Å; A65-G67 VanDerWaalsContact C-N 3.31Å; A65-G67 PolarHBondContact O-N 3.02Å | ||
| 66 | K | 35.3 | Very low | 50.1 | Low | 207 Ų | 207 | 125.7 Ų | 125.7 | 90% | 0.9 | 71% | 0.711 | S | S | * | * | trans | -56.3 | 104.1 | -177.4 | -166.3 | 177.9 | -176.1 | -175.6 | 0 | 104.6 | A64 Q68 | A64-K66 PolarHBondContact O-N 3.03Å; K66-Q68 PolarHBondContact O-N 3.01Å | ||
| 67 | G | 40.3 | Very low | 50.4 | Low | 63 Ų | 63 | 124.5 Ų | 124.5 | 65% | 0.649 | 70% | 0.697 | S | S | * | * | trans | -51 | 130.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | A65 A69 | A65-G67 VanDerWaalsContact C-N 3.31Å; A65-G67 PolarHBondContact O-N 3.02Å; G67-A69 PolarHBondContact O-N 3.27Å | ||
| 68 | Q | 44 | Very low | 50.9 | Low | 193 Ų | 193 | 123.1 Ų | 123.1 | 90% | 0.902 | 68% | 0.684 | S | S | * | * | trans | -48.7 | 112.8 | 156.8 | -86.7 | 170.6 | -24.7 | 0 | 0 | 105.5 | K66 S70 | K66-Q68 PolarHBondContact O-N 3.01Å; Q68-S70 PolarHBondContact O-N 3.34Å | ||
| 69 | A | 50.6 | Low | 51.6 | Low | 75 Ų | 75 | 113.5 Ų | 113.5 | 62% | 0.62 | 64% | 0.642 | S | S | * | * | trans | -51.7 | 122.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 105.4 | G67 K71 | G67-A69 PolarHBondContact O-N 3.27Å; A69-K71 PolarHBondContact O-N 3Å | ||
| 70 | S | 57.3 | Low | 52.6 | Low | 98 Ų | 98 | 109.8 Ų | 109.8 | 69% | 0.685 | 63% | 0.628 | S | S | * | * | trans | -45.5 | 118.2 | 176.6 | 46.5 | 0 | 0 | 0 | 0 | 107.7 | Q68 V72 Q240 | Q68-S70 PolarHBondContact O-N 3.34Å; S70-V72 PolarHBondContact O-N 2.77Å; S70-Q240 PolarHBondContact O-NE2 3.21Å | ||
| 71 | K | 57.5 | Low | 53.7 | Low | 190 Ų | 190 | 112 Ų | 112 | 83% | 0.826 | 63% | 0.631 | S | S | * | * | trans | -50.7 | 112.1 | 176.7 | -177.6 | 178.9 | 179.9 | -177.1 | 0 | 106.1 | A69 N73 | A69-K71 PolarHBondContact O-N 3Å; K71-N73 PolarHBondContact O-N 2.63Å | ||
| 72 | V | 64 | Low | 55 | Low | 30 Ų | 30 | 103.8 Ų | 103.8 | 18% | 0.182 | 60% | 0.597 | C | S | . | * | trans | -69.4 | 101.3 | -173.8 | 168.6 | 0 | 0 | 0 | 0 | 106 | S70 I74 | S70-V72 PolarHBondContact O-N 2.77Å; V72-I74 HydrophobicContact CG1-CD1 3.27Å; V72-I74 HydrophobicContact CG1-CG1 3.45Å; V72-I74 VanDerWaalsContact CG1-CG1 3.45Å; V72-I74 PolarHBondContact O-N 3.25Å | ||
| 73 | N | 60.3 | Low | 56.5 | Low | 158 Ų | 158 | 100.2 Ų | 100.2 | 85% | 0.845 | 57% | 0.566 | S | S | * | * | trans | -92.6 | 95.4 | 178.5 | -161.7 | 3.8 | 0 | 0 | 0 | 106.7 | K71 | K71-N73 PolarHBondContact O-N 2.63Š| ||
| 74 | I | 67.3 | Low | 58.7 | Low | 32 Ų | 32 | 93.2 Ų | 93.2 | 16% | 0.164 | 54% | 0.543 | C | S | . | . | trans | -102.7 | 144 | 176.9 | -61.2 | 156.4 | 0 | 0 | 0 | 107.7 | V72 S76 V79 L233 Q237 | V72-I74 HydrophobicContact CG1-CD1 3.27Å; V72-I74 HydrophobicContact CG1-CG1 3.45Å; V72-I74 VanDerWaalsContact CG1-CG1 3.45Å; V72-I74 PolarHBondContact O-N 3.25Å; I74-S76 PolarHBondContact O-N 2.93Å; I74-V79 HydrophobicContact CB-CG2 4.41Å; I74-V79 HydrophobicContact CG2-CG2 3.61Å; I74-L233 HydrophobicContact CD1-CB 3.69Å; I74-L233 HydrophobicContact CG1-CB 4.41Å; I74-Q237 HydrophobicContact CD1-CB 4.29Å | ||
| 75 | N | 66.4 | Low | 61.1 | Low | 113 Ų | 113 | 90 Ų | 90 | 60% | 0.604 | 51% | 0.514 | S | S | * | . | trans | -58.8 | 117.8 | 172.4 | -60.8 | -39.4 | 0 | 0 | 0 | 109.5 | S77 L78 | N75-S77 PolarHBondContact O-N 3Å; N75-L78 PolarHBondContact O-N 3.19Å | ||
| 76 | S | 66 | Low | 63.2 | Low | 74 Ų | 74 | 91 Ų | 91 | 52% | 0.517 | 50% | 0.503 | S | S | . | . | G | 310 helix | trans | -56.8 | -35.1 | -175.6 | 74.3 | 0 | 0 | 0 | 0 | 112.4 | I74 L78 V79 E80 | I74-S76 PolarHBondContact O-N 2.93Å; S76-L78 VanDerWaalsContact C-N 3.28Å; S76-L78 PolarHBondContact O-N 2.91Å; S76-V79 PolarHBondContact O-N 3.07Å; S76-E80 VanDerWaalsContact CB-OE1 3.22Å; S76-E80 WeakPolarHBondContact CB-OE1 3.4Å; S76-E80 WeakPolarHBondContact O-CG 3.33Å; S76-E80 PolarHBondContact O-N 3.26Å; S76-E80 PolarHBondContact OG-OE1 3.36Å |
| 77 | S | 63.8 | Low | 65.8 | Low | 72 Ų | 72 | 86.2 Ų | 86.2 | 50% | 0.503 | 48% | 0.484 | S | S | . | . | G | 310 helix | trans | -61.3 | -27.9 | -177.3 | 60.6 | 0 | 0 | 0 | 0 | 114.9 | N75 | N75-S77 PolarHBondContact O-N 3Š|
| 78 | L | 63.5 | Low | 68.2 | Low | 103 Ų | 103 | 83.6 Ų | 83.6 | 54% | 0.539 | 46% | 0.455 | S | S | . | . | G | 310 helix | trans | -85.9 | -14.8 | 177.4 | -68.4 | 172.8 | 0 | 0 | 0 | 112.7 | N75 S76 I82 | N75-L78 PolarHBondContact O-N 3.19Å; S76-L78 VanDerWaalsContact C-N 3.28Å; S76-L78 PolarHBondContact O-N 2.91Å; L78-I82 WeakPolarHBondContact O-CD1 3.39Å |
| 79 | V | 63.8 | Low | 70.5 | Confident | 1 Ų | 1 | 77.7 Ų | 77.7 | 1% | 0.006 | 43% | 0.427 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -32.7 | -176.1 | -170.6 | 0 | 0 | 0 | 0 | 111.2 | I74 S76 D81 I82 I83 L85 V234 | I74-V79 HydrophobicContact CB-CG2 4.41Å; I74-V79 HydrophobicContact CG2-CG2 3.61Å; S76-V79 PolarHBondContact O-N 3.07Å; V79-D81 VanDerWaalsContact C-N 3.26Å; V79-D81 PolarHBondContact O-N 3.02Å; V79-I82 PolarHBondContact O-N 2.9Å; V79-I83 PolarHBondContact O-N 3.37Å; V79-L85 HydrophobicContact CB-CD1 4.08Å; V79-L85 HydrophobicContact CG1-CD1 3.55Å; V79-L85 HydrophobicContact CG1-CD2 4.11Å; V79-L85 HydrophobicContact CG1-CG 3.63Å; V79-V234 HydrophobicContact CB-CG2 4.44Å; V79-V234 HydrophobicContact CG1-CG1 4.12Å; V79-V234 HydrophobicContact CG1-CG2 3.7Å; V79-V234 HydrophobicContact CG2-CG2 4.03Å |
| 80 | E | 65.5 | Low | 72.6 | Confident | 119 Ų | 119 | 80.6 Ų | 80.6 | 56% | 0.556 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -36.8 | 178.4 | -75.9 | 162.9 | -146.2 | 0 | 0 | 112.9 | S76 I82 | S76-E80 VanDerWaalsContact CB-OE1 3.22Å; S76-E80 WeakPolarHBondContact CB-OE1 3.4Å; S76-E80 WeakPolarHBondContact O-CG 3.33Å; S76-E80 PolarHBondContact O-N 3.26Å; S76-E80 PolarHBondContact OG-OE1 3.36Å; E80-I82 VanDerWaalsContact C-N 3.26Å; E80-I82 PolarHBondContact O-N 3.22Å |
| 81 | D | 63.7 | Low | 74.4 | Confident | 153 Ų | 153 | 79.6 Ų | 79.6 | 82% | 0.818 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -18.7 | 178.5 | -70.7 | -16.2 | 0 | 0 | 0 | 113.9 | V79 | V79-D81 VanDerWaalsContact C-N 3.26Å; V79-D81 PolarHBondContact O-N 3.02Å |
| 82 | I | 68.8 | Low | 76.1 | Confident | 27 Ų | 27 | 70.5 Ų | 70.5 | 14% | 0.138 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | -47.6 | -174 | -50.2 | 176 | 0 | 0 | 0 | 110.2 | L78 V79 E80 A222 V226 T230 | L78-I82 WeakPolarHBondContact O-CD1 3.39Å; V79-I82 PolarHBondContact O-N 2.9Å; E80-I82 VanDerWaalsContact C-N 3.26Å; E80-I82 PolarHBondContact O-N 3.22Å; I82-A222 HydrophobicContact CG2-CB 3.77Å; I82-V226 HydrophobicContact CD1-CB 4.32Å; I82-V226 HydrophobicContact CD1-CG1 3.65Å; I82-V226 HydrophobicContact CD1-CG2 3.89Å; I82-V226 HydrophobicContact CG1-CG2 3.92Å; I82-T230 HydrophobicContact CD1-CG2 3.87Å |
| 83 | I | 75 | Confident | 77.6 | Confident | 10 Ų | 10 | 71 Ų | 71 | 5% | 0.051 | 38% | 0.382 | C | S | . | . | trans | -154.6 | 137.9 | 179.4 | -96.5 | 147.2 | 0 | 0 | 0 | 109.5 | V79 L85 A215 Q218 V219 | V79-I83 PolarHBondContact O-N 3.37Å; I83-L85 HydrophobicContact CG2-CD2 4.39Å; I83-L85 PolarHBondContact O-N 3.14Å; I83-A215 WeakPolarHBondContact CD1-O 3.32Å; I83-Q218 HydrophobicContact CD1-CB 3.65Å; I83-Q218 HydrophobicContact CG1-CB 3.98Å; I83-V219 HydrophobicContact CD1-CB 3.91Å; I83-V219 HydrophobicContact CD1-CG2 3.15Å | ||
| 84 | S | 83 | Confident | 79.4 | Confident | 63 Ų | 63 | 65.8 Ų | 65.8 | 44% | 0.441 | 36% | 0.361 | S | S | . | . | trans | -66.7 | 93.4 | 165.4 | -57 | 0 | 0 | 0 | 0 | 110.5 | E86 E87 T88 | S84-E86 PolarHBondContact O-N 2.67Å; S84-E87 PolarHBondContact O-N 2.67Å; S84-T88 PolarHBondContact O-N 2.9Å; S84-T88 PolarHBondContact O-OG1 3.34Å | ||
| 85 | L | 84.2 | Confident | 80.7 | Confident | 16 Ų | 16 | 65 Ų | 65 | 8% | 0.084 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.1 | -32 | 173.9 | -72.6 | 178 | 0 | 0 | 0 | 112.3 | V79 I83 T88 K89 Q237 V238 | V79-L85 HydrophobicContact CB-CD1 4.08Å; V79-L85 HydrophobicContact CG1-CD1 3.55Å; V79-L85 HydrophobicContact CG1-CD2 4.11Å; V79-L85 HydrophobicContact CG1-CG 3.63Å; I83-L85 HydrophobicContact CG2-CD2 4.39Å; I83-L85 PolarHBondContact O-N 3.14Å; L85-T88 PolarHBondContact O-N 3.3Å; L85-K89 VanDerWaalsContact O-CG 3.31Å; L85-K89 WeakPolarHBondContact O-CG 3.48Å; L85-K89 PolarHBondContact O-N 3.06Å; L85-Q237 VanDerWaalsContact CD1-NE2 3.29Å; L85-V238 HydrophobicContact CD2-CG2 4.19Å |
| 86 | E | 87.2 | Confident | 82.1 | Confident | 113 Ų | 113 | 60.4 Ų | 60.4 | 53% | 0.528 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.4 | -44.9 | 177.1 | -61.1 | -50.2 | 133.6 | 0 | 0 | 111.6 | S84 T88 K89 E90 | S84-E86 PolarHBondContact O-N 2.67Å; E86-T88 VanDerWaalsContact C-N 3.32Å; E86-T88 PolarHBondContact O-N 3.34Å; E86-K89 WeakPolarHBondContact O-CA 3.22Å; E86-K89 WeakPolarHBondContact O-CB 3.34Å; E86-K89 PolarHBondContact O-N 3.42Å; E86-K89 IonicContact OE1-NZ 2.67Å; E86-K89 PolarHBondContact OE1-NZ 3.47Å; E86-K89 IonicContact OE2-NZ 3.42Å; E86-K89 PolarHBondContact OE2-NZ 2.95Å; E86-E90 WeakPolarHBondContact O-CG 3.45Å; E86-E90 PolarHBondContact O-N 3.29Å |
| 87 | E | 89.6 | Confident | 83.5 | Confident | 107 Ų | 107 | 60.3 Ų | 60.3 | 50% | 0.5 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -58.6 | -44.1 | 174.5 | -174.5 | -177.7 | 177.7 | 0 | 0 | 111.3 | S84 K89 E90 D91 | S84-E87 PolarHBondContact O-N 2.67Å; E87-K89 VanDerWaalsContact C-N 3.28Å; E87-K89 PolarHBondContact O-N 3.31Å; E87-E90 PolarHBondContact O-N 3.12Å; E87-E90 VanDerWaalsContact O-N 3.15Å; E87-D91 PolarHBondContact O-N 2.9Å |
| 88 | T | 91 | Very high | 85.1 | Confident | 8 Ų | 8 | 60.3 Ų | 60.3 | 5% | 0.049 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.7 | -35.8 | 176.6 | -56.6 | 0 | 0 | 0 | 0 | 112 | S84 L85 E86 M92 V211 A215 M241 | S84-T88 PolarHBondContact O-N 2.9Å; S84-T88 PolarHBondContact O-OG1 3.34Å; L85-T88 PolarHBondContact O-N 3.3Å; E86-T88 VanDerWaalsContact C-N 3.32Å; E86-T88 PolarHBondContact O-N 3.34Å; T88-M92 HydrophobicContact CG2-CE 3.84Å; T88-M92 VanDerWaalsContact O-CG 3.28Å; T88-M92 WeakPolarHBondContact O-CG 3.46Å; T88-M92 PolarHBondContact O-N 3.23Å; T88-M92 VanDerWaalsContact O-N 3.09Å; T88-V211 HydrophobicContact CG2-CG1 4.31Å; T88-A215 HydrophobicContact CG2-CB 4.07Å; T88-M241 HydrophobicContact CG2-CE 4.29Å |
| 89 | K | 92.1 | Very high | 86.6 | Confident | 70 Ų | 70 | 55.6 Ų | 55.6 | 30% | 0.304 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68.3 | -41.9 | 174.3 | -72.4 | 170.1 | -168.3 | 165.6 | 0 | 111.3 | L85 E86 E87 M92 A93 M241 | L85-K89 VanDerWaalsContact O-CG 3.31Å; L85-K89 WeakPolarHBondContact O-CG 3.48Å; L85-K89 PolarHBondContact O-N 3.06Å; E86-K89 WeakPolarHBondContact O-CA 3.22Å; E86-K89 WeakPolarHBondContact O-CB 3.34Å; E86-K89 PolarHBondContact O-N 3.42Å; E86-K89 IonicContact OE1-NZ 2.67Å; E86-K89 PolarHBondContact OE1-NZ 3.47Å; E86-K89 IonicContact OE2-NZ 3.42Å; E86-K89 PolarHBondContact OE2-NZ 2.95Å; E87-K89 VanDerWaalsContact C-N 3.28Å; E87-K89 PolarHBondContact O-N 3.31Å; K89-M92 PolarHBondContact O-N 3.02Å; K89-A93 VanDerWaalsContact O-CB 3.31Å; K89-A93 WeakPolarHBondContact O-CB 3.35Å; K89-A93 PolarHBondContact O-N 2.97Å; K89-M241 HydrophobicContact CB-CE 4.42Å; K89-M241 HydrophobicContact CD-CE 4.37Å; K89-M241 HydrophobicContact CG-CE 3.34Å; K89-M241 HydrophobicContact CG-SD 4.16Å |
| 90 | E | 94.6 | Very high | 88 | Confident | 135 Ų | 135 | 60.6 Ų | 60.6 | 63% | 0.631 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -61.8 | -44.4 | 177.4 | -72.3 | 177.6 | -179.6 | 0 | 0 | 111 | E86 E87 M92 A93 A94 | E86-E90 WeakPolarHBondContact O-CG 3.45Å; E86-E90 PolarHBondContact O-N 3.29Å; E87-E90 PolarHBondContact O-N 3.12Å; E87-E90 VanDerWaalsContact O-N 3.15Å; E90-M92 PolarHBondContact O-N 3.17Å; E90-A93 CarbonylContact O-C 3.58Å; E90-A93 WeakPolarHBondContact O-CB 3.46Å; E90-A93 PolarHBondContact O-N 3.08Å; E90-A94 WeakPolarHBondContact O-CB 3.36Å; E90-A94 PolarHBondContact O-N 3.07Å |
| 91 | D | 94.8 | Very high | 89.2 | Confident | 77 Ų | 77 | 58.7 Ų | 58.7 | 41% | 0.412 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.8 | -45.9 | 173.9 | -80 | -16.9 | 0 | 0 | 0 | 112 | E87 A93 A94 V95 V211 | E87-D91 PolarHBondContact O-N 2.9Å; D91-A93 VanDerWaalsContact C-N 3.32Å; D91-A93 PolarHBondContact O-N 3.21Å; D91-A94 WeakPolarHBondContact O-CB 3.3Å; D91-A94 PolarHBondContact O-N 2.63Å; D91-V95 WeakPolarHBondContact O-CG2 3.37Å; D91-V95 PolarHBondContact O-N 2.84Å; D91-V95 VanDerWaalsContact O-N 3.14Å; D91-V211 HydrophobicContact CB-CG1 3.81Å; D91-V211 HydrophobicContact CB-CG2 4.29Å |
| 92 | M | 94.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.3 | -37.5 | 175.8 | -71.3 | -176.1 | -174.1 | 0 | 0 | 111.9 | T88 K89 E90 V95 L96 L208 V211 R212 M241 A242 F245 | T88-M92 HydrophobicContact CG2-CE 3.84Å; T88-M92 VanDerWaalsContact O-CG 3.28Å; T88-M92 WeakPolarHBondContact O-CG 3.46Å; T88-M92 PolarHBondContact O-N 3.23Å; T88-M92 VanDerWaalsContact O-N 3.09Å; K89-M92 PolarHBondContact O-N 3.02Å; E90-M92 PolarHBondContact O-N 3.17Å; M92-V95 PolarHBondContact O-N 2.89Å; M92-L96 PolarHBondContact O-N 2.79Å; M92-L208 HydrophobicContact CB-CD2 3.95Å; M92-L208 HydrophobicContact CG-CD2 3.86Å; M92-V211 HydrophobicContact CE-CG1 4.27Å; M92-V211 HydrophobicContact CG-CG1 3.96Å; M92-R212 HydrophobicContact CE-CB 4.5Å; M92-M241 HydrophobicContact SD-CB 4.44Å; M92-M241 HydrophobicContact SD-CE 4.49Å; M92-A242 HydrophobicContact CE-CB 3.88Å; M92-A242 HydrophobicContact SD-CB 4.44Å; M92-F245 HydrophobicContact CB-CD1 4.12Å; M92-F245 HydrophobicContact CB-CD2 3.76Å; M92-F245 HydrophobicContact CB-CE1 4.17Å; M92-F245 HydrophobicContact CB-CE2 3.82Å; M92-F245 HydrophobicContact CB-CG 3.94Å; M92-F245 HydrophobicContact CB-CZ 4.03Å; M92-F245 HydrophobicContact CG-CD2 4.25Å; M92-F245 HydrophobicContact SD-CD2 3.51Å; M92-F245 VanDerWaalsContact SD-CD2 3.51Å; M92-F245 HydrophobicContact SD-CE2 3.94Å; M92-F245 HydrophobicContact SD-CG 4.29Å |
| 93 | A | 95.4 | Very high | 91.8 | Very high | 40 Ų | 40 | 53 Ų | 53 | 33% | 0.331 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.5 | -36.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | K89 E90 D91 V95 L96 T97 | K89-A93 VanDerWaalsContact O-CB 3.31Å; K89-A93 WeakPolarHBondContact O-CB 3.35Å; K89-A93 PolarHBondContact O-N 2.97Å; E90-A93 CarbonylContact O-C 3.58Å; E90-A93 WeakPolarHBondContact O-CB 3.46Å; E90-A93 PolarHBondContact O-N 3.08Å; D91-A93 VanDerWaalsContact C-N 3.32Å; D91-A93 PolarHBondContact O-N 3.21Å; A93-V95 VanDerWaalsContact C-N 3.27Å; A93-V95 PolarHBondContact O-N 2.89Å; A93-L96 WeakPolarHBondContact O-CA 3.4Å; A93-L96 WeakPolarHBondContact O-CB 3.31Å; A93-L96 PolarHBondContact O-N 3.5Å; A93-T97 PolarHBondContact O-N 3.05Å |
