| 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 | S | 38.4 | Very low | 28.7 | Very low | 171 Ų | 171 | 165.3 Ų | 165.3 | 100% | 1.196 | 88% | 0.882 | S | S | * | * | 0 | 99.1 | 0 | -71.5 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 2 | T | 29.2 | Very low | 28.7 | Very low | 140 Ų | 140 | 166.5 Ų | 166.5 | 86% | 0.859 | 88% | 0.879 | S | S | * | * | trans | 177.3 | 99.8 | 154.6 | 25.2 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 3 | L | 28.6 | Very low | 28.6 | Very low | 173 Ų | 173 | 165.4 Ų | 165.4 | 91% | 0.906 | 87% | 0.874 | S | S | * | * | trans | -96.8 | 110.1 | 171.5 | -89.9 | 157.4 | 0 | 0 | 0 | 105.4 | Q5 | L3-Q5 PolarHBondContact O-N 3.36Š| ||
| 4 | D | 27.2 | Very low | 28.5 | Very low | 155 Ų | 155 | 168 Ų | 168 | 83% | 0.829 | 88% | 0.879 | S | S | * | * | trans | -68.8 | 123.6 | 169.4 | -76.7 | -40.4 | 0 | 0 | 0 | 109.4 | ||||
| 5 | Q | 31.9 | Very low | 28.4 | Very low | 190 Ų | 190 | 168.9 Ų | 168.9 | 89% | 0.888 | 88% | 0.877 | S | S | * | * | trans | -86.1 | 101.9 | 168.2 | -74.1 | 176.1 | -32.1 | 0 | 0 | 107.4 | L3 | L3-Q5 PolarHBondContact O-N 3.36Š| ||
| 6 | E | 26.9 | Very low | 28.2 | Very low | 187 Ų | 187 | 167.3 Ų | 167.3 | 87% | 0.874 | 86% | 0.864 | S | S | * | * | trans | -82.8 | 118.1 | 163.2 | -91 | -176.3 | 152.5 | 0 | 0 | 109.9 | L8 | E6-L8 PolarHBondContact O-N 3.19Š| ||
| 7 | E | 25.6 | Very low | 28.1 | Very low | 186 Ų | 186 | 167.2 Ų | 167.2 | 87% | 0.869 | 86% | 0.863 | S | S | * | * | trans | -51.9 | 120.9 | 169.5 | -89 | 170.3 | 127.6 | 0 | 0 | 111.9 | E9 | E7-E9 PolarHBondContact O-N 3.48Š| ||
| 8 | L | 26.5 | Very low | 27.9 | Very low | 173 Ų | 173 | 165.7 Ų | 165.7 | 91% | 0.906 | 85% | 0.852 | S | S | * | * | trans | -81.1 | 98.7 | 161.7 | -95.6 | 105.9 | 0 | 0 | 0 | 109.6 | E6 | E6-L8 PolarHBondContact O-N 3.19Š| ||
| 9 | E | 25.6 | Very low | 27.7 | Very low | 164 Ų | 164 | 163.4 Ų | 163.4 | 77% | 0.766 | 84% | 0.84 | S | S | * | * | trans | -66.1 | 139.1 | 158.3 | -68.3 | -168.8 | 154.9 | 0 | 0 | 110.8 | E7 L11 | E7-E9 PolarHBondContact O-N 3.48Å; E9-L11 PolarHBondContact O-N 3.1Å | ||
| 10 | P | 29.1 | Very low | 27.6 | Very low | 121 Ų | 121 | 164.4 Ų | 164.4 | 79% | 0.786 | 84% | 0.838 | S | S | * | * | trans | -87.4 | 103.9 | 168 | 31.1 | -25.8 | 0 | 0 | 0 | 110.1 | Q12 | P10-Q12 PolarHBondContact O-N 3.33Š| ||
| 11 | L | 26.7 | Very low | 27.4 | Very low | 158 Ų | 158 | 163.1 Ų | 163.1 | 83% | 0.827 | 83% | 0.829 | S | S | * | * | trans | -51.7 | 123.3 | 169.5 | -76.7 | 163.2 | 0 | 0 | 0 | 111.4 