| 94 | A | 96.3 | Very high | 92.4 | Very high | 49 Ų | 49 | 56.5 Ų | 56.5 | 41% | 0.405 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.6 | -34.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | E90 D91 L96 T97 T98 | E90-A94 WeakPolarHBondContact O-CB 3.36Å; E90-A94 PolarHBondContact O-N 3.07Å; D91-A94 WeakPolarHBondContact O-CB 3.3Å; D91-A94 PolarHBondContact O-N 2.63Å; A94-L96 VanDerWaalsContact C-N 3.31Å; A94-L96 PolarHBondContact O-N 3.05Å; A94-T97 WeakPolarHBondContact CA-OG1 2.95Å; A94-T97 PolarHBondContact O-N 3.48Å; A94-T97 PolarHBondContact O-OG1 3.15Å; A94-T98 WeakPolarHBondContact O-CB 3.25Å; A94-T98 WeakPolarHBondContact O-CG2 3.38Å; A94-T98 PolarHBondContact O-N 3.32Å; A94-T98 PolarHBondContact O-OG1 3.28Å |
| 95 | V | 96.4 | Very high | 92.5 | Very high | 14 Ų | 14 | 62.6 Ų | 62.6 | 9% | 0.085 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.2 | -35.5 | 171.3 | 180 | 0 | 0 | 0 | 0 | 111.7 | D91 M92 A93 T98 L99 A204 L208 V211 | D91-V95 WeakPolarHBondContact O-CG2 3.37Å; D91-V95 PolarHBondContact O-N 2.84Å; D91-V95 VanDerWaalsContact O-N 3.14Å; M92-V95 PolarHBondContact O-N 2.89Å; A93-V95 VanDerWaalsContact C-N 3.27Å; A93-V95 PolarHBondContact O-N 2.89Å; V95-T98 WeakPolarHBondContact CA-OG1 3.49Å; V95-T98 PolarHBondContact O-OG1 2.94Å; V95-L99 WeakPolarHBondContact O-CB 3.25Å; V95-L99 PolarHBondContact O-N 3.28Å; V95-L99 VanDerWaalsContact O-N 3.15Å; V95-A204 HydrophobicContact CG1-CB 3.95Å; V95-A204 WeakPolarHBondContact CG1-O 3.49Å; V95-L208 HydrophobicContact CB-CD2 4.15Å; V95-L208 HydrophobicContact CB-CG 4.39Å; V95-L208 HydrophobicContact CG1-CD2 4.26Å; V95-L208 HydrophobicContact CG1-CG 3.95Å; V95-L208 HydrophobicContact CG2-CD2 4.47Å; V95-V211 HydrophobicContact CG2-CG2 4.47Å |
| 96 | L | 95.4 | Very high | 92.6 | Very high | 17 Ų | 17 | 65.6 Ų | 65.6 | 9% | 0.089 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -71.2 | -38.8 | 174.5 | -74.2 | -174 | 0 | 0 | 0 | 113 | M92 A93 A94 L99 K100 F245 D248 V249 | M92-L96 PolarHBondContact O-N 2.79Å; A93-L96 WeakPolarHBondContact O-CA 3.4Å; A93-L96 WeakPolarHBondContact O-CB 3.31Å; A93-L96 PolarHBondContact O-N 3.5Å; A94-L96 VanDerWaalsContact C-N 3.31Å; A94-L96 PolarHBondContact O-N 3.05Å; L96-L99 PolarHBondContact O-N 3.43Å; L96-K100 WeakPolarHBondContact O-CG 3.49Å; L96-K100 PolarHBondContact O-N 3.49Å; L96-F245 HydrophobicContact CD1-CD1 3.57Å; L96-F245 HydrophobicContact CD1-CE1 3.95Å; L96-F245 HydrophobicContact CG-CD1 4.1Å; L96-D248 HydrophobicContact CD1-CB 4.39Å; L96-V249 HydrophobicContact CD2-CG2 3.5Å; L96-V249 VanDerWaalsContact CD2-CG2 3.5Å |
| 97 | T | 95.8 | Very high | 92.4 | Very high | 72 Ų | 72 | 60.3 Ų | 60.3 | 44% | 0.442 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66 | -45.5 | 178 | 55.8 | 0 | 0 | 0 | 0 | 110.9 | A93 A94 L99 K100 D101 | A93-T97 PolarHBondContact O-N 3.05Å; A94-T97 WeakPolarHBondContact CA-OG1 2.95Å; A94-T97 PolarHBondContact O-N 3.48Å; A94-T97 PolarHBondContact O-OG1 3.15Å; T97-L99 VanDerWaalsContact C-N 3.33Å; T97-L99 PolarHBondContact O-N 2.92Å; T97-K100 WeakPolarHBondContact O-CB 3.37Å; T97-K100 PolarHBondContact O-N 2.96Å; T97-K100 VanDerWaalsContact O-N 3.1Å; T97-D101 PolarHBondContact O-N 2.87Å |
| 98 | T | 95.8 | Very high | 91.9 | Very high | 73 Ų | 73 | 57.8 Ų | 57.8 | 45% | 0.448 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59 | -41.5 | 175 | 49.9 | 0 | 0 | 0 | 0 | 112.5 | A94 V95 K100 D101 D102 | A94-T98 WeakPolarHBondContact O-CB 3.25Å; A94-T98 WeakPolarHBondContact O-CG2 3.38Å; A94-T98 PolarHBondContact O-N 3.32Å; A94-T98 PolarHBondContact O-OG1 3.28Å; V95-T98 WeakPolarHBondContact CA-OG1 3.49Å; V95-T98 PolarHBondContact O-OG1 2.94Å; T98-K100 PolarHBondContact O-N 3.05Å; T98-D101 PolarHBondContact O-N 3.36Å; T98-D102 WeakPolarHBondContact O-CB 3.42Å; T98-D102 PolarHBondContact O-N 3.18Å |
| 99 | L | 95.1 | Very high | 91.2 | Very high | 3 Ų | 3 | 58.6 Ų | 58.6 | 2% | 0.016 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.3 | -43 | 174 | -177 | 109.8 | 0 | 0 | 0 | 112.2 | V95 L96 T97 D101 D102 F103 A204 V249 Q252 | V95-L99 WeakPolarHBondContact O-CB 3.25Å; V95-L99 PolarHBondContact O-N 3.28Å; V95-L99 VanDerWaalsContact O-N 3.15Å; L96-L99 PolarHBondContact O-N 3.43Å; T97-L99 VanDerWaalsContact C-N 3.33Å; T97-L99 PolarHBondContact O-N 2.92Å; L99-D101 VanDerWaalsContact C-N 3.32Å; L99-D101 PolarHBondContact O-N 3.32Å; L99-D102 PolarHBondContact O-N 2.89Å; L99-F103 HydrophobicContact CD1-CE1 4.2Å; L99-F103 HydrophobicContact CD1-CE2 4.38Å; L99-F103 HydrophobicContact CD1-CZ 3.9Å; L99-F103 HydrophobicContact CD2-CD2 4.03Å; L99-F103 HydrophobicContact CD2-CE2 3.43Å; L99-F103 VanDerWaalsContact CD2-CE2 3.43Å; L99-F103 HydrophobicContact CD2-CZ 3.78Å; L99-F103 HydrophobicContact CG-CD2 4.24Å; L99-F103 HydrophobicContact CG-CE1 4.18Å; L99-F103 HydrophobicContact CG-CE2 3.83Å; L99-F103 HydrophobicContact CG-CZ 3.82Å; L99-F103 WeakPolarHBondContact O-CB 3.34Å; L99-F103 VanDerWaalsContact O-CG 3.27Å; L99-F103 WeakPolarHBondContact O-CG 3.48Å; L99-F103 PolarHBondContact O-N 3.34Å; L99-A204 HydrophobicContact CB-CB 4.26Å; L99-A204 HydrophobicContact CD1-CB 3.31Å; L99-A204 HydrophobicContact CG-CB 4.35Å; L99-V249 HydrophobicContact CD1-CG1 4.37Å; L99-Q252 HydrophobicContact CD2-CB 4.19Å |
| 100 | K | 93.4 | Very high | 90.3 | Very high | 106 Ų | 106 | 61.1 Ų | 61.1 | 46% | 0.461 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63 | -40 | 177.4 | -72.7 | 174.1 | -176.6 | 175.8 | 0 | 111.8 | L96 T97 T98 F103 S104 | L96-K100 WeakPolarHBondContact O-CG 3.49Å; L96-K100 PolarHBondContact O-N 3.49Å; T97-K100 WeakPolarHBondContact O-CB 3.37Å; T97-K100 PolarHBondContact O-N 2.96Å; T97-K100 VanDerWaalsContact O-N 3.1Å; T98-K100 PolarHBondContact O-N 3.05Å; K100-F103 PolarHBondContact O-N 2.94Å; K100-S104 WeakPolarHBondContact O-CB 3.46Å; K100-S104 PolarHBondContact O-N 3.3Å; K100-S104 PolarHBondContact O-OG 3.25Å |
| 101 | D | 92.1 | Very high | 89.3 | Confident | 79 Ų | 79 | 56.9 Ų | 56.9 | 42% | 0.422 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66.4 | -44.7 | 177.1 | -70.2 | -15.9 | 0 | 0 | 0 | 111.1 | T97 T98 L99 F103 S104 R105 | T97-D101 PolarHBondContact O-N 2.87Å; T98-D101 PolarHBondContact O-N 3.36Å; L99-D101 VanDerWaalsContact C-N 3.32Å; L99-D101 PolarHBondContact O-N 3.32Å; D101-F103 VanDerWaalsContact C-N 3.3Å; D101-F103 PolarHBondContact O-N 3.32Å; D101-S104 PolarHBondContact O-N 3.3Å; D101-R105 WeakPolarHBondContact O-CB 3.4Å; D101-R105 VanDerWaalsContact O-CG 3.28Å; D101-R105 WeakPolarHBondContact O-CG 3.35Å; D101-R105 PolarHBondContact O-N 3.09Å |
| 102 | D | 93 | Very high | 88.5 | Confident | 57 Ų | 57 | 55.6 Ų | 55.6 | 31% | 0.305 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.1 | -42.2 | 175.9 | -82.5 | -17.7 | 0 | 0 | 0 | 111.8 | T98 L99 N106 F200 | T98-D102 WeakPolarHBondContact O-CB 3.42Å; T98-D102 PolarHBondContact O-N 3.18Å; L99-D102 PolarHBondContact O-N 2.89Å; D102-N106 WeakPolarHBondContact O-CB 3.43Å; D102-N106 PolarHBondContact O-N 3.07Å; D102-N106 PolarHBondContact O-ND2 3.3Å; D102-F200 HydrophobicContact CB-CD1 3.93Å; D102-F200 HydrophobicContact CB-CE1 4.14Å; D102-F200 HydrophobicContact CB-CG 4.32Å |
| 103 | F | 92.1 | Very high | 87.7 | Confident | 5 Ų | 5 | 57.9 Ų | 57.9 | 2% | 0.022 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.2 | -45.1 | 175.3 | -72.6 | -9.4 | 0 | 0 | 0 | 112.1 | L99 K100 D101 R105 L107 F200 Q252 K256 | L99-F103 HydrophobicContact CD1-CE1 4.2Å; L99-F103 HydrophobicContact CD1-CE2 4.38Å; L99-F103 HydrophobicContact CD1-CZ 3.9Å; L99-F103 HydrophobicContact CD2-CD2 4.03Å; L99-F103 HydrophobicContact CD2-CE2 3.43Å; L99-F103 VanDerWaalsContact CD2-CE2 3.43Å; L99-F103 HydrophobicContact CD2-CZ 3.78Å; L99-F103 HydrophobicContact CG-CD2 4.24Å; L99-F103 HydrophobicContact CG-CE1 4.18Å; L99-F103 HydrophobicContact CG-CE2 3.83Å; L99-F103 HydrophobicContact CG-CZ 3.82Å; L99-F103 WeakPolarHBondContact O-CB 3.34Å; L99-F103 VanDerWaalsContact O-CG 3.27Å; L99-F103 WeakPolarHBondContact O-CG 3.48Å; L99-F103 PolarHBondContact O-N 3.34Å; K100-F103 PolarHBondContact O-N 2.94Å; D101-F103 VanDerWaalsContact C-N 3.3Å; D101-F103 PolarHBondContact O-N 3.32Å; F103-R105 VanDerWaalsContact C-N 3.33Å; F103-R105 PolarHBondContact O-N 3.12Å; F103-L107 HydrophobicContact CB-CD1 4.15Å; F103-L107 HydrophobicContact CD1-CD1 3.18Å; F103-L107 HydrophobicContact CD1-CG 4.31Å; F103-L107 HydrophobicContact CE1-CD1 3.65Å; F103-L107 HydrophobicContact CG-CD1 3.84Å; F103-L107 WeakPolarHBondContact O-CA 3.35Å; F103-L107 VanDerWaalsContact O-CB 3.32Å; F103-L107 WeakPolarHBondContact O-CB 3.43Å; F103-L107 PolarHBondContact O-N 3.03Å; F103-F200 HydrophobicContact CD1-CB 4.31Å; F103-F200 HydrophobicContact CE1-CB 3.82Å; F103-Q252 HydrophobicContact CE2-CB 4.26Å; F103-K256 HydrophobicContact CD2-CB 4.46Å; F103-K256 HydrophobicContact CD2-CD 4.47Å; F103-K256 HydrophobicContact CD2-CG 3.72Å; F103-K256 HydrophobicContact CE2-CB 4.42Å; F103-K256 HydrophobicContact CE2-CG 4.05Å; F103-K256 HydrophobicContact CG-CG 4.37Å |
| 104 | S | 87.6 | Confident | 87 | Confident | 82 Ų | 82 | 57.3 Ų | 57.3 | 57% | 0.573 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -65.9 | -37.1 | -178.4 | -56.2 | 0 | 0 | 0 | 0 | 112 | K100 D101 | K100-S104 WeakPolarHBondContact O-CB 3.46Å; K100-S104 PolarHBondContact O-N 3.3Å; K100-S104 PolarHBondContact O-OG 3.25Å; D101-S104 PolarHBondContact O-N 3.3Å |
| 105 | R | 85.3 | Confident | 86.2 | Confident | 191 Ų | 191 | 56 Ų | 56 | 72% | 0.721 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -77.8 | -41.8 | -179.1 | -68.3 | 174.1 | -173.5 | -169.2 | 4.2 | 113.3 | D101 F103 | D101-R105 WeakPolarHBondContact O-CB 3.4Å; D101-R105 VanDerWaalsContact O-CG 3.28Å; D101-R105 WeakPolarHBondContact O-CG 3.35Å; D101-R105 PolarHBondContact O-N 3.09Å; F103-R105 VanDerWaalsContact C-N 3.33Å; F103-R105 PolarHBondContact O-N 3.12Å |
| 106 | N | 86.7 | Confident | 85.7 | Confident | 79 Ų | 79 | 55.3 Ų | 55.3 | 42% | 0.422 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -104.6 | -25.3 | -168.2 | -61.7 | -73.6 | 0 | 0 | 0 | 114.4 | D102 F200 | D102-N106 WeakPolarHBondContact O-CB 3.43Å; D102-N106 PolarHBondContact O-N 3.07Å; D102-N106 PolarHBondContact O-ND2 3.3Å; N106-F200 HydrophobicContact CB-CE2 3.84Å; N106-F200 HydrophobicContact CB-CZ 4.07Å |
| 107 | L | 83.6 | Confident | 85.2 | Confident | 3 Ų | 3 | 56.9 Ų | 56.9 | 2% | 0.016 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -111.1 | 23.2 | -168.5 | -55.4 | 175.5 | 0 | 0 | 0 | 113.8 | F103 L193 L196 A197 L260 | F103-L107 HydrophobicContact CB-CD1 4.15Å; F103-L107 HydrophobicContact CD1-CD1 3.18Å; F103-L107 HydrophobicContact CD1-CG 4.31Å; F103-L107 HydrophobicContact CE1-CD1 3.65Å; F103-L107 HydrophobicContact CG-CD1 3.84Å; F103-L107 WeakPolarHBondContact O-CA 3.35Å; F103-L107 VanDerWaalsContact O-CB 3.32Å; F103-L107 WeakPolarHBondContact O-CB 3.43Å; F103-L107 PolarHBondContact O-N 3.03Å; L107-L193 WeakPolarHBondContact CD2-O 3.28Å; L107-L196 HydrophobicContact CD2-CB 3.87Å; L107-A197 HydrophobicContact CD1-CB 3.5Å; L107-A197 VanDerWaalsContact CD1-CB 3.5Å; L107-A197 HydrophobicContact CD2-CB 4.18Å; L107-A197 HydrophobicContact CG-CB 4.5Å; L107-L260 HydrophobicContact CB-CD1 4.46Å; L107-L260 WeakPolarHBondContact O-CD2 3.09Å |
| 108 | S | 79.6 | Confident | 84.6 | Confident | 53 Ų | 53 | 61.2 Ų | 61.2 | 37% | 0.371 | 32% | 0.324 | S | S | . | . | trans | -80.3 | 125.7 | 176.4 | -177 | 0 | 0 | 0 | 0 | 111.2 | R110 | S108-R110 PolarHBondContact O-N 3.16Å; S108-R110 VanDerWaalsContact O-N 3.16Å | ||
| 109 | I | 76.3 | Confident | 84.3 | Confident | 25 Ų | 25 | 58.7 Ų | 58.7 | 13% | 0.128 | 31% | 0.308 | C | S | . | . | trans | -72.1 | 107.4 | 164 | -49.3 | -179.1 | 0 | 0 | 0 | 106.1 | T111 V185 L260 | I109-T111 HydrophobicContact CG2-CG2 3.94Å; I109-T111 WeakPolarHBondContact CG2-OG1 3.45Å; I109-T111 PolarHBondContact O-N 3.47Å; I109-T111 PolarHBondContact O-OG1 3.28Å; I109-V185 HydrophobicContact CG2-CG2 3.94Å; I109-L260 HydrophobicContact CD1-CD2 4.28Å; I109-L260 HydrophobicContact CG1-CD2 3.76Å | ||
| 110 | R | 73.1 | Confident | 84.1 | Confident | 124 Ų | 124 | 62.5 Ų | 62.5 | 47% | 0.468 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | 55.3 | -173.5 | -54.6 | 174.4 | 174.4 | -108.4 | 2.8 | 113.2 | S108 S166 M167 | S108-R110 PolarHBondContact O-N 3.16Å; S108-R110 VanDerWaalsContact O-N 3.16Å; R110-S166 PolarHBondContact NH1-OG 3.5Å; R110-M167 HydrophobicContact CB-CE 3.58Å; R110-M167 HydrophobicContact CB-SD 4.09Å; R110-M167 WeakPolarHBondContact O-CE 3.29Å |
| 111 | T | 73.1 | Confident | 84.1 | Confident | 45 Ų | 45 | 57.5 Ų | 57.5 | 28% | 0.276 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.2 | -14.6 | -176.3 | 52.9 | 0 | 0 | 0 | 0 | 112.2 | I109 I182 V185 | I109-T111 HydrophobicContact CG2-CG2 3.94Å; I109-T111 WeakPolarHBondContact CG2-OG1 3.45Å; I109-T111 PolarHBondContact O-N 3.47Å; I109-T111 PolarHBondContact O-OG1 3.28Å; T111-I182 HydrophobicContact CG2-CG2 3.95Å; T111-V185 HydrophobicContact CG2-CG2 3.92Å |
| 112 | S | 78.4 | Confident | 84 | Confident | 51 Ų | 51 | 57.2 Ų | 57.2 | 36% | 0.357 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -74.1 | 149.3 | 174.9 | 58.2 | 0 | 0 | 0 | 0 | 111.7 | G114 A115 | S112-G114 PolarHBondContact O-N 2.99Å; S112-A115 WeakPolarHBondContact O-CB 3.39Å; S112-A115 PolarHBondContact O-N 3.03Å |
| 113 | P | 77.6 | Confident | 83.8 | Confident | 47 Ų | 47 | 55.8 Ų | 55.8 | 31% | 0.305 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -54 | -39 | 175.9 | 19.9 | -31.2 | 0 | 0 | 0 | 113.6 | A115 L116 I136 | P113-A115 PolarHBondContact O-N 2.99Å; P113-L116 PolarHBondContact O-N 3.24Å; P113-L116 VanDerWaalsContact O-N 3.16Å; P113-I136 HydrophobicContact CB-CG2 3.93Å |
| 114 | G | 80.8 | Confident | 83.6 | Confident | 29 Ų | 29 | 60.5 Ų | 60.5 | 30% | 0.299 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -64.6 | -9.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | S112 L116 D117 | S112-G114 PolarHBondContact O-N 2.99Å; G114-L116 PolarHBondContact O-N 3.08Å; G114-D117 WeakPolarHBondContact CA-OD2 3.46Å; G114-D117 PolarHBondContact O-N 2.77Å |
| 115 | A | 79.9 | Confident | 83.3 | Confident | 21 Ų | 21 | 63 Ų | 63 | 17% | 0.174 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -66.3 | -23.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S112 P113 M167 | S112-A115 WeakPolarHBondContact O-CB 3.39Å; S112-A115 PolarHBondContact O-N 3.03Å; P113-A115 PolarHBondContact O-N 2.99Å; A115-M167 HydrophobicContact CB-SD 4.18Å |
| 116 | L | 85 | Confident | 83.5 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -90 | -13 | 179.9 | -56.5 | -176.7 | 0 | 0 | 0 | 113.1 | P113 G114 H118 I119 L130 I136 I144 V146 L162 M167 L169 | P113-L116 PolarHBondContact O-N 3.24Å; P113-L116 VanDerWaalsContact O-N 3.16Å; G114-L116 PolarHBondContact O-N 3.08Å; L116-H118 VanDerWaalsContact C-N 3.28Å; L116-H118 PolarHBondContact O-N 3.5Å; L116-I119 HydrophobicContact CB-CD1 4.28Å; L116-I119 HydrophobicContact CD2-CD1 3.68Å; L116-I119 WeakPolarHBondContact O-CB 3.48Å; L116-I119 WeakPolarHBondContact O-CG1 3.31Å; L116-I119 PolarHBondContact O-N 3.28Å; L116-I119 VanDerWaalsContact O-N 3.13Å; L116-L130 HydrophobicContact CB-CD2 4.16Å; L116-I136 HydrophobicContact CB-CD1 4.23Å; L116-I144 HydrophobicContact CD1-CB 4.37Å; L116-I144 HydrophobicContact CD1-CD1 4.04Å; L116-I144 HydrophobicContact CD1-CG2 3.83Å; L116-I144 HydrophobicContact CG-CD1 4.45Å; L116-V146 HydrophobicContact CD1-CG2 4.39Å; L116-L162 HydrophobicContact CD1-CD2 4.38Å; L116-L162 HydrophobicContact CD2-CD2 4.03Å; L116-M167 HydrophobicContact CD2-SD 4.23Å; L116-L169 HydrophobicContact CD2-CD1 3.72Å |
| 117 | D | 84.2 | Confident | 83.8 | Confident | 50 Ų | 50 | 59 Ų | 59 | 27% | 0.267 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -33.3 | -174.6 | -65 | -2.8 | 0 | 0 | 0 | 112.7 | G114 I119 N131 I136 | G114-D117 WeakPolarHBondContact CA-OD2 3.46Å; G114-D117 PolarHBondContact O-N 2.77Å; D117-I119 VanDerWaalsContact C-N 3.25Å; D117-I119 PolarHBondContact O-N 3.03Å; D117-N131 HydrophobicContact CB-CB 4.33Å; D117-I136 WeakPolarHBondContact OD1-CD1 3.36Å |
| 118 | H | 84 | Confident | 84.2 | Confident | 163 Ų | 163 | 62.3 Ų | 62.3 | 76% | 0.755 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -4.4 | -179.5 | -57.6 | -57.7 | 0 | 0 | 0 | 113.8 | L116 V120 | L116-H118 VanDerWaalsContact C-N 3.28Å; L116-H118 PolarHBondContact O-N 3.5Å; H118-V120 PolarHBondContact O-N 3.17Å |
| 119 | I | 88.8 | Confident | 84.8 | Confident | 20 Ų | 20 | 61.9 Ų | 61.9 | 10% | 0.103 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -75.4 | 116.9 | 179.8 | -60.7 | 176.8 | 0 | 0 | 0 | 108.3 | L116 D117 L130 A161 L162 | L116-I119 HydrophobicContact CB-CD1 4.28Å; L116-I119 HydrophobicContact CD2-CD1 3.68Å; L116-I119 WeakPolarHBondContact O-CB 3.48Å; L116-I119 WeakPolarHBondContact O-CG1 3.31Å; L116-I119 PolarHBondContact O-N 3.28Å; L116-I119 VanDerWaalsContact O-N 3.13Å; D117-I119 VanDerWaalsContact C-N 3.25Å; D117-I119 PolarHBondContact O-N 3.03Å; I119-L130 PolarHBondContact O-N 3.43Å; I119-A161 HydrophobicContact CG2-CB 3.97Å; I119-L162 HydrophobicContact CD1-CD2 3.68Å |
| 120 | V | 91.6 | Very high | 85.5 | Confident | 83 Ų | 83 | 60.7 Ų | 60.7 | 50% | 0.503 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 122.9 | 177.9 | -176.7 | 0 | 0 | 0 | 0 | 109.2 | H118 K127 | H118-V120 PolarHBondContact O-N 3.17Å; V120-K127 HydrophobicContact CG1-CB 3.79Å; V120-K127 HydrophobicContact CG1-CD 4.44Å; V120-K127 HydrophobicContact CG1-CG 4.4Å |
| 121 | V | 92.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 130.5 | 175.4 | -175.2 | 0 | 0 | 0 | 0 | 108.5 | K127 F128 L130 L133 A157 A158 A161 | V121-K127 WeakPolarHBondContact O-CA 3.28Å; V121-F128 PolarHBondContact N-O 3.49Å; V121-F128 PolarHBondContact O-N 2.92Å; V121-L130 HydrophobicContact CG2-CB 4.22Å; V121-L130 HydrophobicContact CG2-CD1 3.81Å; V121-L133 HydrophobicContact CB-CD1 3.68Å; V121-L133 HydrophobicContact CG1-CD1 3.88Å; V121-L133 HydrophobicContact CG2-CD1 4.13Å; V121-A157 HydrophobicContact CG1-CB 3.67Å; V121-A158 HydrophobicContact CG1-CB 4.31Å; V121-A158 HydrophobicContact CG2-CB 4.26Å; V121-A161 HydrophobicContact CB-CB 4.45Å; V121-A161 HydrophobicContact CG2-CB 4.02Å |
| 122 | S | 91.2 | Very high | 87.1 | Confident | 73 Ų | 73 | 63.2 Ų | 63.2 | 51% | 0.51 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 108.6 | 174.2 | -58.4 | 0 | 0 | 0 | 0 | 109.1 | A157 | S122-A157 WeakPolarHBondContact O-CB 3.42Å |
| 123 | T | 89.2 | Confident | 87.7 | Confident | 28 Ų | 28 | 61.5 Ų | 61.5 | 17% | 0.172 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 172.4 | 175.5 | -50.5 | 0 | 0 | 0 | 0 | 109.3 | D125 G126 A154 | T123-D125 PolarHBondContact O-N 3.19Å; T123-G126 PolarHBondContact N-O 3.45Å; T123-G126 PolarHBondContact O-N 3.47Å; T123-A154 HydrophobicContact CG2-CB 4.35Å |
| 124 | A | 86.4 | Confident | 88.3 | Confident | 103 Ų | 103 | 59.8 Ų | 59.8 | 85% | 0.851 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -35.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | G126 | A124-G126 VanDerWaalsContact C-N 3.33Å; A124-G126 PolarHBondContact O-N 3Å |
| 125 | D | 82.8 | Confident | 88.8 | Confident | 135 Ų | 135 | 65 Ų | 65 | 72% | 0.722 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -6.2 | -176.8 | -48.2 | -63.3 | 0 | 0 | 0 | 113.9 | T123 F128 | T123-D125 PolarHBondContact O-N 3.19Å; D125-F128 HydrophobicContact CB-CE2 4.33Å |
| 126 | G | 88.9 | Confident | 89.4 | Confident | 28 Ų | 28 | 65.3 Ų | 65.3 | 29% | 0.289 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 137.8 | -169.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | T123 A124 | T123-G126 PolarHBondContact N-O 3.45Å; T123-G126 PolarHBondContact O-N 3.47Å; A124-G126 VanDerWaalsContact C-N 3.33Å; A124-G126 PolarHBondContact O-N 3Å |
| 127 | K | 92.8 | Very high | 89.7 | Confident | 158 Ų | 158 | 67.4 Ų | 67.4 | 69% | 0.687 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 121.6 | -179 | -67.5 | -175.5 | -178.8 | 178.3 | 0 | 110.2 | V120 V121 | V120-K127 HydrophobicContact CG1-CB 3.79Å; V120-K127 HydrophobicContact CG1-CD 4.44Å; V120-K127 HydrophobicContact CG1-CG 4.4Å; V121-K127 WeakPolarHBondContact O-CA 3.28Å |
| 128 | F | 91.6 | Very high | 90 | Very high | 73 Ų | 73 | 69.9 Ų | 69.9 | 32% | 0.32 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 145.1 | -179.4 | -59.4 | -81.2 | 0 | 0 | 0 | 110.7 | V121 D125 L133 | V121-F128 PolarHBondContact N-O 3.49Å; V121-F128 PolarHBondContact O-N 2.92Å; D125-F128 HydrophobicContact CB-CE2 4.33Å; F128-L133 HydrophobicContact CB-CD1 4.16Å; F128-L133 HydrophobicContact CB-CD2 4Å; F128-L133 HydrophobicContact CB-CG 4.01Å; F128-L133 HydrophobicContact CD2-CD2 4.38Å; F128-L133 HydrophobicContact CG-CD2 4.32Å |
| 129 | P | 92.4 | Very high | 90.3 | Very high | 44 Ų | 44 | 69.8 Ų | 69.8 | 29% | 0.286 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 147.2 | 170.7 | 29.7 | -34.8 | 0 | 0 | 0 | 110.7 | N131 Q132 | P129-N131 PolarHBondContact O-N 2.93Å; P129-N131 VanDerWaalsContact O-N 3.15Å; P129-Q132 HydrophobicContact CG-CB 4.26Å; P129-Q132 VanDerWaalsContact CG-CD 3.5Å; P129-Q132 HydrophobicContact CG-CG 3.79Å; P129-Q132 PolarHBondContact O-N 3.01Å |
| 130 | L | 90.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -56.8 | -34.7 | -176.4 | -173.7 | 63.8 | 0 | 0 | 0 | 113.2 | L116 I119 V121 Q132 L133 G134 I136 V146 M148 A158 L162 | L116-L130 HydrophobicContact CB-CD2 4.16Å; I119-L130 PolarHBondContact O-N 3.43Å; V121-L130 HydrophobicContact CG2-CB 4.22Å; V121-L130 HydrophobicContact CG2-CD1 3.81Å; L130-Q132 PolarHBondContact O-N 3.4Å; L130-L133 PolarHBondContact O-N 2.88Å; L130-L133 VanDerWaalsContact O-N 3.16Å; L130-G134 PolarHBondContact O-N 3.47Å; L130-G134 VanDerWaalsContact O-N 3.11Å; L130-I136 HydrophobicContact CD2-CD1 4.41Å; L130-I136 HydrophobicContact CG-CD1 4.42Å; L130-V146 HydrophobicContact CD1-CG1 4.28Å; L130-V146 HydrophobicContact CD2-CG1 4.48Å; L130-V146 HydrophobicContact CD2-CG2 4.41Å; L130-V146 HydrophobicContact CG-CG1 4.36Å; L130-M148 HydrophobicContact CD1-SD 4.18Å; L130-A158 HydrophobicContact CD1-CB 3.89Å; L130-L162 HydrophobicContact CD2-CD2 4Å; L130-L162 HydrophobicContact CD2-CG 4.42Å |
| 131 | N | 90.9 | Very high | 90 | Very high | 92 Ų | 92 | 72 Ų | 72 | 49% | 0.492 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62 | -25.3 | 178.7 | -172.2 | 24.7 | 0 | 0 | 0 | 113.6 | D117 P129 I136 | D117-N131 HydrophobicContact CB-CB 4.33Å; P129-N131 PolarHBondContact O-N 2.93Å; P129-N131 VanDerWaalsContact O-N 3.15Å; N131-I136 HydrophobicContact CB-CD1 4.41Å |
| 132 | Q | 90.8 | Very high | 89.7 | Confident | 129 Ų | 129 | 76.2 Ų | 76.2 | 60% | 0.603 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -82.8 | -28.6 | 177.1 | -73.3 | 176.7 | 0.7 | 0 | 0 | 112.7 | P129 L130 | P129-Q132 HydrophobicContact CG-CB 4.26Å; P129-Q132 VanDerWaalsContact CG-CD 3.5Å; P129-Q132 HydrophobicContact CG-CG 3.79Å; P129-Q132 PolarHBondContact O-N 3.01Å; L130-Q132 PolarHBondContact O-N 3.4Å |
| 133 | L | 90.1 | Very high | 89.7 | Confident | 16 Ų | 16 | 75.4 Ų | 75.4 | 8% | 0.084 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -88.8 | -22.8 | -176.1 | -59.8 | 177.3 | 0 | 0 | 0 | 112.7 | V121 F128 L130 M148 F151 A154 | V121-L133 HydrophobicContact CB-CD1 3.68Å; V121-L133 HydrophobicContact CG1-CD1 3.88Å; V121-L133 HydrophobicContact CG2-CD1 4.13Å; F128-L133 HydrophobicContact CB-CD1 4.16Å; F128-L133 HydrophobicContact CB-CD2 4Å; F128-L133 HydrophobicContact CB-CG 4.01Å; F128-L133 HydrophobicContact CD2-CD2 4.38Å; F128-L133 HydrophobicContact CG-CD2 4.32Å; L130-L133 PolarHBondContact O-N 2.88Å; L130-L133 VanDerWaalsContact O-N 3.16Å; L133-M148 HydrophobicContact CB-CE 3.49Å; L133-M148 VanDerWaalsContact CB-CE 3.49Å; L133-M148 HydrophobicContact CB-SD 4.39Å; L133-F151 HydrophobicContact CD2-CD2 4.34Å; L133-A154 HydrophobicContact CD1-CB 4.49Å |
| 134 | G | 90.3 | Very high | 89.8 | Confident | 11 Ų | 11 | 74.1 Ų | 74.1 | 11% | 0.113 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -157.8 | 160.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | L130 N147 | L130-G134 PolarHBondContact O-N 3.47Å; L130-G134 VanDerWaalsContact O-N 3.11Å; G134-N147 CarbonylContact C-O 3.56Å; G134-N147 WeakPolarHBondContact CA-O 3.45Å |
| 135 | Q | 91.7 | Very high | 90.1 | Very high | 138 Ų | 138 | 69.9 Ų | 69.9 | 65% | 0.645 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 119.7 | 178.2 | -172.2 | -178.8 | 18.3 | 0 | 0 | 110.2 | N147 | Q135-N147 HydrophobicContact CB-CB 4.4Å; Q135-N147 PolarHBondContact N-O 2.79Å; Q135-N147 PolarHBondContact O-N 3.18Å |
| 136 | I | 91.9 | Very high | 90.6 | Very high | 27 Ų | 27 | 63.4 Ų | 63.4 | 14% | 0.138 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 124.1 | 177.8 | -58.7 | 162.2 | 0 | 0 | 0 | 108.8 | P113 L116 D117 L130 N131 I144 V146 | P113-I136 HydrophobicContact CB-CG2 3.93Å; L116-I136 HydrophobicContact CB-CD1 4.23Å; D117-I136 WeakPolarHBondContact OD1-CD1 3.36Å; L130-I136 HydrophobicContact CD2-CD1 4.41Å; L130-I136 HydrophobicContact CG-CD1 4.42Å; N131-I136 HydrophobicContact CB-CD1 4.41Å; I136-I144 HydrophobicContact CG2-CG2 3.71Å; I136-V146 HydrophobicContact CG1-CG1 4.25Å; I136-V146 HydrophobicContact CG1-CG2 4.23Å |
| 137 | S | 91.2 | Very high | 90.8 | Very high | 44 Ų | 44 | 64 Ų | 64 | 31% | 0.308 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 138.8 | 179.8 | 63.7 | 0 | 0 | 0 | 0 | 110.8 | V145 | S137-V145 PolarHBondContact N-O 2.82Å; S137-V145 PolarHBondContact O-N 3.29Å; S137-V145 VanDerWaalsContact O-O 3.12Å; S137-V145 PolarHBondContact OG-O 3.31Å |
| 138 | M | 89.9 | Confident | 90.8 | Very high | 103 Ų | 103 | 56.4 Ų | 56.4 | 51% | 0.507 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 113.9 | 177.6 | -171.9 | 173.6 | 65.8 | 0 | 0 | 109.2 | S140 | M138-S140 WeakPolarHBondContact CG-O 3.3Å |
| 139 | K | 90.1 | Very high | 90.7 | Very high | 161 Ų | 161 | 58 Ų | 58 | 70% | 0.7 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88 | -34.1 | 177.7 | -175.2 | 173.4 | -178.6 | 175.8 | 0 | 111.8 | L143 V145 | K139-L143 HydrophobicContact CB-CD2 4.15Å; K139-L143 HydrophobicContact CD-CD2 4.45Å; K139-L143 PolarHBondContact N-O 3.5Å; K139-V145 HydrophobicContact CB-CG2 3.95Å; K139-V145 HydrophobicContact CD-CG2 4.27Å |
| 140 | S | 88.6 | Confident | 90.4 | Very high | 53 Ų | 53 | 58.5 Ų | 58.5 | 37% | 0.371 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 156.9 | 176.6 | 171.3 | 0 | 0 | 0 | 0 | 108.5 | M138 Q142 L143 | M138-S140 WeakPolarHBondContact CG-O 3.3Å; S140-Q142 PolarHBondContact O-N 2.97Å; S140-L143 PolarHBondContact N-O 3.21Å; S140-L143 VanDerWaalsContact N-O 3.14Å; S140-L143 CarbonylContact O-C 3.53Å; S140-L143 PolarHBondContact O-N 2.89Å |
| 141 | P | 85.4 | Confident | 90.3 | Very high | 95 Ų | 95 | 63 Ų | 63 | 62% | 0.617 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -18.6 | 177.5 | -27.6 | 35.7 | 0 | 0 | 0 | 115.2 | ||
| 142 | Q | 88.1 | Confident | 90.2 | Very high | 90 Ų | 90 | 62 Ų | 62 | 42% | 0.421 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | -4.5 | 177.1 | -74.5 | 160.1 | 48.3 | 0 | 0 | 113.4 | S140 A181 I182 K184 | S140-Q142 PolarHBondContact O-N 2.97Å; Q142-A181 CarbonylContact O-C 3.47Å; Q142-A181 WeakPolarHBondContact O-CA 3.44Å; Q142-I182 PolarHBondContact O-N 3.41Å; Q142-K184 HydrophobicContact CG-CG 4.36Å |
| 143 | L | 90.2 | Very high | 90.1 | Very high | 55 Ų | 55 | 61.5 Ų | 61.5 | 29% | 0.288 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 109.4 | -174.8 | -162.6 | 160.4 | 0 | 0 | 0 | 110.1 | K139 S140 V145 R179 | K139-L143 HydrophobicContact CB-CD2 4.15Å; K139-L143 HydrophobicContact CD-CD2 4.45Å; K139-L143 PolarHBondContact N-O 3.5Å; S140-L143 PolarHBondContact N-O 3.21Å; S140-L143 VanDerWaalsContact N-O 3.14Å; S140-L143 CarbonylContact O-C 3.53Å; S140-L143 PolarHBondContact O-N 2.89Å; L143-V145 HydrophobicContact CD2-CG2 3.39Å; L143-R179 HydrophobicContact CD2-CB 4.45Å |
| 144 | I | 91.6 | Very high | 90.2 | Very high | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 139.4 | 170.5 | -59.8 | -175.2 | 0 | 0 | 0 | 108.6 | L116 I136 V146 V180 I182 | L116-I144 HydrophobicContact CD1-CB 4.37Å; L116-I144 HydrophobicContact CD1-CD1 4.04Å; L116-I144 HydrophobicContact CD1-CG2 3.83Å; L116-I144 HydrophobicContact CG-CD1 4.45Å; I136-I144 HydrophobicContact CG2-CG2 3.71Å; I144-V146 HydrophobicContact CG2-CG2 4.47Å; I144-V180 HydrophobicContact CB-CB 4.46Å; I144-V180 PolarHBondContact N-O 3.44Å; I144-V180 PolarHBondContact O-N 2.92Å; I144-I182 HydrophobicContact CD1-CD1 3.36Å; I144-I182 HydrophobicContact CD1-CG1 4.43Å; I144-I182 HydrophobicContact CG1-CD1 3.86Å |
| 145 | V | 92.9 | Very high | 90.3 | Very high | 14 Ų | 14 | 60.9 Ų | 60.9 | 9% | 0.085 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 122.8 | 176.7 | -177.7 | 0 | 0 | 0 | 0 | 108.4 | S137 K139 L143 N147 I177 I178 | S137-V145 PolarHBondContact N-O 2.82Å; S137-V145 PolarHBondContact O-N 3.29Å; S137-V145 VanDerWaalsContact O-O 3.12Å; S137-V145 PolarHBondContact OG-O 3.31Å; K139-V145 HydrophobicContact CB-CG2 3.95Å; K139-V145 HydrophobicContact CD-CG2 4.27Å; L143-V145 HydrophobicContact CD2-CG2 3.39Å; V145-N147 WeakPolarHBondContact CG1-OD1 3.44Å; V145-I177 HydrophobicContact CG1-CG2 3.31Å; V145-I178 WeakPolarHBondContact CA-O 3.48Å |
| 146 | V | 93.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 115.9 | 173.2 | -172.3 | 0 | 0 | 0 | 0 | 108.1 | L116 L130 I136 I144 M148 I178 | L116-V146 HydrophobicContact CD1-CG2 4.39Å; L130-V146 HydrophobicContact CD1-CG1 4.28Å; L130-V146 HydrophobicContact CD2-CG1 4.48Å; L130-V146 HydrophobicContact CD2-CG2 4.41Å; L130-V146 HydrophobicContact CG-CG1 4.36Å; I136-V146 HydrophobicContact CG1-CG1 4.25Å; I136-V146 HydrophobicContact CG1-CG2 4.23Å; I144-V146 HydrophobicContact CG2-CG2 4.47Å; V146-M148 HydrophobicContact CG1-CG 4.19Å; V146-M148 HydrophobicContact CG1-SD 3.72Å; V146-I178 HydrophobicContact CB-CB 4.29Å; V146-I178 PolarHBondContact N-O 3.42Å; V146-I178 PolarHBondContact O-N 3.29Å |
| 147 | N | 93.6 | Very high | 90.4 | Very high | 39 Ų | 39 | 57 Ų | 57 | 21% | 0.209 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 113.3 | 178.6 | -63.9 | -36.1 | 0 | 0 | 0 | 109.3 | G134 Q135 V145 | G134-N147 CarbonylContact C-O 3.56Å; G134-N147 WeakPolarHBondContact CA-O 3.45Å; Q135-N147 HydrophobicContact CB-CB 4.4Å; Q135-N147 PolarHBondContact N-O 2.79Å; Q135-N147 PolarHBondContact O-N 3.18Å; V145-N147 WeakPolarHBondContact CG1-OD1 3.44Å |
| 148 | M | 91.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | trans | -105.2 | 30.6 | -176.6 | -59.2 | -68.4 | -62.8 | 0 | 0 | 112 | L130 L133 V146 G150 F151 A154 V155 A158 T176 I178 | L130-M148 HydrophobicContact CD1-SD 4.18Å; L133-M148 HydrophobicContact CB-CE 3.49Å; L133-M148 VanDerWaalsContact CB-CE 3.49Å; L133-M148 HydrophobicContact CB-SD 4.39Å; V146-M148 HydrophobicContact CG1-CG 4.19Å; V146-M148 HydrophobicContact CG1-SD 3.72Å; M148-G150 PolarHBondContact O-N 3.47Å; M148-G150 VanDerWaalsContact O-N 3.11Å; M148-F151 CarbonylContact O-C 3.48Å; M148-F151 PolarHBondContact O-N 3.14Å; M148-A154 HydrophobicContact CE-CB 4.1Å; M148-V155 HydrophobicContact CB-CG2 3.75Å; M148-V155 HydrophobicContact CG-CG2 4.23Å; M148-A158 HydrophobicContact CE-CB 4.21Å; M148-T176 PolarHBondContact N-O 3.37Å; M148-I178 HydrophobicContact CG-CD1 3.96Å; M148-I178 HydrophobicContact CG-CG1 4.45Å | ||
| 149 | T | 89.9 | Confident | 90.5 | Very high | 106 Ų | 106 | 50.8 Ų | 50.8 | 65% | 0.65 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -23.2 | -173.5 | 49.3 | 0 | 0 | 0 | 0 | 114.1 | ||
| 150 | G | 85.8 | Confident | 90.6 | Very high | 55 Ų | 55 | 51.1 Ų | 51.1 | 57% | 0.567 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -25.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | M148 | M148-G150 PolarHBondContact O-N 3.47Å; M148-G150 VanDerWaalsContact O-N 3.11Å |
| 151 | F | 88.3 | Confident | 90.8 | Very high | 94 Ų | 94 | 49.2 Ų | 49.2 | 41% | 0.412 | 28% | 0.28 | S | S | . | . | trans | -143.8 | 73.7 | -174 | -61.9 | -78.7 | 0 | 0 | 0 | 110.3 | L133 M148 E153 A154 | L133-F151 HydrophobicContact CD2-CD2 4.34Å; M148-F151 CarbonylContact O-C 3.48Å; M148-F151 PolarHBondContact O-N 3.14Å; F151-E153 WeakPolarHBondContact CD1-OE1 3.4Å; F151-E153 PolarHBondContact O-N 2.95Å; F151-A154 HydrophobicContact CB-CB 3.95Å; F151-A154 WeakPolarHBondContact O-CB 3.47Å; F151-A154 PolarHBondContact O-N 3.29Å; F151-A154 VanDerWaalsContact O-N 3.11Å | ||
| 152 | P | 89.2 | Confident | 91 | Very high | 70 Ų | 70 | 44.7 Ų | 44.7 | 46% | 0.455 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -62.5 | -29.5 | -177.3 | 25.6 | -34.3 | 0 | 0 | 0 | 113.1 | A154 V155 T176 | P152-A154 VanDerWaalsContact C-N 3.28Å; P152-A154 PolarHBondContact O-N 2.94Å; P152-V155 WeakPolarHBondContact O-CB 3.34Å; P152-V155 VanDerWaalsContact O-CG2 3.23Å; P152-V155 WeakPolarHBondContact O-CG2 3.27Å; P152-V155 PolarHBondContact O-N 3.19Å; P152-T176 HydrophobicContact CB-CG2 4.16Å |
| 153 | E | 89.7 | Confident | 91.2 | Very high | 120 Ų | 120 | 47 Ų | 47 | 56% | 0.561 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -67 | -26.8 | 175.4 | 65.8 | -71.7 | 161.5 | 0 | 0 | 113.2 | F151 V155 | F151-E153 WeakPolarHBondContact CD1-OE1 3.4Å; F151-E153 PolarHBondContact O-N 2.95Å; E153-V155 VanDerWaalsContact C-N 3.28Å; E153-V155 PolarHBondContact O-N 2.9Å |
| 154 | A | 90.9 | Very high | 91.1 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.008 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -79.9 | -7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | T123 L133 M148 F151 P152 A156 A157 A158 | T123-A154 HydrophobicContact CG2-CB 4.35Å; L133-A154 HydrophobicContact CD1-CB 4.49Å; M148-A154 HydrophobicContact CE-CB 4.1Å; F151-A154 HydrophobicContact CB-CB 3.95Å; F151-A154 WeakPolarHBondContact O-CB 3.47Å; F151-A154 PolarHBondContact O-N 3.29Å; F151-A154 VanDerWaalsContact O-N 3.11Å; P152-A154 VanDerWaalsContact C-N 3.28Å; P152-A154 PolarHBondContact O-N 2.94Å; A154-A156 VanDerWaalsContact C-N 3.34Å; A154-A156 PolarHBondContact O-N 2.83Å; A154-A157 PolarHBondContact O-N 3.13Å; A154-A158 WeakPolarHBondContact O-CB 3.34Å; A154-A158 PolarHBondContact O-N 2.89Å |
| 155 | V | 93.2 | Very high | 90.9 | Very high | 12 Ų | 12 | 52.6 Ų | 52.6 | 7% | 0.073 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59 | -43.5 | -178.2 | 171.6 | 0 | 0 | 0 | 0 | 111.9 | M148 P152 E153 A158 T159 V173 I178 | M148-V155 HydrophobicContact CB-CG2 3.75Å; M148-V155 HydrophobicContact CG-CG2 4.23Å; P152-V155 WeakPolarHBondContact O-CB 3.34Å; P152-V155 VanDerWaalsContact O-CG2 3.23Å; P152-V155 WeakPolarHBondContact O-CG2 3.27Å; P152-V155 PolarHBondContact O-N 3.19Å; E153-V155 VanDerWaalsContact C-N 3.28Å; E153-V155 PolarHBondContact O-N 2.9Å; V155-A158 PolarHBondContact O-N 2.88Å; V155-T159 WeakPolarHBondContact O-CB 3.46Å; V155-T159 PolarHBondContact O-N 2.7Å; V155-T159 PolarHBondContact O-OG1 3.15Å; V155-V173 HydrophobicContact CG1-CG1 3.52Å; V155-V173 HydrophobicContact CG1-CG2 4.42Å; V155-I178 HydrophobicContact CG1-CD1 4.14Å; V155-I178 HydrophobicContact CG1-CG1 4.14Å |
| 156 | A | 92.1 | Very high | 90.2 | Very high | 61 Ų | 61 | 56.7 Ų | 56.7 | 50% | 0.504 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.3 | -39.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A154 R160 | A154-A156 VanDerWaalsContact C-N 3.34Å; A154-A156 PolarHBondContact O-N 2.83Å; A156-R160 WeakPolarHBondContact O-CG 3.38Å; A156-R160 PolarHBondContact O-N 2.96Å; A156-R160 VanDerWaalsContact O-N 3.16Å |
| 157 | A | 92.6 | Very high | 89.5 | Confident | 22 Ų | 22 | 58.2 Ų | 58.2 | 18% | 0.182 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.2 | -44.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V121 S122 A154 T159 R160 A161 | V121-A157 HydrophobicContact CG1-CB 3.67Å; S122-A157 WeakPolarHBondContact O-CB 3.42Å; A154-A157 PolarHBondContact O-N 3.13Å; A157-T159 VanDerWaalsContact C-N 3.34Å; A157-T159 PolarHBondContact O-N 2.97Å; A157-R160 PolarHBondContact O-N 2.85Å; A157-A161 WeakPolarHBondContact O-CB 3.15Å; A157-A161 PolarHBondContact O-N 2.95Å |
| 158 | A | 91.9 | Very high | 89 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.9 | -41.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V121 L130 M148 A154 V155 R160 A161 L162 I178 | V121-A158 HydrophobicContact CG1-CB 4.31Å; V121-A158 HydrophobicContact CG2-CB 4.26Å; L130-A158 HydrophobicContact CD1-CB 3.89Å; M148-A158 HydrophobicContact CE-CB 4.21Å; A154-A158 WeakPolarHBondContact O-CB 3.34Å; A154-A158 PolarHBondContact O-N 2.89Å; V155-A158 PolarHBondContact O-N 2.88Å; A158-R160 PolarHBondContact O-N 3.07Å; A158-A161 PolarHBondContact O-N 2.73Å; A158-L162 WeakPolarHBondContact O-CB 3.3Å; A158-L162 VanDerWaalsContact O-CG 3.29Å; A158-L162 WeakPolarHBondContact O-CG 3.36Å; A158-L162 PolarHBondContact O-N 3.42Å; A158-I178 HydrophobicContact CB-CD1 3.88Å |
| 159 | T | 92.5 | Very high | 88.8 | Confident | 17 Ų | 17 | 65.3 Ų | 65.3 | 10% | 0.104 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.1 | -42.7 | 176.6 | -57.2 | 0 | 0 | 0 | 0 | 111.7 | V155 A157 R163 P171 V173 | V155-T159 WeakPolarHBondContact O-CB 3.46Å; V155-T159 PolarHBondContact O-N 2.7Å; V155-T159 PolarHBondContact O-OG1 3.15Å; A157-T159 VanDerWaalsContact C-N 3.34Å; A157-T159 PolarHBondContact O-N 2.97Å; T159-R163 PolarHBondContact O-N 2.63Å; T159-P171 HydrophobicContact CG2-CB 4.26Å; T159-P171 HydrophobicContact CG2-CG 3.64Å; T159-V173 HydrophobicContact CG2-CG2 3.95Å; T159-V173 VanDerWaalsContact OG1-CG2 3.29Å; T159-V173 WeakPolarHBondContact OG1-CG2 3.36Å |
| 160 | R | 91.5 | Very high | 88.8 | Confident | 168 Ų | 168 | 66 Ų | 66 | 63% | 0.634 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -65.8 | -47.7 | 175.3 | -70.1 | 178.3 | -174.3 | -167 | 2.1 | 111.5 | A156 A157 A158 L162 R163 E164 | A156-R160 WeakPolarHBondContact O-CG 3.38Å; A156-R160 PolarHBondContact O-N 2.96Å; A156-R160 VanDerWaalsContact O-N 3.16Å; A157-R160 PolarHBondContact O-N 2.85Å; A158-R160 PolarHBondContact O-N 3.07Å; R160-L162 VanDerWaalsContact C-N 3.31Å; R160-L162 PolarHBondContact O-N 3.49Å; R160-R163 PolarHBondContact O-N 3.09Å; R160-R163 VanDerWaalsContact O-N 3.1Å; R160-E164 WeakPolarHBondContact O-CG 3.45Å; R160-E164 PolarHBondContact O-N 3.39Å |
| 161 | A | 91.9 | Very high | 89.1 | Confident | 13 Ų | 13 | 63.7 Ų | 63.7 | 11% | 0.107 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.2 | -40.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I119 V121 A157 A158 R163 E164 S165 | I119-A161 HydrophobicContact CG2-CB 3.97Å; V121-A161 HydrophobicContact CB-CB 4.45Å; V121-A161 HydrophobicContact CG2-CB 4.02Å; A157-A161 WeakPolarHBondContact O-CB 3.15Å; A157-A161 PolarHBondContact O-N 2.95Å; A158-A161 PolarHBondContact O-N 2.73Å; A161-R163 PolarHBondContact O-N 2.89Å; A161-E164 PolarHBondContact O-N 3.29Å; A161-S165 WeakPolarHBondContact O-CB 3.35Å; A161-S165 PolarHBondContact O-N 3.31Å |
| 162 | L | 90.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.9 | -39.8 | 175.5 | -76.8 | 165.3 | 0 | 0 | 0 | 112.3 | L116 I119 L130 A158 R160 S165 P171 I178 V180 | L116-L162 HydrophobicContact CD1-CD2 4.38Å; L116-L162 HydrophobicContact CD2-CD2 4.03Å; I119-L162 HydrophobicContact CD1-CD2 3.68Å; L130-L162 HydrophobicContact CD2-CD2 4Å; L130-L162 HydrophobicContact CD2-CG 4.42Å; A158-L162 WeakPolarHBondContact O-CB 3.3Å; A158-L162 VanDerWaalsContact O-CG 3.29Å; A158-L162 WeakPolarHBondContact O-CG 3.36Å; A158-L162 PolarHBondContact O-N 3.42Å; R160-L162 VanDerWaalsContact C-N 3.31Å; R160-L162 PolarHBondContact O-N 3.49Å; L162-S165 PolarHBondContact O-OG 3.46Å; L162-P171 HydrophobicContact CB-CB 4.5Å; L162-P171 HydrophobicContact CB-CG 4.14Å; L162-P171 HydrophobicContact CD1-CB 4.21Å; L162-I178 HydrophobicContact CD1-CG2 4.06Å; L162-V180 HydrophobicContact CD1-CG2 3.96Å |
| 163 | R | 91 | Very high | 89.6 | Confident | 139 Ų | 139 | 64.7 Ų | 64.7 | 53% | 0.525 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -71.9 | -38.5 | 178.6 | -170 | 180 | -68.8 | 155.9 | -0.7 | 112.7 | T159 R160 A161 S165 | T159-R163 PolarHBondContact O-N 2.63Å; R160-R163 PolarHBondContact O-N 3.09Å; R160-R163 VanDerWaalsContact O-N 3.1Å; A161-R163 PolarHBondContact O-N 2.89Å; R163-S165 VanDerWaalsContact C-N 3.35Å |
| 164 | E | 89.3 | Confident | 89.7 | Confident | 158 Ų | 158 | 61.7 Ų | 61.7 | 74% | 0.738 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -81.5 | -14.4 | 179.3 | -69.7 | 172 | -165.5 | 0 | 0 | 113.2 | R160 A161 | R160-E164 WeakPolarHBondContact O-CG 3.45Å; R160-E164 PolarHBondContact O-N 3.39Å; A161-E164 PolarHBondContact O-N 3.29Å |
| 165 | S | 86.1 | Confident | 89.7 | Confident | 16 Ų | 16 | 64.7 Ų | 64.7 | 11% | 0.112 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -58.5 | 161.3 | 179 | 75.7 | 0 | 0 | 0 | 0 | 112.8 | A161 L162 R163 M167 K168 | A161-S165 WeakPolarHBondContact O-CB 3.35Å; A161-S165 PolarHBondContact O-N 3.31Å; L162-S165 PolarHBondContact O-OG 3.46Å; R163-S165 VanDerWaalsContact C-N 3.35Å; S165-M167 PolarHBondContact O-N 2.94Å; S165-M167 PolarHBondContact OG-N 2.96Å; S165-K168 PolarHBondContact O-N 3.02Å |
| 166 | S | 79.8 | Confident | 89.7 | Confident | 99 Ų | 99 | 66.6 Ų | 66.6 | 69% | 0.692 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -16.4 | 174.9 | 65.4 | 0 | 0 | 0 | 0 | 114.4 | R110 | R110-S166 PolarHBondContact NH1-OG 3.5Š|
| 167 | M | 78.7 | Confident | 89.7 | Confident | 32 Ų | 32 | 66.4 Ų | 66.4 | 16% | 0.158 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -13.5 | -179.7 | -64.1 | -176.1 | 59.4 | 0 | 0 | 113.8 | R110 A115 L116 S165 L169 | R110-M167 HydrophobicContact CB-CE 3.58Å; R110-M167 HydrophobicContact CB-SD 4.09Å; R110-M167 WeakPolarHBondContact O-CE 3.29Å; A115-M167 HydrophobicContact CB-SD 4.18Å; L116-M167 HydrophobicContact CD2-SD 4.23Å; S165-M167 PolarHBondContact O-N 2.94Å; S165-M167 PolarHBondContact OG-N 2.96Å; M167-L169 VanDerWaalsContact C-N 3.27Å; M167-L169 HydrophobicContact CB-CD1 3.97Å; M167-L169 HydrophobicContact CB-CD2 4.04Å; M167-L169 HydrophobicContact CB-CG 3.68Å; M167-L169 HydrophobicContact CE-CD1 3.91Å; M167-L169 HydrophobicContact CE-CD2 4.2Å; M167-L169 HydrophobicContact CE-CG 4.43Å; M167-L169 PolarHBondContact O-N 3.48Å; M167-L169 HydrophobicContact SD-CD1 4.43Å |
| 168 | K | 82.6 | Confident | 89.8 | Confident | 180 Ų | 180 | 65.3 Ų | 65.3 | 78% | 0.783 | 34% | 0.338 | S | S | * | . | trans | 44.6 | 50.4 | 178.6 | -61.1 | -174.1 | 177.2 | -176 | 0 | 113.1 | S165 | S165-K168 PolarHBondContact O-N 3.02Š| ||
| 169 | L | 86.8 | Confident | 89.9 | Confident | 9 Ų | 9 | 69.2 Ų | 69.2 | 5% | 0.047 | 35% | 0.353 | C | S | . | . | trans | -80.3 | 157.9 | -176.2 | -57.6 | 172.8 | 0 | 0 | 0 | 110.8 | L116 M167 P171 V180 | L116-L169 HydrophobicContact CD2-CD1 3.72Å; M167-L169 VanDerWaalsContact C-N 3.27Å; M167-L169 HydrophobicContact CB-CD1 3.97Å; M167-L169 HydrophobicContact CB-CD2 4.04Å; M167-L169 HydrophobicContact CB-CG 3.68Å; M167-L169 HydrophobicContact CE-CD1 3.91Å; M167-L169 HydrophobicContact CE-CD2 4.2Å; M167-L169 HydrophobicContact CE-CG 4.43Å; M167-L169 PolarHBondContact O-N 3.48Å; M167-L169 HydrophobicContact SD-CD1 4.43Å; L169-P171 WeakPolarHBondContact O-CD 3.45Å; L169-V180 HydrophobicContact CB-CG1 3.84Å; L169-V180 HydrophobicContact CD1-CG1 3.44Å; L169-V180 VanDerWaalsContact CD1-CG1 3.44Å; L169-V180 HydrophobicContact CG-CG1 4.16Å | ||
| 170 | N | 89.9 | Confident | 89.8 | Confident | 119 Ų | 119 | 68.4 Ų | 68.4 | 64% | 0.636 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104 | 92.7 | 172.8 | -171.4 | 38.1 | 0 | 0 | 0 | 110.5 | ||
| 171 | P | 92.2 | Very high | 89.7 | Confident | 8 Ų | 8 | 63.4 Ų | 63.4 | 5% | 0.052 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 136.4 | 175.2 | 29.4 | -34.9 | 0 | 0 | 0 | 111.9 | T159 L162 L169 I178 R179 V180 | T159-P171 HydrophobicContact CG2-CB 4.26Å; T159-P171 HydrophobicContact CG2-CG 3.64Å; L162-P171 HydrophobicContact CB-CB 4.5Å; L162-P171 HydrophobicContact CB-CG 4.14Å; L162-P171 HydrophobicContact CD1-CB 4.21Å; L169-P171 WeakPolarHBondContact O-CD 3.45Å; P171-I178 HydrophobicContact CB-CG2 3.67Å; P171-R179 CarbonylContact C-O 3.34Å; P171-R179 WeakPolarHBondContact CA-O 3.5Å; P171-V180 HydrophobicContact CB-CG2 4.35Å |
| 172 | E | 93.4 | Very high | 89.5 | Confident | 121 Ų | 121 | 63.2 Ų | 63.2 | 57% | 0.565 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 134.6 | 169 | -178 | 177.9 | -165.9 | 0 | 0 | 108.7 | I178 R179 | E172-I178 CarbonylContact O-C 3.57Å; E172-I178 WeakPolarHBondContact O-CA 3.47Å; E172-R179 HydrophobicContact CB-CB 4.38Å; E172-R179 PolarHBondContact N-O 3.46Å; E172-R179 PolarHBondContact O-N 3.07Å |
| 173 | V | 94.3 | Very high | 89 | Confident | 63 Ų | 63 | 67.6 Ų | 67.6 | 38% | 0.382 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 127.5 | -173.7 | -178.7 | 0 | 0 | 0 | 0 | 109.7 | V155 T159 | V155-V173 HydrophobicContact CG1-CG1 3.52Å; V155-V173 HydrophobicContact CG1-CG2 4.42Å; T159-V173 HydrophobicContact CG2-CG2 3.95Å; T159-V173 VanDerWaalsContact OG1-CG2 3.29Å; T159-V173 WeakPolarHBondContact OG1-CG2 3.36Å |
| 174 | D | 92.4 | Very high | 88.6 | Confident | 58 Ų | 58 | 68.5 Ų | 68.5 | 31% | 0.31 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 80.7 | 177 | -62.7 | -91.4 | 0 | 0 | 0 | 109.7 | T176 I177 R179 | D174-T176 PolarHBondContact O-N 3.1Å; D174-I177 HydrophobicContact CB-CB 4.5Å; D174-I177 PolarHBondContact N-O 3.41Å; D174-I177 PolarHBondContact O-N 2.96Å; D174-R179 VanDerWaalsContact CG-CZ 3.48Å; D174-R179 IonicContact OD1-CZ 3.39Å; D174-R179 IonicContact OD1-NE 3.64Å; D174-R179 IonicContact OD1-NH2 3.98Å; D174-R179 PolarHBondContact OD1-NH2 2.92Å; D174-R179 IonicContact OD2-CZ 3.46Å; D174-R179 IonicContact OD2-NE 2.84Å; D174-R179 PolarHBondContact OD2-NE 3.47Å; D174-R179 IonicContact OD2-NH2 3.59Å; D174-R179 PolarHBondContact OD2-NH2 3.15Å |
| 175 | G | 91.4 | Very high | 88.3 | Confident | 63 Ų | 63 | 62.9 Ų | 62.9 | 65% | 0.649 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62 | -107.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 176 | T | 91.6 | Very high | 88.5 | Confident | 53 Ų | 53 | 66.3 Ų | 66.3 | 33% | 0.325 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -0.7 | 179.8 | 59.3 | 0 | 0 | 0 | 0 | 113.9 | M148 P152 D174 | M148-T176 PolarHBondContact N-O 3.37Å; P152-T176 HydrophobicContact CB-CG2 4.16Å; D174-T176 PolarHBondContact O-N 3.1Å |
| 177 | I | 93.8 | Very high | 88.9 | Confident | 56 Ų | 56 | 70.7 Ų | 70.7 | 29% | 0.287 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 130.3 | -177.2 | -58.8 | 179.4 | 0 | 0 | 0 | 108.9 | V145 D174 | V145-I177 HydrophobicContact CG1-CG2 3.31Å; D174-I177 HydrophobicContact CB-CB 4.5Å; D174-I177 PolarHBondContact N-O 3.41Å; D174-I177 PolarHBondContact O-N 2.96Å |
| 178 | I | 94.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 119.6 | 175.3 | -52.8 | 172.5 | 0 | 0 | 0 | 108.4 | V145 V146 M148 V155 A158 L162 P171 E172 V180 | V145-I178 WeakPolarHBondContact CA-O 3.48Å; V146-I178 HydrophobicContact CB-CB 4.29Å; V146-I178 PolarHBondContact N-O 3.42Å; V146-I178 PolarHBondContact O-N 3.29Å; M148-I178 HydrophobicContact CG-CD1 3.96Å; M148-I178 HydrophobicContact CG-CG1 4.45Å; V155-I178 HydrophobicContact CG1-CD1 4.14Å; V155-I178 HydrophobicContact CG1-CG1 4.14Å; A158-I178 HydrophobicContact CB-CD1 3.88Å; L162-I178 HydrophobicContact CD1-CG2 4.06Å; P171-I178 HydrophobicContact CB-CG2 3.67Å; E172-I178 CarbonylContact O-C 3.57Å; E172-I178 WeakPolarHBondContact O-CA 3.47Å; I178-V180 HydrophobicContact CG2-CG2 4.13Å |
| 179 | R | 93.3 | Very high | 89.8 | Confident | 82 Ų | 82 | 71.7 Ų | 71.7 | 31% | 0.309 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 126.6 | 173 | -55.6 | -172.7 | -131.6 | -97.6 | 5.2 | 109.3 | L143 P171 E172 D174 | L143-R179 HydrophobicContact CD2-CB 4.45Å; P171-R179 CarbonylContact C-O 3.34Å; P171-R179 WeakPolarHBondContact CA-O 3.5Å; E172-R179 HydrophobicContact CB-CB 4.38Å; E172-R179 PolarHBondContact N-O 3.46Å; E172-R179 PolarHBondContact O-N 3.07Å; D174-R179 VanDerWaalsContact CG-CZ 3.48Å; D174-R179 IonicContact OD1-CZ 3.39Å; D174-R179 IonicContact OD1-NE 3.64Å; D174-R179 IonicContact OD1-NH2 3.98Å; D174-R179 PolarHBondContact OD1-NH2 2.92Å; D174-R179 IonicContact OD2-CZ 3.46Å; D174-R179 IonicContact OD2-NE 2.84Å; D174-R179 PolarHBondContact OD2-NE 3.47Å; D174-R179 IonicContact OD2-NH2 3.59Å; D174-R179 PolarHBondContact OD2-NH2 3.15Å |
| 180 | V | 91.8 | Very high | 90 | Very high | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 109 | 179.7 | -174.5 | 0 | 0 | 0 | 0 | 108.3 | I144 L162 L169 P171 I178 | I144-V180 HydrophobicContact CB-CB 4.46Å; I144-V180 PolarHBondContact N-O 3.44Å; I144-V180 PolarHBondContact O-N 2.92Å; L162-V180 HydrophobicContact CD1-CG2 3.96Å; L169-V180 HydrophobicContact CB-CG1 3.84Å; L169-V180 HydrophobicContact CD1-CG1 3.44Å; L169-V180 VanDerWaalsContact CD1-CG1 3.44Å; L169-V180 HydrophobicContact CG-CG1 4.16Å; P171-V180 HydrophobicContact CB-CG2 4.35Å; I178-V180 HydrophobicContact CG2-CG2 4.13Å |
| 181 | A | 88.9 | Confident | 90.1 | Very high | 62 Ų | 62 | 72.3 Ų | 72.3 | 51% | 0.512 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 120 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q142 | Q142-A181 CarbonylContact O-C 3.47Å; Q142-A181 WeakPolarHBondContact O-CA 3.44Å |
| 182 | I | 86.3 | Confident | 90.2 | Very high | 10 Ų | 10 | 75.8 Ų | 75.8 | 5% | 0.051 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -95.3 | 122.3 | 176.4 | -62.2 | -176.1 | 0 | 0 | 0 | 109.1 | T111 Q142 I144 | T111-I182 HydrophobicContact CG2-CG2 3.95Å; Q142-I182 PolarHBondContact O-N 3.41Å; I144-I182 HydrophobicContact CD1-CD1 3.36Å; I144-I182 HydrophobicContact CD1-CG1 4.43Å; I144-I182 HydrophobicContact CG1-CD1 3.86Å |
| 183 | P | 82.1 | Confident | 90.1 | Very high | 91 Ų | 91 | 70.6 Ų | 70.6 | 59% | 0.591 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 146.9 | 175.5 | 26.8 | -33.2 | 0 | 0 | 0 | 110.8 | V185 | P183-V185 PolarHBondContact O-N 3.5Š|
| 184 | K | 82.6 | Confident | 90.1 | Very high | 158 Ų | 158 | 68.3 Ų | 68.3 | 69% | 0.687 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 130.1 | 176 | -64.2 | -177.7 | -177.9 | 176.9 | 0 | 109.8 | Q142 T186 | Q142-K184 HydrophobicContact CG-CG 4.36Å; K184-T186 PolarHBondContact O-N 2.87Å |
| 185 | V | 83.1 | Confident | 90.2 | Very high | 41 Ų | 41 | 71.4 Ų | 71.4 | 25% | 0.248 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 123.3 | 173.6 | -174.1 | 0 | 0 | 0 | 0 | 108.8 | I109 T111 P183 H189 R190 | I109-V185 HydrophobicContact CG2-CG2 3.94Å; T111-V185 HydrophobicContact CG2-CG2 3.92Å; P183-V185 PolarHBondContact O-N 3.5Å; V185-H189 HydrophobicContact CG1-CB 3.89Å; V185-H189 VanDerWaalsContact CG1-CD2 3.42Å; V185-H189 WeakPolarHBondContact CG1-CD2 3.48Å; V185-R190 HydrophobicContact CG1-CG 3.99Å |
| 186 | T | 88.7 | Confident | 90.3 | Very high | 87 Ų | 87 | 71.6 Ų | 71.6 | 53% | 0.534 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 154.3 | 178.5 | 61.3 | 0 | 0 | 0 | 0 | 111.3 | K184 E188 H189 R190 | K184-T186 PolarHBondContact O-N 2.87Å; T186-E188 VanDerWaalsContact C-N 3.27Å; T186-E188 PolarHBondContact O-N 3.01Å; T186-H189 PolarHBondContact O-N 3.09Å; T186-H189 VanDerWaalsContact O-N 3.16Å; T186-H189 PolarHBondContact OG1-N 3.2Å; T186-R190 PolarHBondContact O-N 3.36Å |
| 187 | R | 89.6 | Confident | 90.5 | Very high | 191 Ų | 191 | 69 Ų | 69 | 72% | 0.721 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -58.2 | -41 | 176.1 | -178.1 | 177.2 | 170.6 | 164.4 | 3 | 111.8 | H189 R190 E191 | R187-H189 VanDerWaalsContact C-N 3.29Å; R187-H189 PolarHBondContact O-N 3.49Å; R187-R190 WeakPolarHBondContact O-CB 3.36Å; R187-R190 PolarHBondContact O-N 2.89Å; R187-R190 VanDerWaalsContact O-N 3.16Å; R187-E191 HydrophobicContact CG-CG 4.38Å; R187-E191 IonicContact CZ-OE1 2.96Å; R187-E191 IonicContact NE-OE1 2.75Å; R187-E191 PolarHBondContact NE-OE1 3.25Å; R187-E191 IonicContact NH2-OE1 2.63Å; R187-E191 WeakPolarHBondContact O-CG 3.34Å; R187-E191 PolarHBondContact O-N 3.43Å |
| 188 | E | 90.6 | Very high | 90.6 | Very high | 145 Ų | 145 | 72.7 Ų | 72.7 | 68% | 0.678 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -57.3 | -41.1 | 176.8 | -63.1 | 176.6 | -176.6 | 0 | 0 | 112.2 | T186 E191 N192 | T186-E188 VanDerWaalsContact C-N 3.27Å; T186-E188 PolarHBondContact O-N 3.01Å; E188-E191 PolarHBondContact O-N 3.39Å; E188-N192 PolarHBondContact O-N 3.04Å; E188-N192 PolarHBondContact O-ND2 2.98Å |
| 189 | H | 89.6 | Confident | 90.7 | Very high | 89 Ų | 89 | 77.8 Ų | 77.8 | 41% | 0.412 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.5 | -43.8 | 176.9 | -172.7 | 75.3 | 0 | 0 | 0 | 111.7 | V185 T186 R187 E191 N192 L193 | V185-H189 HydrophobicContact CG1-CB 3.89Å; V185-H189 VanDerWaalsContact CG1-CD2 3.42Å; V185-H189 WeakPolarHBondContact CG1-CD2 3.48Å; T186-H189 PolarHBondContact O-N 3.09Å; T186-H189 VanDerWaalsContact O-N 3.16Å; T186-H189 PolarHBondContact OG1-N 3.2Å; R187-H189 VanDerWaalsContact C-N 3.29Å; R187-H189 PolarHBondContact O-N 3.49Å; H189-E191 VanDerWaalsContact C-N 3.33Å; H189-E191 PolarHBondContact O-N 3.02Å; H189-N192 PolarHBondContact O-N 3.02Å; H189-L193 WeakPolarHBondContact O-CG 3.45Å; H189-L193 PolarHBondContact O-N 3.31Å |
| 190 | R | 90.7 | Very high | 90.8 | Very high | 72 Ų | 72 | 75.2 Ų | 75.2 | 27% | 0.272 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.4 | -41.7 | 175.1 | -68.1 | 179.5 | 174.1 | -148 | -3.6 | 112 | V185 T186 R187 N192 L193 A194 L260 L261 G262 | V185-R190 HydrophobicContact CG1-CG 3.99Å; T186-R190 PolarHBondContact O-N 3.36Å; R187-R190 WeakPolarHBondContact O-CB 3.36Å; R187-R190 PolarHBondContact O-N 2.89Å; R187-R190 VanDerWaalsContact O-N 3.16Å; R190-N192 VanDerWaalsContact C-N 3.34Å; R190-N192 PolarHBondContact O-N 2.87Å; R190-L193 PolarHBondContact O-N 3.5Å; R190-A194 PolarHBondContact O-N 3.44Å; R190-L260 WeakPolarHBondContact CB-O 3.39Å; R190-L260 WeakPolarHBondContact CD-O 3.29Å; R190-L261 HydrophobicContact CB-CD2 4.45Å; R190-G262 PolarHBondContact NH1-OXT 2.92Å |
| 191 | E | 92.4 | Very high | 91 | Very high | 69 Ų | 69 | 75.2 Ų | 75.2 | 32% | 0.322 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.5 | -37.4 | 175.6 | -72.1 | 177.4 | -174.7 | 0 | 0 | 112.1 | R187 E188 H189 A194 K195 L261 | R187-E191 HydrophobicContact CG-CG 4.38Å; R187-E191 IonicContact CZ-OE1 2.96Å; R187-E191 IonicContact NE-OE1 2.75Å; R187-E191 PolarHBondContact NE-OE1 3.25Å; R187-E191 IonicContact NH2-OE1 2.63Å; R187-E191 WeakPolarHBondContact O-CG 3.34Å; R187-E191 PolarHBondContact O-N 3.43Å; E188-E191 PolarHBondContact O-N 3.39Å; H189-E191 VanDerWaalsContact C-N 3.33Å; H189-E191 PolarHBondContact O-N 3.02Å; E191-A194 PolarHBondContact O-N 3.29Å; E191-K195 WeakPolarHBondContact O-CG 3.42Å; E191-K195 PolarHBondContact O-N 3.45Å; E191-L261 HydrophobicContact CG-CD2 4.26Å |
| 192 | N | 92.6 | Very high | 91.3 | Very high | 80 Ų | 80 | 76.7 Ų | 76.7 | 43% | 0.428 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.6 | -40.9 | 174.5 | -69.8 | -24 | 0 | 0 | 0 | 112.1 | E188 H189 R190 A194 K195 L196 | E188-N192 PolarHBondContact O-N 3.04Å; E188-N192 PolarHBondContact O-ND2 2.98Å; H189-N192 PolarHBondContact O-N 3.02Å; R190-N192 VanDerWaalsContact C-N 3.34Å; R190-N192 PolarHBondContact O-N 2.87Å; N192-A194 VanDerWaalsContact C-N 3.33Å; N192-A194 PolarHBondContact O-N 3.01Å; N192-K195 WeakPolarHBondContact O-CB 3.33Å; N192-K195 PolarHBondContact O-N 2.82Å; N192-L196 WeakPolarHBondContact O-CG 3.5Å; N192-L196 PolarHBondContact O-N 2.93Å |
| 193 | L | 92.4 | Very high | 91.8 | Very high | 12 Ų | 12 | 82.4 Ų | 82.4 | 6% | 0.063 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 172.1 | -66.1 | 177.6 | 0 | 0 | 0 | 111.5 | L107 H189 R190 K195 L196 A197 L260 | L107-L193 WeakPolarHBondContact CD2-O 3.28Å; H189-L193 WeakPolarHBondContact O-CG 3.45Å; H189-L193 PolarHBondContact O-N 3.31Å; R190-L193 PolarHBondContact O-N 3.5Å; L193-K195 VanDerWaalsContact C-N 3.33Å; L193-K195 PolarHBondContact O-N 3.48Å; L193-L196 HydrophobicContact CD2-CD1 4.43Å; L193-L196 WeakPolarHBondContact O-CB 3.48Å; L193-L196 PolarHBondContact O-N 2.75Å; L193-A197 PolarHBondContact O-N 3.39Å; L193-L260 HydrophobicContact CB-CD1 3.99Å; L193-L260 HydrophobicContact CB-CD2 3.94Å; L193-L260 HydrophobicContact CD1-CD2 3.91Å |
| 194 | A | 93.8 | Very high | 92.5 | Very high | 16 Ų | 16 | 78.4 Ų | 78.4 | 13% | 0.132 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.1 | -37.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | R190 E191 N192 A197 K198 T257 L261 | R190-A194 PolarHBondContact O-N 3.44Å; E191-A194 PolarHBondContact O-N 3.29Å; N192-A194 VanDerWaalsContact C-N 3.33Å; N192-A194 PolarHBondContact O-N 3.01Å; A194-A197 WeakPolarHBondContact O-CB 3.46Å; A194-A197 PolarHBondContact O-N 3.36Å; A194-K198 PolarHBondContact O-N 3.48Å; A194-K198 VanDerWaalsContact O-N 3.15Å; A194-T257 HydrophobicContact CB-CG2 4.41Å; A194-L261 HydrophobicContact CB-CD1 4.48Å; A194-L261 HydrophobicContact CB-CD2 4.26Å; A194-L261 HydrophobicContact CB-CG 4.36Å |
| 195 | K | 94.3 | Very high | 93.2 | Very high | 122 Ų | 122 | 73.5 Ų | 73.5 | 53% | 0.53 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63 | -43.8 | 172.6 | -70.2 | 169.6 | -169.9 | 165.6 | 0 | 111.5 | E191 N192 L193 K198 Q199 | E191-K195 WeakPolarHBondContact O-CG 3.42Å; E191-K195 PolarHBondContact O-N 3.45Å; N192-K195 WeakPolarHBondContact O-CB 3.33Å; N192-K195 PolarHBondContact O-N 2.82Å; L193-K195 VanDerWaalsContact C-N 3.33Å; L193-K195 PolarHBondContact O-N 3.48Å; K195-K198 WeakPolarHBondContact O-CB 3.44Å; K195-K198 PolarHBondContact O-N 3.02Å; K195-Q199 PolarHBondContact O-N 3.2Å; K195-Q199 VanDerWaalsContact O-N 3.12Å |
| 196 | L | 94.9 | Very high | 93.8 | Very high | 67 Ų | 67 | 75.3 Ų | 75.3 | 35% | 0.351 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.4 | -41.8 | 175.5 | -69.2 | 174 | 0 | 0 | 0 | 111.7 | L107 N192 L193 K198 Q199 F200 | L107-L196 HydrophobicContact CD2-CB 3.87Å; N192-L196 WeakPolarHBondContact O-CG 3.5Å; N192-L196 PolarHBondContact O-N 2.93Å; L193-L196 HydrophobicContact CD2-CD1 4.43Å; L193-L196 WeakPolarHBondContact O-CB 3.48Å; L193-L196 PolarHBondContact O-N 2.75Å; L196-K198 VanDerWaalsContact C-N 3.26Å; L196-K198 PolarHBondContact O-N 3.16Å; L196-Q199 WeakPolarHBondContact O-CA 3.26Å; L196-Q199 WeakPolarHBondContact O-CB 3.41Å; L196-Q199 PolarHBondContact O-N 3.42Å; L196-F200 HydrophobicContact CB-CE2 4.48Å; L196-F200 WeakPolarHBondContact O-CD2 3.27Å; L196-F200 PolarHBondContact O-N 3.28Å |
| 197 | A | 95.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -55.7 | -43.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | L107 L193 A194 Q199 F200 G201 L260 | L107-A197 HydrophobicContact CD1-CB 3.5Å; L107-A197 VanDerWaalsContact CD1-CB 3.5Å; L107-A197 HydrophobicContact CD2-CB 4.18Å; L107-A197 HydrophobicContact CG-CB 4.5Å; L193-A197 PolarHBondContact O-N 3.39Å; A194-A197 WeakPolarHBondContact O-CB 3.46Å; A194-A197 PolarHBondContact O-N 3.36Å; A197-Q199 VanDerWaalsContact C-N 3.35Å; A197-Q199 PolarHBondContact O-N 3.37Å; A197-F200 PolarHBondContact O-N 2.92Å; A197-G201 PolarHBondContact O-N 3.45Å; A197-L260 HydrophobicContact CB-CD1 4.25Å |
| 198 | K | 95.4 | Very high | 94.5 | Very high | 133 Ų | 133 | 64.6 Ų | 64.6 | 58% | 0.578 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -64.2 | -38 | 175.6 | -170.2 | 173.8 | -179.1 | 178.3 | 0 | 112.3 | A194 K195 L196 G201 N202 | A194-K198 PolarHBondContact O-N 3.48Å; A194-K198 VanDerWaalsContact O-N 3.15Å; K195-K198 WeakPolarHBondContact O-CB 3.44Å; K195-K198 PolarHBondContact O-N 3.02Å; L196-K198 VanDerWaalsContact C-N 3.26Å; L196-K198 PolarHBondContact O-N 3.16Å; K198-G201 PolarHBondContact O-N 2.95Å; K198-N202 VanDerWaalsContact O-CG 3.23Å; K198-N202 PolarHBondContact O-N 3.38Å; K198-N202 PolarHBondContact O-ND2 2.95Å |
| 199 | Q | 96.3 | Very high | 94.8 | Very high | 107 Ų | 107 | 64.4 Ų | 64.4 | 50% | 0.5 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.8 | -45 | 175.6 | -68 | 178.1 | -7.9 | 0 | 0 | 111.9 | K195 L196 A197 N202 K203 | K195-Q199 PolarHBondContact O-N 3.2Å; K195-Q199 VanDerWaalsContact O-N 3.12Å; L196-Q199 WeakPolarHBondContact O-CA 3.26Å; L196-Q199 WeakPolarHBondContact O-CB 3.41Å; L196-Q199 PolarHBondContact O-N 3.42Å; A197-Q199 VanDerWaalsContact C-N 3.35Å; A197-Q199 PolarHBondContact O-N 3.37Å; Q199-N202 PolarHBondContact O-N 3.45Å; Q199-K203 WeakPolarHBondContact O-CG 3.39Å; Q199-K203 PolarHBondContact O-N 3.49Å |
| 200 | F | 95.8 | Very high | 95.1 | Very high | 28 Ų | 28 | 67.4 Ų | 67.4 | 12% | 0.123 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.9 | -41.7 | 175.5 | -72.1 | -63.4 | 0 | 0 | 0 | 112.2 | D102 F103 N106 L196 A197 N202 K203 A204 | D102-F200 HydrophobicContact CB-CD1 3.93Å; D102-F200 HydrophobicContact CB-CE1 4.14Å; D102-F200 HydrophobicContact CB-CG 4.32Å; F103-F200 HydrophobicContact CD1-CB 4.31Å; F103-F200 HydrophobicContact CE1-CB 3.82Å; N106-F200 HydrophobicContact CB-CE2 3.84Å; N106-F200 HydrophobicContact CB-CZ 4.07Å; L196-F200 HydrophobicContact CB-CE2 4.48Å; L196-F200 WeakPolarHBondContact O-CD2 3.27Å; L196-F200 PolarHBondContact O-N 3.28Å; A197-F200 PolarHBondContact O-N 2.92Å; F200-N202 VanDerWaalsContact C-N 3.31Å; F200-N202 PolarHBondContact O-N 3.46Å; F200-K203 HydrophobicContact CD1-CD 4.43Å; F200-K203 WeakPolarHBondContact O-CB 3.48Å; F200-K203 PolarHBondContact O-N 2.8Å; F200-K203 VanDerWaalsContact O-N 3.16Å; F200-A204 PolarHBondContact O-N 3.2Å |
| 201 | G | 95.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.2 | -41.8 | 173 | 0 | 0 | 0 | 0 | 0 | 113.1 | A197 K198 A204 K205 | A197-G201 PolarHBondContact O-N 3.45Å; K198-G201 PolarHBondContact O-N 2.95Å; G201-A204 PolarHBondContact O-N 2.97Å; G201-K205 WeakPolarHBondContact O-CG 3.37Å; G201-K205 PolarHBondContact O-N 3.39Å |
| 202 | N | 96.1 | Very high | 95.4 | Very high | 92 Ų | 92 | 65.8 Ų | 65.8 | 49% | 0.492 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.9 | -41.2 | 175.1 | -70.4 | -19.7 | 0 | 0 | 0 | 112.1 | K198 Q199 F200 K205 E206 | K198-N202 VanDerWaalsContact O-CG 3.23Å; K198-N202 PolarHBondContact O-N 3.38Å; K198-N202 PolarHBondContact O-ND2 2.95Å; Q199-N202 PolarHBondContact O-N 3.45Å; F200-N202 VanDerWaalsContact C-N 3.31Å; F200-N202 PolarHBondContact O-N 3.46Å; N202-K205 PolarHBondContact O-N 2.93Å; N202-E206 WeakPolarHBondContact O-CB 3.48Å; N202-E206 PolarHBondContact O-N 2.92Å |
| 203 | K | 96.4 | Very high | 95.6 | Very high | 130 Ų | 130 | 64.7 Ų | 64.7 | 57% | 0.565 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -60.8 | -45.8 | 175.6 | -73.3 | 177 | 178 | -179.6 | 0 | 111.7 | Q199 F200 K205 E206 S207 | Q199-K203 WeakPolarHBondContact O-CG 3.39Å; Q199-K203 PolarHBondContact O-N 3.49Å; F200-K203 HydrophobicContact CD1-CD 4.43Å; F200-K203 WeakPolarHBondContact O-CB 3.48Å; F200-K203 PolarHBondContact O-N 2.8Å; F200-K203 VanDerWaalsContact O-N 3.16Å; K203-K205 PolarHBondContact O-N 3.48Å; K203-E206 WeakPolarHBondContact O-CB 3.48Å; K203-E206 PolarHBondContact O-N 3.48Å; K203-S207 PolarHBondContact O-N 2.92Å; K203-S207 PolarHBondContact O-OG 3.35Å |
| 204 | A | 96.8 | Very high | 95.6 | Very high | 7 Ų | 7 | 69 Ų | 69 | 6% | 0.058 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.3 | -40.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V95 L99 F200 G201 E206 S207 L208 | V95-A204 HydrophobicContact CG1-CB 3.95Å; V95-A204 WeakPolarHBondContact CG1-O 3.49Å; L99-A204 HydrophobicContact CB-CB 4.26Å; L99-A204 HydrophobicContact CD1-CB 3.31Å; L99-A204 HydrophobicContact CG-CB 4.35Å; F200-A204 PolarHBondContact O-N 3.2Å; G201-A204 PolarHBondContact O-N 2.97Å; A204-E206 VanDerWaalsContact C-N 3.29Å; A204-E206 PolarHBondContact O-N 3.26Å; A204-S207 PolarHBondContact O-N 2.96Å; A204-L208 WeakPolarHBondContact O-CG 3.28Å; A204-L208 PolarHBondContact O-N 2.97Å |
| 205 | K | 96.1 | Very high | 95.6 | Very high | 56 Ų | 56 | 68.4 Ų | 68.4 | 24% | 0.243 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.6 | -38.4 | 173.5 | -74.2 | -176.7 | 179.7 | -166.8 | 0 | 112.2 | G201 N202 K203 L208 R209 V249 D250 | G201-K205 WeakPolarHBondContact O-CG 3.37Å; G201-K205 PolarHBondContact O-N 3.39Å; N202-K205 PolarHBondContact O-N 2.93Å; K203-K205 PolarHBondContact O-N 3.48Å; K205-L208 PolarHBondContact O-N 3.32Å; K205-R209 VanDerWaalsContact O-CG 3.3Å; K205-R209 WeakPolarHBondContact O-CG 3.46Å; K205-R209 PolarHBondContact O-N 3.39Å; K205-V249 HydrophobicContact CG-CG1 4.2Å; K205-D250 WeakPolarHBondContact CE-OD1 3.41Å; K205-D250 IonicContact NZ-OD1 2.98Å; K205-D250 PolarHBondContact NZ-OD1 2.75Å; K205-D250 IonicContact NZ-OD2 2.8Å; K205-D250 PolarHBondContact NZ-OD2 3.39Å |
| 206 | E | 96.9 | Very high | 95.4 | Very high | 78 Ų | 78 | 64.3 Ų | 64.3 | 36% | 0.364 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.3 | -42.7 | 175.1 | -172 | 56.7 | -154.2 | 0 | 0 | 111.6 | N202 K203 A204 L208 R209 R210 | N202-E206 WeakPolarHBondContact O-CB 3.48Å; N202-E206 PolarHBondContact O-N 2.92Å; K203-E206 WeakPolarHBondContact O-CB 3.48Å; K203-E206 PolarHBondContact O-N 3.48Å; A204-E206 VanDerWaalsContact C-N 3.29Å; A204-E206 PolarHBondContact O-N 3.26Å; E206-L208 PolarHBondContact O-N 2.86Å; E206-R209 WeakPolarHBondContact O-CB 3.47Å; E206-R209 PolarHBondContact O-N 3.41Å; E206-R209 IonicContact OE2-NH1 2.77Å; E206-R209 PolarHBondContact OE2-NH1 3.38Å; E206-R210 WeakPolarHBondContact O-CG 3.44Å; E206-R210 PolarHBondContact O-N 2.87Å; E206-R210 IonicContact OE1-NE 2.61Å |
| 207 | S | 96.9 | Very high | 95.3 | Very high | 46 Ų | 46 | 64.7 Ų | 64.7 | 32% | 0.322 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.5 | -44.4 | 172.8 | -62 | 0 | 0 | 0 | 0 | 112.5 | K203 A204 R209 R210 V211 | K203-S207 PolarHBondContact O-N 2.92Å; K203-S207 PolarHBondContact O-OG 3.35Å; A204-S207 PolarHBondContact O-N 2.96Å; S207-R209 VanDerWaalsContact C-N 3.29Å; S207-R209 PolarHBondContact O-N 2.85Å; S207-R210 WeakPolarHBondContact O-CB 3.44Å; S207-R210 PolarHBondContact O-N 2.76Å; S207-R210 VanDerWaalsContact O-N 3.09Å; S207-V211 PolarHBondContact O-N 3.04Å |
| 208 | L | 96.4 | Very high | 95 | Very high | 8 Ų | 8 | 69.3 Ų | 69.3 | 4% | 0.042 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.1 | -39.3 | 174.4 | -77.3 | 175 | 0 | 0 | 0 | 112.2 | M92 V95 A204 K205 E206 R210 V211 R212 F245 V249 | M92-L208 HydrophobicContact CB-CD2 3.95Å; M92-L208 HydrophobicContact CG-CD2 3.86Å; V95-L208 HydrophobicContact CB-CD2 4.15Å; V95-L208 HydrophobicContact CB-CG 4.39Å; V95-L208 HydrophobicContact CG1-CD2 4.26Å; V95-L208 HydrophobicContact CG1-CG 3.95Å; V95-L208 HydrophobicContact CG2-CD2 4.47Å; A204-L208 WeakPolarHBondContact O-CG 3.28Å; A204-L208 PolarHBondContact O-N 2.97Å; K205-L208 PolarHBondContact O-N 3.32Å; E206-L208 PolarHBondContact O-N 2.86Å; L208-R210 VanDerWaalsContact C-N 3.34Å; L208-V211 PolarHBondContact O-N 3.07Å; L208-R212 WeakPolarHBondContact O-CB 3.42Å; L208-R212 PolarHBondContact O-N 3.01Å; L208-F245 HydrophobicContact CD1-CB 4.24Å; L208-F245 HydrophobicContact CD2-CB 4.14Å; L208-V249 HydrophobicContact CD1-CG2 3.83Å |
| 209 | R | 95.5 | Very high | 94.7 | Very high | 140 Ų | 140 | 63 Ų | 63 | 53% | 0.528 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.5 | -39.9 | 175.1 | -73.2 | 169 | -179.8 | -178.4 | -2.4 | 111.7 | K205 E206 S207 R212 S213 | K205-R209 VanDerWaalsContact O-CG 3.3Å; K205-R209 WeakPolarHBondContact O-CG 3.46Å; K205-R209 PolarHBondContact O-N 3.39Å; E206-R209 WeakPolarHBondContact O-CB 3.47Å; E206-R209 PolarHBondContact O-N 3.41Å; E206-R209 IonicContact OE2-NH1 2.77Å; E206-R209 PolarHBondContact OE2-NH1 3.38Å; S207-R209 VanDerWaalsContact C-N 3.29Å; S207-R209 PolarHBondContact O-N 2.85Å; R209-R212 PolarHBondContact O-N 3.45Å; R209-S213 WeakPolarHBondContact O-CB 3.47Å; R209-S213 PolarHBondContact O-N 3.3Å; R209-S213 PolarHBondContact O-OG 2.68Å |
| 210 | R | 96.4 | Very high | 94.3 | Very high | 153 Ų | 153 | 63.3 Ų | 63.3 | 58% | 0.577 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -63.6 | -49.4 | 176.7 | -67.3 | 173.4 | -172 | -178.3 | -0.3 | 111.4 | E206 S207 L208 R212 S213 N214 | E206-R210 WeakPolarHBondContact O-CG 3.44Å; E206-R210 PolarHBondContact O-N 2.87Å; E206-R210 IonicContact OE1-NE 2.61Å; S207-R210 WeakPolarHBondContact O-CB 3.44Å; S207-R210 PolarHBondContact O-N 2.76Å; S207-R210 VanDerWaalsContact O-N 3.09Å; L208-R210 VanDerWaalsContact C-N 3.34Å; R210-R212 VanDerWaalsContact C-N 3.33Å; R210-R212 PolarHBondContact O-N 2.97Å; R210-S213 PolarHBondContact O-N 3.38Å; R210-N214 WeakPolarHBondContact O-CB 3.48Å; R210-N214 PolarHBondContact O-N 2.8Å; R210-N214 PolarHBondContact O-ND2 2.84Å; R210-N214 PolarHBondContact O-OD1 3.15Å |
| 211 | V | 95.6 | Very high | 93.9 | Very high | 23 Ų | 23 | 69.5 Ų | 69.5 | 14% | 0.139 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -56.5 | -48.5 | 176.3 | 175.2 | 0 | 0 | 0 | 0 | 110.5 | T88 D91 M92 V95 S207 L208 S213 N214 A215 | T88-V211 HydrophobicContact CG2-CG1 4.31Å; D91-V211 HydrophobicContact CB-CG1 3.81Å; D91-V211 HydrophobicContact CB-CG2 4.29Å; M92-V211 HydrophobicContact CE-CG1 4.27Å; M92-V211 HydrophobicContact CG-CG1 3.96Å; V95-V211 HydrophobicContact CG2-CG2 4.47Å; S207-V211 PolarHBondContact O-N 3.04Å; L208-V211 PolarHBondContact O-N 3.07Å; V211-S213 PolarHBondContact O-N 2.95Å; V211-N214 PolarHBondContact O-N 3.49Å; V211-A215 PolarHBondContact O-N 3.12Å |
| 212 | R | 95.1 | Very high | 93.3 | Very high | 84 Ų | 84 | 70.5 Ų | 70.5 | 32% | 0.317 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.8 | -46.1 | 177.1 | -171.5 | -172.7 | 67.9 | -178.3 | 1.6 | 112.6 | M92 L208 R209 R210 N214 A215 I216 V238 A242 | M92-R212 HydrophobicContact CE-CB 4.5Å; L208-R212 WeakPolarHBondContact O-CB 3.42Å; L208-R212 PolarHBondContact O-N 3.01Å; R209-R212 PolarHBondContact O-N 3.45Å; R210-R212 VanDerWaalsContact C-N 3.33Å; R210-R212 PolarHBondContact O-N 2.97Å; R212-N214 VanDerWaalsContact C-N 3.33Å; R212-A215 PolarHBondContact O-N 3.41Å; R212-I216 HydrophobicContact CG-CD1 3.92Å; R212-I216 VanDerWaalsContact O-CG1 3.3Å; R212-I216 WeakPolarHBondContact O-CG1 3.4Å; R212-I216 PolarHBondContact O-N 3.27Å; R212-V238 HydrophobicContact CG-CG1 4.01Å; R212-A242 HydrophobicContact CB-CB 4.35Å; R212-A242 HydrophobicContact CG-CB 4.07Å |
| 213 | S | 95.6 | Very high | 92.5 | Very high | 57 Ų | 57 | 72.4 Ų | 72.4 | 40% | 0.399 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.8 | -38.1 | 179.4 | -66.9 | 0 | 0 | 0 | 0 | 111.9 | R209 R210 V211 T217 | R209-S213 WeakPolarHBondContact O-CB 3.47Å; R209-S213 PolarHBondContact O-N 3.3Å; R209-S213 PolarHBondContact O-OG 2.68Å; R210-S213 PolarHBondContact O-N 3.38Å; V211-S213 PolarHBondContact O-N 2.95Å; S213-T217 WeakPolarHBondContact O-CB 3.49Å; S213-T217 PolarHBondContact O-N 3.45Å; S213-T217 PolarHBondContact O-OG1 3.15Å |
| 214 | N | 93.5 | Very high | 91.8 | Very high | 102 Ų | 102 | 72.8 Ų | 72.8 | 55% | 0.545 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64 | -48 | 175.6 | -69.2 | -10.9 | 0 | 0 | 0 | 110.9 | R210 V211 R212 T217 Q218 | R210-N214 WeakPolarHBondContact O-CB 3.48Å; R210-N214 PolarHBondContact O-N 2.8Å; R210-N214 PolarHBondContact O-ND2 2.84Å; R210-N214 PolarHBondContact O-OD1 3.15Å; V211-N214 PolarHBondContact O-N 3.49Å; R212-N214 VanDerWaalsContact C-N 3.33Å; N214-T217 PolarHBondContact O-N 3Å; N214-Q218 WeakPolarHBondContact O-CG 3.36Å; N214-Q218 PolarHBondContact O-N 3Å |
| 215 | A | 92.1 | Very high | 91 | Very high | 3 Ų | 3 | 78.6 Ų | 78.6 | 3% | 0.025 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -58.2 | -49.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | I83 T88 V211 R212 T217 Q218 V219 V238 | I83-A215 WeakPolarHBondContact CD1-O 3.32Å; T88-A215 HydrophobicContact CG2-CB 4.07Å; V211-A215 PolarHBondContact O-N 3.12Å; R212-A215 PolarHBondContact O-N 3.41Å; A215-T217 VanDerWaalsContact C-N 3.28Å; A215-T217 PolarHBondContact O-N 3.21Å; A215-Q218 WeakPolarHBondContact O-CB 3.4Å; A215-Q218 PolarHBondContact O-N 2.96Å; A215-Q218 VanDerWaalsContact O-N 3.12Å; A215-V219 WeakPolarHBondContact O-CG2 3.46Å; A215-V219 PolarHBondContact O-N 2.89Å; A215-V238 HydrophobicContact CB-CG1 4.12Å |
| 216 | I | 91.9 | Very high | 90.4 | Very high | 37 Ų | 37 | 77.8 Ų | 77.8 | 19% | 0.19 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -59.9 | -39.2 | 177 | -68.9 | 169 | 0 | 0 | 0 | 111.5 | R212 Q218 V219 K220 V238 | R212-I216 HydrophobicContact CG-CD1 3.92Å; R212-I216 VanDerWaalsContact O-CG1 3.3Å; R212-I216 WeakPolarHBondContact O-CG1 3.4Å; R212-I216 PolarHBondContact O-N 3.27Å; I216-Q218 VanDerWaalsContact C-N 3.33Å; I216-Q218 PolarHBondContact O-N 2.97Å; I216-V219 PolarHBondContact O-N 2.87Å; I216-K220 HydrophobicContact CG2-CD 4.09Å; I216-K220 WeakPolarHBondContact O-CG 3.19Å; I216-K220 PolarHBondContact O-N 3.16Å; I216-V238 HydrophobicContact CG1-CG1 4.44Å |
| 217 | T | 92.6 | Very high | 89.9 | Confident | 75 Ų | 75 | 77.4 Ų | 77.4 | 46% | 0.46 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.4 | -38.1 | 177.9 | -57.4 | 0 | 0 | 0 | 0 | 111.4 | S213 N214 A215 K220 K221 | S213-T217 WeakPolarHBondContact O-CB 3.49Å; S213-T217 PolarHBondContact O-N 3.45Å; S213-T217 PolarHBondContact O-OG1 3.15Å; N214-T217 PolarHBondContact O-N 3Å; A215-T217 VanDerWaalsContact C-N 3.28Å; A215-T217 PolarHBondContact O-N 3.21Å; T217-K220 PolarHBondContact O-N 3.04Å; T217-K221 WeakPolarHBondContact O-CG 3.44Å; T217-K221 PolarHBondContact O-N 3Å |
| 218 | Q | 89 | Confident | 89.4 | Confident | 97 Ų | 97 | 81 Ų | 81 | 45% | 0.453 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.8 | -44.7 | 173 | -73.6 | 172.9 | -9.1 | 0 | 0 | 111.5 | I83 N214 A215 I216 K220 K221 | I83-Q218 HydrophobicContact CD1-CB 3.65Å; I83-Q218 HydrophobicContact CG1-CB 3.98Å; N214-Q218 WeakPolarHBondContact O-CG 3.36Å; N214-Q218 PolarHBondContact O-N 3Å; A215-Q218 WeakPolarHBondContact O-CB 3.4Å; A215-Q218 PolarHBondContact O-N 2.96Å; A215-Q218 VanDerWaalsContact O-N 3.12Å; I216-Q218 VanDerWaalsContact C-N 3.33Å; I216-Q218 PolarHBondContact O-N 2.97Å; Q218-K220 VanDerWaalsContact C-N 3.26Å; Q218-K220 PolarHBondContact O-N 3.31Å; Q218-K221 WeakPolarHBondContact O-CB 3.32Å; Q218-K221 PolarHBondContact O-N 2.98Å |
| 219 | V | 88.4 | Confident | 89 | Confident | 0 Ų | 0 | 85.5 Ų | 85.5 | 0% | 0 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -56.6 | -45 | 176.7 | -175.9 | 0 | 0 | 0 | 0 | 109.8 | I83 A215 I216 K221 A222 I231 V234 E235 | I83-V219 HydrophobicContact CD1-CB 3.91Å; I83-V219 HydrophobicContact CD1-CG2 3.15Å; A215-V219 WeakPolarHBondContact O-CG2 3.46Å; A215-V219 PolarHBondContact O-N 2.89Å; I216-V219 PolarHBondContact O-N 2.87Å; V219-K221 VanDerWaalsContact C-N 3.26Å; V219-K221 PolarHBondContact O-N 3.11Å; V219-A222 PolarHBondContact O-N 3.34Å; V219-A222 VanDerWaalsContact O-N 3.16Å; V219-I231 HydrophobicContact CG1-CB 4.27Å; V219-I231 HydrophobicContact CG1-CG1 4.25Å; V219-I231 HydrophobicContact CG1-CG2 3.8Å; V219-V234 HydrophobicContact CG1-CB 4.37Å; V219-V234 HydrophobicContact CG1-CG1 4.3Å; V219-V234 HydrophobicContact CG2-CG1 3.71Å; V219-E235 HydrophobicContact CG1-CG 4.45Å |
| 220 | K | 87.7 | Confident | 88.4 | Confident | 114 Ų | 114 | 80.6 Ų | 80.6 | 50% | 0.496 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -67.9 | -21.6 | -178.3 | -72.6 | 178.4 | -179.8 | -176.3 | 0 | 114.2 | I216 T217 Q218 A222 K223 E235 | I216-K220 HydrophobicContact CG2-CD 4.09Å; I216-K220 WeakPolarHBondContact O-CG 3.19Å; I216-K220 PolarHBondContact O-N 3.16Å; T217-K220 PolarHBondContact O-N 3.04Å; Q218-K220 VanDerWaalsContact C-N 3.26Å; Q218-K220 PolarHBondContact O-N 3.31Å; K220-A222 VanDerWaalsContact C-N 3.34Å; K220-K223 WeakPolarHBondContact O-CB 3.46Å; K220-K223 WeakPolarHBondContact O-CD 3.45Å; K220-K223 VanDerWaalsContact O-CG 3.25Å; K220-K223 WeakPolarHBondContact O-CG 3.2Å; K220-E235 WeakPolarHBondContact CE-OE1 3.48Å; K220-E235 IonicContact NZ-OE1 3.7Å |
| 221 | K | 88.1 | Confident | 88 | Confident | 157 Ų | 157 | 74 Ų | 74 | 68% | 0.683 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -73 | -29.2 | 174 | -72.8 | 174.5 | -177.2 | -177.8 | 0 | 112 | T217 Q218 V219 K223 | T217-K221 WeakPolarHBondContact O-CG 3.44Å; T217-K221 PolarHBondContact O-N 3Å; Q218-K221 WeakPolarHBondContact O-CB 3.32Å; Q218-K221 PolarHBondContact O-N 2.98Å; V219-K221 VanDerWaalsContact C-N 3.26Å; V219-K221 PolarHBondContact O-N 3.11Å; K221-K223 PolarHBondContact O-N 3.03Å |
| 222 | A | 81.7 | Confident | 87.6 | Confident | 22 Ų | 22 | 78.8 Ų | 78.8 | 18% | 0.182 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -81 | 7.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | I82 V219 K220 D224 T225 V226 | I82-A222 HydrophobicContact CG2-CB 3.77Å; V219-A222 PolarHBondContact O-N 3.34Å; V219-A222 VanDerWaalsContact O-N 3.16Å; K220-A222 VanDerWaalsContact C-N 3.34Å; A222-D224 PolarHBondContact O-N 3.11Å; A222-D224 VanDerWaalsContact O-N 3.17Å; A222-T225 PolarHBondContact O-N 3.25Å; A222-T225 VanDerWaalsContact O-N 3.12Å; A222-V226 HydrophobicContact CB-CG2 4.42Å; A222-V226 PolarHBondContact O-N 3.15Å |
| 223 | K | 80.4 | Confident | 87.2 | Confident | 131 Ų | 131 | 78.2 Ų | 78.2 | 57% | 0.57 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -59.3 | -27.2 | -175.4 | 69.1 | 176.4 | -173.6 | 167.9 | 0 | 115.1 | K220 K221 T225 I231 | K220-K223 WeakPolarHBondContact O-CB 3.46Å; K220-K223 WeakPolarHBondContact O-CD 3.45Å; K220-K223 VanDerWaalsContact O-CG 3.25Å; K220-K223 WeakPolarHBondContact O-CG 3.2Å; K221-K223 PolarHBondContact O-N 3.03Å; K223-T225 VanDerWaalsContact C-N 3.34Å; K223-I231 HydrophobicContact CB-CD1 3.93Å |
| 224 | D | 80.6 | Confident | 86.8 | Confident | 139 Ų | 139 | 75.5 Ų | 75.5 | 74% | 0.743 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -85.7 | -14.4 | -176.3 | -56.6 | -43.6 | 0 | 0 | 0 | 111.5 | A222 | A222-D224 PolarHBondContact O-N 3.11Å; A222-D224 VanDerWaalsContact O-N 3.17Å |
| 225 | T | 81.5 | Confident | 86.6 | Confident | 129 Ų | 129 | 73.3 Ų | 73.3 | 79% | 0.791 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.3 | -21.7 | -177.9 | -46.1 | 0 | 0 | 0 | 0 | 112.5 | A222 K223 | A222-T225 PolarHBondContact O-N 3.25Å; A222-T225 VanDerWaalsContact O-N 3.12Å; K223-T225 VanDerWaalsContact C-N 3.34Å |
| 226 | V | 81.9 | Confident | 86.6 | Confident | 38 Ų | 38 | 79.3 Ų | 79.3 | 23% | 0.23 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -126.1 | 147.9 | -169.6 | -172.1 | 0 | 0 | 0 | 0 | 111.5 | I82 A222 T230 | I82-V226 HydrophobicContact CD1-CB 4.32Å; I82-V226 HydrophobicContact CD1-CG1 3.65Å; I82-V226 HydrophobicContact CD1-CG2 3.89Å; I82-V226 HydrophobicContact CG1-CG2 3.92Å; A222-V226 HydrophobicContact CB-CG2 4.42Å; A222-V226 PolarHBondContact O-N 3.15Å; V226-T230 HydrophobicContact CG1-CG2 3.94Å |
| 227 | S | 86.4 | Confident | 86.4 | Confident | 71 Ų | 71 | 79 Ų | 79 | 50% | 0.497 | 40% | 0.397 | S | S | . | . | trans | -55 | 140 | 171.5 | -178.9 | 0 | 0 | 0 | 0 | 113.1 | D229 T230 I231 | S227-D229 PolarHBondContact O-N 3.4Å; S227-D229 PolarHBondContact OG-N 3.29Å; S227-T230 PolarHBondContact O-N 3.38Å; S227-T230 VanDerWaalsContact O-N 3.16Å; S227-I231 PolarHBondContact O-N 3.49Å | ||
| 228 | E | 87.3 | Confident | 86.4 | Confident | 120 Ų | 120 | 75.4 Ų | 75.4 | 56% | 0.561 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -59.5 | -33.5 | 177.9 | -166.3 | -177.5 | 170 | 0 | 0 | 112.5 | I231 R232 | E228-I231 PolarHBondContact O-N 2.95Å; E228-R232 WeakPolarHBondContact O-CG 3.13Å; E228-R232 PolarHBondContact O-N 3.16Å; E228-R232 IonicContact OE1-CZ 3.3Å; E228-R232 VanDerWaalsContact OE1-CZ 3.3Å; E228-R232 IonicContact OE1-NE 3.34Å; E228-R232 PolarHBondContact OE1-NE 3.32Å; E228-R232 IonicContact OE1-NH2 2.67Å; E228-R232 PolarHBondContact OE1-NH2 2.98Å |
| 229 | D | 86.9 | Confident | 86.5 | Confident | 104 Ų | 104 | 71.7 Ų | 71.7 | 56% | 0.556 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -65.4 | -40.6 | 178.2 | -73.1 | -31.7 | 0 | 0 | 0 | 111.8 | S227 R232 L233 | S227-D229 PolarHBondContact O-N 3.4Å; S227-D229 PolarHBondContact OG-N 3.29Å; D229-R232 PolarHBondContact O-N 2.94Å; D229-L233 WeakPolarHBondContact O-CG 3.43Å; D229-L233 PolarHBondContact O-N 3.33Å |
| 230 | T | 84.1 | Confident | 86.7 | Confident | 36 Ų | 36 | 74.4 Ų | 74.4 | 22% | 0.221 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.7 | -42.3 | 176.5 | -51.1 | 0 | 0 | 0 | 0 | 110.7 | I82 V226 S227 R232 L233 V234 | I82-T230 HydrophobicContact CD1-CG2 3.87Å; V226-T230 HydrophobicContact CG1-CG2 3.94Å; S227-T230 PolarHBondContact O-N 3.38Å; S227-T230 VanDerWaalsContact O-N 3.16Å; T230-R232 PolarHBondContact O-N 2.9Å; T230-L233 WeakPolarHBondContact O-CB 3.14Å; T230-L233 PolarHBondContact O-N 3.02Å; T230-L233 VanDerWaalsContact O-N 3.14Å; T230-V234 WeakPolarHBondContact O-CG2 3.49Å; T230-V234 PolarHBondContact O-N 3.44Å |
| 231 | I | 86.9 | Confident | 86.9 | Confident | 15 Ų | 15 | 70 Ų | 70 | 8% | 0.077 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.1 | -48.1 | 177 | -70.2 | 165.5 | 0 | 0 | 0 | 111 | V219 K223 S227 E228 L233 V234 E235 | V219-I231 HydrophobicContact CG1-CB 4.27Å; V219-I231 HydrophobicContact CG1-CG1 4.25Å; V219-I231 HydrophobicContact CG1-CG2 3.8Å; K223-I231 HydrophobicContact CB-CD1 3.93Å; S227-I231 PolarHBondContact O-N 3.49Å; E228-I231 PolarHBondContact O-N 2.95Å; I231-L233 PolarHBondContact O-N 3.14Å; I231-V234 PolarHBondContact O-N 2.91Å; I231-E235 HydrophobicContact CG2-CG 4.47Å; I231-E235 WeakPolarHBondContact O-CG 3.38Å; I231-E235 PolarHBondContact O-N 3.02Å |
| 232 | R | 87.8 | Confident | 87.2 | Confident | 124 Ų | 124 | 62.9 Ų | 62.9 | 47% | 0.468 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.5 | -33.8 | 177.8 | -70.7 | 172.5 | 178.2 | -176.1 | 0.8 | 112.2 | E228 D229 T230 K236 | E228-R232 WeakPolarHBondContact O-CG 3.13Å; E228-R232 PolarHBondContact O-N 3.16Å; E228-R232 IonicContact OE1-CZ 3.3Å; E228-R232 VanDerWaalsContact OE1-CZ 3.3Å; E228-R232 IonicContact OE1-NE 3.34Å; E228-R232 PolarHBondContact OE1-NE 3.32Å; E228-R232 IonicContact OE1-NH2 2.67Å; E228-R232 PolarHBondContact OE1-NH2 2.98Å; D229-R232 PolarHBondContact O-N 2.94Å; T230-R232 PolarHBondContact O-N 2.9Å; R232-K236 VanDerWaalsContact O-CG 3.3Å; R232-K236 WeakPolarHBondContact O-CG 3.36Å; R232-K236 PolarHBondContact O-N 3.42Å |
| 233 | L | 87.3 | Confident | 87.8 | Confident | 71 Ų | 71 | 66.7 Ų | 66.7 | 37% | 0.372 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -69.3 | -45.9 | 175.7 | -77 | 175.9 | 0 | 0 | 0 | 111.8 | I74 D229 T230 I231 K236 Q237 | I74-L233 HydrophobicContact CD1-CB 3.69Å; I74-L233 HydrophobicContact CG1-CB 4.41Å; D229-L233 WeakPolarHBondContact O-CG 3.43Å; D229-L233 PolarHBondContact O-N 3.33Å; T230-L233 WeakPolarHBondContact O-CB 3.14Å; T230-L233 PolarHBondContact O-N 3.02Å; T230-L233 VanDerWaalsContact O-N 3.14Å; I231-L233 PolarHBondContact O-N 3.14Å; L233-K236 WeakPolarHBondContact O-CB 3.42Å; L233-K236 PolarHBondContact O-N 3.26Å; L233-Q237 PolarHBondContact O-N 2.8Å |
| 234 | V | 87.6 | Confident | 88.5 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.9 | -43.5 | 177.1 | 177.3 | 0 | 0 | 0 | 0 | 111.3 | V79 V219 T230 I231 K236 Q237 V238 | V79-V234 HydrophobicContact CB-CG2 4.44Å; V79-V234 HydrophobicContact CG1-CG1 4.12Å; V79-V234 HydrophobicContact CG1-CG2 3.7Å; V79-V234 HydrophobicContact CG2-CG2 4.03Å; V219-V234 HydrophobicContact CG1-CB 4.37Å; V219-V234 HydrophobicContact CG1-CG1 4.3Å; V219-V234 HydrophobicContact CG2-CG1 3.71Å; T230-V234 WeakPolarHBondContact O-CG2 3.49Å; T230-V234 PolarHBondContact O-N 3.44Å; I231-V234 PolarHBondContact O-N 2.91Å; V234-K236 VanDerWaalsContact C-N 3.29Å; V234-K236 PolarHBondContact O-N 3.48Å; V234-Q237 PolarHBondContact O-N 3.16Å; V234-Q237 VanDerWaalsContact O-N 3.07Å; V234-V238 HydrophobicContact CG1-CG2 4.33Å; V234-V238 WeakPolarHBondContact O-CG2 3.34Å; V234-V238 PolarHBondContact O-N 3.19Å |
| 235 | E | 89.3 | Confident | 89.2 | Confident | 57 Ų | 57 | 58.2 Ų | 58.2 | 27% | 0.266 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -57.7 | -41.7 | 175.1 | -74.7 | -173.6 | 159 | 0 | 0 | 112 | V219 K220 I231 G239 | V219-E235 HydrophobicContact CG1-CG 4.45Å; K220-E235 WeakPolarHBondContact CE-OE1 3.48Å; K220-E235 IonicContact NZ-OE1 3.7Å; I231-E235 HydrophobicContact CG2-CG 4.47Å; I231-E235 WeakPolarHBondContact O-CG 3.38Å; I231-E235 PolarHBondContact O-N 3.02Å; E235-G239 PolarHBondContact O-N 3.06Å |
| 236 | K | 90.7 | Very high | 89.9 | Confident | 128 Ų | 128 | 53.5 Ų | 53.5 | 56% | 0.557 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -63.7 | -41 | 174.7 | -76.2 | 174.8 | -175.7 | 176 | 0 | 111.8 | R232 L233 V234 G239 Q240 | R232-K236 VanDerWaalsContact O-CG 3.3Å; R232-K236 WeakPolarHBondContact O-CG 3.36Å; R232-K236 PolarHBondContact O-N 3.42Å; L233-K236 WeakPolarHBondContact O-CB 3.42Å; L233-K236 PolarHBondContact O-N 3.26Å; V234-K236 VanDerWaalsContact C-N 3.29Å; V234-K236 PolarHBondContact O-N 3.48Å; K236-G239 PolarHBondContact O-N 2.97Å; K236-Q240 WeakPolarHBondContact O-CG 3.48Å; K236-Q240 PolarHBondContact O-N 2.84Å |
| 237 | Q | 89.1 | Confident | 90.6 | Very high | 31 Ų | 31 | 53.8 Ų | 53.8 | 15% | 0.145 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.2 | -47.4 | 179.4 | -174.6 | 175.3 | 1.5 | 0 | 0 | 112 | I74 L85 L233 V234 G239 Q240 M241 | I74-Q237 HydrophobicContact CD1-CB 4.29Å; L85-Q237 VanDerWaalsContact CD1-NE2 3.29Å; L233-Q237 PolarHBondContact O-N 2.8Å; V234-Q237 PolarHBondContact O-N 3.16Å; V234-Q237 VanDerWaalsContact O-N 3.07Å; Q237-G239 PolarHBondContact O-N 2.93Å; Q237-Q240 PolarHBondContact O-N 2.86Å; Q237-M241 HydrophobicContact CG-SD 4.39Å; Q237-M241 WeakPolarHBondContact O-CG 3.45Å; Q237-M241 PolarHBondContact O-N 2.99Å |
| 238 | V | 91 | Very high | 91.1 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.2 | -39.5 | 174.4 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | L85 R212 A215 I216 V234 M241 A242 | L85-V238 HydrophobicContact CD2-CG2 4.19Å; R212-V238 HydrophobicContact CG-CG1 4.01Å; A215-V238 HydrophobicContact CB-CG1 4.12Å; I216-V238 HydrophobicContact CG1-CG1 4.44Å; V234-V238 HydrophobicContact CG1-CG2 4.33Å; V234-V238 WeakPolarHBondContact O-CG2 3.34Å; V234-V238 PolarHBondContact O-N 3.19Å; V238-M241 PolarHBondContact O-N 3.29Å; V238-A242 WeakPolarHBondContact O-CB 3.47Å; V238-A242 PolarHBondContact O-N 2.78Å |
| 239 | G | 92.5 | Very high | 91.5 | Very high | 18 Ų | 18 | 47.2 Ų | 47.2 | 19% | 0.186 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60 | -50.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | E235 K236 Q237 M241 A242 D243 | E235-G239 PolarHBondContact O-N 3.06Å; K236-G239 PolarHBondContact O-N 2.97Å; Q237-G239 PolarHBondContact O-N 2.93Å; G239-M241 VanDerWaalsContact C-N 3.33Å; G239-M241 PolarHBondContact O-N 3.3Å; G239-A242 PolarHBondContact O-N 2.88Å; G239-D243 WeakPolarHBondContact O-CB 3.33Å; G239-D243 VanDerWaalsContact O-CG 3.29Å; G239-D243 PolarHBondContact O-N 2.91Å |
| 240 | Q | 92.6 | Very high | 91.9 | Very high | 57 Ų | 57 | 45.4 Ų | 45.4 | 27% | 0.266 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.3 | -41.9 | 177.8 | -73.9 | -177.7 | -0.2 | 0 | 0 | 112.2 | S70 K236 Q237 D243 S244 | S70-Q240 PolarHBondContact O-NE2 3.21Å; K236-Q240 WeakPolarHBondContact O-CG 3.48Å; K236-Q240 PolarHBondContact O-N 2.84Å; Q237-Q240 PolarHBondContact O-N 2.86Å; Q240-D243 PolarHBondContact O-N 3.13Å; Q240-S244 PolarHBondContact O-N 2.84Å; Q240-S244 VanDerWaalsContact O-N 3.07Å |
| 241 | M | 91.6 | Very high | 92.5 | Very high | 22 Ų | 22 | 49.5 Ų | 49.5 | 11% | 0.108 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.3 | -53.7 | 174.4 | -75.6 | 173.6 | 33.3 | 0 | 0 | 110.8 | T88 K89 M92 Q237 V238 G239 D243 S244 F245 | T88-M241 HydrophobicContact CG2-CE 4.29Å; K89-M241 HydrophobicContact CB-CE 4.42Å; K89-M241 HydrophobicContact CD-CE 4.37Å; K89-M241 HydrophobicContact CG-CE 3.34Å; K89-M241 HydrophobicContact CG-SD 4.16Å; M92-M241 HydrophobicContact SD-CB 4.44Å; M92-M241 HydrophobicContact SD-CE 4.49Å; Q237-M241 HydrophobicContact CG-SD 4.39Å; Q237-M241 WeakPolarHBondContact O-CG 3.45Å; Q237-M241 PolarHBondContact O-N 2.99Å; V238-M241 PolarHBondContact O-N 3.29Å; G239-M241 VanDerWaalsContact C-N 3.33Å; G239-M241 PolarHBondContact O-N 3.3Å; M241-D243 VanDerWaalsContact C-N 3.28Å; M241-D243 PolarHBondContact O-N 3.11Å; M241-S244 WeakPolarHBondContact O-CB 3.44Å; M241-S244 PolarHBondContact O-N 3.34Å; M241-S244 PolarHBondContact O-OG 3.16Å; M241-F245 VanDerWaalsContact O-CD2 3.25Å; M241-F245 WeakPolarHBondContact O-CD2 3.45Å; M241-F245 PolarHBondContact O-N 2.93Å |
| 242 | A | 94.4 | Very high | 92.8 | Very high | 7 Ų | 7 | 50.8 Ų | 50.8 | 6% | 0.058 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.1 | -39.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | M92 R212 V238 G239 S244 F245 A246 | M92-A242 HydrophobicContact CE-CB 3.88Å; M92-A242 HydrophobicContact SD-CB 4.44Å; R212-A242 HydrophobicContact CB-CB 4.35Å; R212-A242 HydrophobicContact CG-CB 4.07Å; V238-A242 WeakPolarHBondContact O-CB 3.47Å; V238-A242 PolarHBondContact O-N 2.78Å; G239-A242 PolarHBondContact O-N 2.88Å; A242-S244 VanDerWaalsContact C-N 3.34Å; A242-S244 PolarHBondContact O-N 3.41Å; A242-F245 PolarHBondContact O-N 3.37Å; A242-A246 VanDerWaalsContact O-CB 3.29Å; A242-A246 WeakPolarHBondContact O-CB 3.46Å; A242-A246 PolarHBondContact O-N 3.16Å |
| 243 | D | 95 | Very high | 93.2 | Very high | 103 Ų | 103 | 46.2 Ų | 46.2 | 55% | 0.551 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -65.1 | -37.1 | 176.9 | -72.2 | -17.3 | 0 | 0 | 0 | 112 | G239 Q240 M241 A246 A247 | G239-D243 WeakPolarHBondContact O-CB 3.33Å; G239-D243 VanDerWaalsContact O-CG 3.29Å; G239-D243 PolarHBondContact O-N 2.91Å; Q240-D243 PolarHBondContact O-N 3.13Å; M241-D243 VanDerWaalsContact C-N 3.28Å; M241-D243 PolarHBondContact O-N 3.11Å; D243-A246 PolarHBondContact O-N 3.5Å; D243-A247 PolarHBondContact O-N 3.34Å |
| 244 | S | 94.9 | Very high | 93.5 | Very high | 59 Ų | 59 | 46.2 Ų | 46.2 | 41% | 0.413 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -65.5 | -46.7 | 175 | 72.3 | 0 | 0 | 0 | 0 | 112.3 | Q240 M241 A242 A246 A247 D248 | Q240-S244 PolarHBondContact O-N 2.84Å; Q240-S244 VanDerWaalsContact O-N 3.07Å; M241-S244 WeakPolarHBondContact O-CB 3.44Å; M241-S244 PolarHBondContact O-N 3.34Å; M241-S244 PolarHBondContact O-OG 3.16Å; A242-S244 VanDerWaalsContact C-N 3.34Å; A242-S244 PolarHBondContact O-N 3.41Å; S244-A246 VanDerWaalsContact C-N 3.34Å; S244-A246 PolarHBondContact O-N 3.22Å; S244-A247 WeakPolarHBondContact O-CB 3.19Å; S244-A247 PolarHBondContact O-N 3.43Å; S244-D248 PolarHBondContact O-N 2.89Å |
| 245 | F | 95.6 | Very high | 93.8 | Very high | 33 Ų | 33 | 50.3 Ų | 50.3 | 15% | 0.145 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65 | -37.4 | 175.7 | -77.7 | -78.3 | 0 | 0 | 0 | 112 | M92 L96 L208 M241 A242 A247 D248 V249 | M92-F245 HydrophobicContact CB-CD1 4.12Å; M92-F245 HydrophobicContact CB-CD2 3.76Å; M92-F245 HydrophobicContact CB-CE1 4.17Å; M92-F245 HydrophobicContact CB-CE2 3.82Å; M92-F245 HydrophobicContact CB-CG 3.94Å; M92-F245 HydrophobicContact CB-CZ 4.03Å; M92-F245 HydrophobicContact CG-CD2 4.25Å; M92-F245 HydrophobicContact SD-CD2 3.51Å; M92-F245 VanDerWaalsContact SD-CD2 3.51Å; M92-F245 HydrophobicContact SD-CE2 3.94Å; M92-F245 HydrophobicContact SD-CG 4.29Å; L96-F245 HydrophobicContact CD1-CD1 3.57Å; L96-F245 HydrophobicContact CD1-CE1 3.95Å; L96-F245 HydrophobicContact CG-CD1 4.1Å; L208-F245 HydrophobicContact CD1-CB 4.24Å; L208-F245 HydrophobicContact CD2-CB 4.14Å; M241-F245 VanDerWaalsContact O-CD2 3.25Å; M241-F245 WeakPolarHBondContact O-CD2 3.45Å; M241-F245 PolarHBondContact O-N 2.93Å; A242-F245 PolarHBondContact O-N 3.37Å; F245-A247 VanDerWaalsContact C-N 3.33Å; F245-A247 PolarHBondContact O-N 3.27Å; F245-D248 PolarHBondContact O-N 2.61Å; F245-D248 VanDerWaalsContact O-N 3.17Å; F245-V249 WeakPolarHBondContact O-CG2 3.49Å; F245-V249 PolarHBondContact O-N 2.77Å |
| 246 | A | 95.7 | Very high | 93.9 | Very high | 30 Ų | 30 | 50.2 Ų | 50.2 | 25% | 0.248 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.7 | -39.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | A242 D243 S244 D248 V249 D250 | A242-A246 VanDerWaalsContact O-CB 3.29Å; A242-A246 WeakPolarHBondContact O-CB 3.46Å; A242-A246 PolarHBondContact O-N 3.16Å; D243-A246 PolarHBondContact O-N 3.5Å; S244-A246 VanDerWaalsContact C-N 3.34Å; S244-A246 PolarHBondContact O-N 3.22Å; A246-D248 VanDerWaalsContact C-N 3.31Å; A246-D248 PolarHBondContact O-N 2.83Å; A246-V249 PolarHBondContact O-N 2.81Å; A246-D250 PolarHBondContact O-N 3.04Å; A246-D250 VanDerWaalsContact O-N 3.09Å |
| 247 | A | 96.6 | Very high | 94 | Very high | 44 Ų | 44 | 45.7 Ų | 45.7 | 36% | 0.364 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.4 | -36.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | D243 S244 F245 D250 K251 | D243-A247 PolarHBondContact O-N 3.34Å; S244-A247 WeakPolarHBondContact O-CB 3.19Å; S244-A247 PolarHBondContact O-N 3.43Å; F245-A247 VanDerWaalsContact C-N 3.33Å; F245-A247 PolarHBondContact O-N 3.27Å; A247-D250 PolarHBondContact O-N 2.94Å; A247-K251 WeakPolarHBondContact O-CG 3.5Å; A247-K251 PolarHBondContact O-N 2.8Å |
| 248 | D | 95.7 | Very high | 94.1 | Very high | 53 Ų | 53 | 51.9 Ų | 51.9 | 28% | 0.283 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -69.8 | -36.7 | 176.6 | -69.9 | -20.8 | 0 | 0 | 0 | 112.8 | L96 S244 F245 A246 D250 K251 Q252 | L96-D248 HydrophobicContact CD1-CB 4.39Å; S244-D248 PolarHBondContact O-N 2.89Å; F245-D248 PolarHBondContact O-N 2.61Å; F245-D248 VanDerWaalsContact O-N 3.17Å; A246-D248 VanDerWaalsContact C-N 3.31Å; A246-D248 PolarHBondContact O-N 2.83Å; D248-D250 VanDerWaalsContact C-N 3.31Å; D248-D250 PolarHBondContact O-N 3.19Å; D248-K251 PolarHBondContact O-N 2.9Å; D248-K251 IonicContact OD1-NZ 3.96Å; D248-K251 PolarHBondContact OD1-NZ 3.42Å; D248-Q252 WeakPolarHBondContact O-CG 3.49Å; D248-Q252 PolarHBondContact O-N 3.36Å |
| 249 | V | 95.9 | Very high | 94 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.8 | -45.2 | 168.5 | 173.8 | 0 | 0 | 0 | 0 | 110.6 | L96 L99 K205 L208 F245 A246 Q252 L253 | L96-V249 HydrophobicContact CD2-CG2 3.5Å; L96-V249 VanDerWaalsContact CD2-CG2 3.5Å; L99-V249 HydrophobicContact CD1-CG1 4.37Å; K205-V249 HydrophobicContact CG-CG1 4.2Å; L208-V249 HydrophobicContact CD1-CG2 3.83Å; F245-V249 WeakPolarHBondContact O-CG2 3.49Å; F245-V249 PolarHBondContact O-N 2.77Å; A246-V249 PolarHBondContact O-N 2.81Å; V249-Q252 PolarHBondContact O-N 3.37Å; V249-L253 WeakPolarHBondContact O-CB 3.38Å; V249-L253 PolarHBondContact O-N 2.79Å |
| 250 | D | 95.6 | Very high | 93.8 | Very high | 65 Ų | 65 | 55.7 Ų | 55.7 | 35% | 0.348 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.6 | -38.2 | 178.7 | -78.5 | -34.1 | 0 | 0 | 0 | 112.8 | K205 A246 A247 D248 L253 T254 | K205-D250 WeakPolarHBondContact CE-OD1 3.41Å; K205-D250 IonicContact NZ-OD1 2.98Å; K205-D250 PolarHBondContact NZ-OD1 2.75Å; K205-D250 IonicContact NZ-OD2 2.8Å; K205-D250 PolarHBondContact NZ-OD2 3.39Å; A246-D250 PolarHBondContact O-N 3.04Å; A246-D250 VanDerWaalsContact O-N 3.09Å; A247-D250 PolarHBondContact O-N 2.94Å; D248-D250 VanDerWaalsContact C-N 3.31Å; D248-D250 PolarHBondContact O-N 3.19Å; D250-L253 PolarHBondContact O-N 3.02Å; D250-T254 WeakPolarHBondContact O-CB 3.38Å; D250-T254 VanDerWaalsContact O-CG2 3.27Å; D250-T254 WeakPolarHBondContact O-CG2 3.4Å; D250-T254 PolarHBondContact O-N 2.73Å; D250-T254 PolarHBondContact O-OG1 2.94Å |
| 251 | K | 96 | Very high | 93.6 | Very high | 123 Ų | 123 | 57.3 Ų | 57.3 | 54% | 0.535 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62 | -44.8 | 172.5 | -70.8 | 172.5 | -163.1 | 158.9 | 0 | 111.6 | A247 D248 T254 T255 | A247-K251 WeakPolarHBondContact O-CG 3.5Å; A247-K251 PolarHBondContact O-N 2.8Å; D248-K251 PolarHBondContact O-N 2.9Å; D248-K251 IonicContact OD1-NZ 3.96Å; D248-K251 PolarHBondContact OD1-NZ 3.42Å; K251-T254 WeakPolarHBondContact CA-OG1 3.42Å; K251-T254 PolarHBondContact O-OG1 3.42Å; K251-T255 WeakPolarHBondContact O-CB 3.41Å; K251-T255 PolarHBondContact O-N 3.42Å; K251-T255 PolarHBondContact O-OG1 3.45Å |
| 252 | Q | 94.6 | Very high | 93 | Very high | 42 Ų | 42 | 60.8 Ų | 60.8 | 20% | 0.196 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.1 | -42.9 | 179.1 | -71.5 | 177.2 | 8.6 | 0 | 0 | 111.5 | L99 F103 D248 V249 T255 K256 | L99-Q252 HydrophobicContact CD2-CB 4.19Å; F103-Q252 HydrophobicContact CE2-CB 4.26Å; D248-Q252 WeakPolarHBondContact O-CG 3.49Å; D248-Q252 PolarHBondContact O-N 3.36Å; V249-Q252 PolarHBondContact O-N 3.37Å; Q252-T255 PolarHBondContact O-N 3.45Å; Q252-K256 WeakPolarHBondContact O-CB 3.39Å; Q252-K256 WeakPolarHBondContact O-CG 3.41Å; Q252-K256 PolarHBondContact O-N 3.33Å |
| 253 | L | 95.3 | Very high | 93 | Very high | 27 Ų | 27 | 63.5 Ų | 63.5 | 14% | 0.141 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.4 | -48.4 | 176.8 | -169.2 | 167.8 | 0 | 0 | 0 | 111.4 | V249 D250 K256 T257 | V249-L253 WeakPolarHBondContact O-CB 3.38Å; V249-L253 PolarHBondContact O-N 2.79Å; D250-L253 PolarHBondContact O-N 3.02Å; L253-K256 PolarHBondContact O-N 2.89Å; L253-T257 WeakPolarHBondContact O-CB 3.23Å; L253-T257 PolarHBondContact O-N 2.86Å; L253-T257 PolarHBondContact O-OG1 2.92Å |
| 254 | T | 94.6 | Very high | 92.9 | Very high | 71 Ų | 71 | 61.4 Ų | 61.4 | 44% | 0.436 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.4 | -40.5 | 179.2 | 51.5 | 0 | 0 | 0 | 0 | 112.1 | D250 K251 T257 K258 | D250-T254 WeakPolarHBondContact O-CB 3.38Å; D250-T254 VanDerWaalsContact O-CG2 3.27Å; D250-T254 WeakPolarHBondContact O-CG2 3.4Å; D250-T254 PolarHBondContact O-N 2.73Å; D250-T254 PolarHBondContact O-OG1 2.94Å; K251-T254 WeakPolarHBondContact CA-OG1 3.42Å; K251-T254 PolarHBondContact O-OG1 3.42Å; T254-T257 PolarHBondContact O-N 3.35Å; T254-K258 WeakPolarHBondContact O-CB 3.39Å; T254-K258 VanDerWaalsContact O-CG 3.28Å; T254-K258 WeakPolarHBondContact O-CG 3.4Å; T254-K258 PolarHBondContact O-N 3.21Å |
| 255 | T | 93.6 | Very high | 92.8 | Very high | 86 Ų | 86 | 61.5 Ų | 61.5 | 53% | 0.528 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.1 | -49 | 174.9 | -56.6 | 0 | 0 | 0 | 0 | 110.8 | K251 Q252 T257 K258 E259 | K251-T255 WeakPolarHBondContact O-CB 3.41Å; K251-T255 PolarHBondContact O-N 3.42Å; K251-T255 PolarHBondContact O-OG1 3.45Å; Q252-T255 PolarHBondContact O-N 3.45Å; T255-T257 PolarHBondContact O-N 3.47Å; T255-K258 PolarHBondContact O-N 3.25Å; T255-E259 PolarHBondContact O-N 3.22Å |
| 256 | K | 91.9 | Very high | 92.6 | Very high | 56 Ų | 56 | 63.2 Ų | 63.2 | 24% | 0.243 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -67.2 | -36.4 | 179.4 | -76.2 | -74.7 | 169 | -161.8 | 0 | 113.2 | F103 Q252 L253 K258 E259 L260 | F103-K256 HydrophobicContact CD2-CB 4.46Å; F103-K256 HydrophobicContact CD2-CD 4.47Å; F103-K256 HydrophobicContact CD2-CG 3.72Å; F103-K256 HydrophobicContact CE2-CB 4.42Å; F103-K256 HydrophobicContact CE2-CG 4.05Å; F103-K256 HydrophobicContact CG-CG 4.37Å; Q252-K256 WeakPolarHBondContact O-CB 3.39Å; Q252-K256 WeakPolarHBondContact O-CG 3.41Å; Q252-K256 PolarHBondContact O-N 3.33Å; L253-K256 PolarHBondContact O-N 2.89Å; K256-K258 VanDerWaalsContact C-N 3.34Å; K256-E259 WeakPolarHBondContact CD-OE2 3.35Å; K256-E259 WeakPolarHBondContact CE-OE2 3.45Å; K256-E259 IonicContact NZ-OE1 3.88Å; K256-E259 PolarHBondContact NZ-OE1 3.49Å; K256-E259 IonicContact NZ-OE2 2.89Å; K256-E259 PolarHBondContact NZ-OE2 3.22Å; K256-E259 WeakPolarHBondContact O-CB 3.41Å; K256-E259 PolarHBondContact O-N 3.1Å; K256-L260 VanDerWaalsContact O-CG 3.26Å; K256-L260 WeakPolarHBondContact O-CG 3.29Å; K256-L260 PolarHBondContact O-N 2.97Å |
| 257 | T | 91.6 | Very high | 92.4 | Very high | 33 Ų | 33 | 65.3 Ų | 65.3 | 20% | 0.202 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -68.2 | -36.4 | 176.7 | -60.3 | 0 | 0 | 0 | 0 | 111.6 | A194 L253 T254 T255 L260 L261 | A194-T257 HydrophobicContact CB-CG2 4.41Å; L253-T257 WeakPolarHBondContact O-CB 3.23Å; L253-T257 PolarHBondContact O-N 2.86Å; L253-T257 PolarHBondContact O-OG1 2.92Å; T254-T257 PolarHBondContact O-N 3.35Å; T255-T257 PolarHBondContact O-N 3.47Å; T257-L260 PolarHBondContact O-N 3.16Å; T257-L261 HydrophobicContact CG2-CD1 3.87Å; T257-L261 HydrophobicContact CG2-CG 4.44Å; T257-L261 WeakPolarHBondContact O-CB 3.42Å; T257-L261 PolarHBondContact O-N 3.28Å |
| 258 | K | 91.8 | Very high | 92.1 | Very high | 160 Ų | 160 | 66.7 Ų | 66.7 | 70% | 0.696 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -64.7 | -41.4 | 172.1 | -74.2 | 174.1 | -178.8 | -179 | 0 | 111.8 | T254 T255 K256 L260 G262 | T254-K258 WeakPolarHBondContact O-CB 3.39Å; T254-K258 VanDerWaalsContact O-CG 3.28Å; T254-K258 WeakPolarHBondContact O-CG 3.4Å; T254-K258 PolarHBondContact O-N 3.21Å; T255-K258 PolarHBondContact O-N 3.25Å; K256-K258 VanDerWaalsContact C-N 3.34Å; K258-L260 VanDerWaalsContact C-N 3.29Å; K258-L260 PolarHBondContact O-N 3.31Å; K258-G262 WeakPolarHBondContact O-CA 3.49Å; K258-G262 PolarHBondContact O-N 2.92Å |
| 259 | E | 89.1 | Confident | 91.9 | Very high | 97 Ų | 97 | 67.6 Ų | 67.6 | 45% | 0.453 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61 | -38 | 174.2 | -174 | -173.9 | 154.6 | 0 | 0 | 112.1 | T255 K256 | T255-E259 PolarHBondContact O-N 3.22Å; K256-E259 WeakPolarHBondContact CD-OE2 3.35Å; K256-E259 WeakPolarHBondContact CE-OE2 3.45Å; K256-E259 IonicContact NZ-OE1 3.88Å; K256-E259 PolarHBondContact NZ-OE1 3.49Å; K256-E259 IonicContact NZ-OE2 2.89Å; K256-E259 PolarHBondContact NZ-OE2 3.22Å; K256-E259 WeakPolarHBondContact O-CB 3.41Å; K256-E259 PolarHBondContact O-N 3.1Å |
| 260 | L | 88.8 | Confident | 91.6 | Very high | 1 Ų | 1 | 72.8 Ų | 72.8 | 1% | 0.005 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -74.1 | -37.5 | -179.3 | -72 | 173.7 | 0 | 0 | 0 | 114.2 | L107 I109 R190 L193 A197 K256 T257 K258 | L107-L260 HydrophobicContact CB-CD1 4.46Å; L107-L260 WeakPolarHBondContact O-CD2 3.09Å; I109-L260 HydrophobicContact CD1-CD2 4.28Å; I109-L260 HydrophobicContact CG1-CD2 3.76Å; R190-L260 WeakPolarHBondContact CB-O 3.39Å; R190-L260 WeakPolarHBondContact CD-O 3.29Å; L193-L260 HydrophobicContact CB-CD1 3.99Å; L193-L260 HydrophobicContact CB-CD2 3.94Å; L193-L260 HydrophobicContact CD1-CD2 3.91Å; A197-L260 HydrophobicContact CB-CD1 4.25Å; K256-L260 VanDerWaalsContact O-CG 3.26Å; K256-L260 WeakPolarHBondContact O-CG 3.29Å; K256-L260 PolarHBondContact O-N 2.97Å; T257-L260 PolarHBondContact O-N 3.16Å; K258-L260 VanDerWaalsContact C-N 3.29Å; K258-L260 PolarHBondContact O-N 3.31Å |
| 261 | L | 87.1 | Confident | 91.2 | Very high | 92 Ų | 92 | 73.5 Ų | 73.5 | 48% | 0.482 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -98.3 | -20.9 | -174.5 | -64.2 | 178 | 0 | 0 | 0 | 113.9 | R190 E191 A194 T257 | R190-L261 HydrophobicContact CB-CD2 4.45Å; E191-L261 HydrophobicContact CG-CD2 4.26Å; A194-L261 HydrophobicContact CB-CD1 4.48Å; A194-L261 HydrophobicContact CB-CD2 4.26Å; A194-L261 HydrophobicContact CB-CG 4.36Å; T257-L261 HydrophobicContact CG2-CD1 3.87Å; T257-L261 HydrophobicContact CG2-CG 4.44Å; T257-L261 WeakPolarHBondContact O-CB 3.42Å; T257-L261 PolarHBondContact O-N 3.28Å |
| 262 | G | 80.1 | Confident | 90.8 | Very high | 94 Ų | 94 | 69 Ų | 69 | 97% | 0.969 | 40% | 0.396 | S | S | * | . | trans | -63.7 | 0 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R190 K258 | R190-G262 PolarHBondContact NH1-OXT 2.92Å; K258-G262 WeakPolarHBondContact O-CA 3.49Å; K258-G262 PolarHBondContact O-N 2.92Å |
Retrieved 262 of 262 residues in 42.6 ms
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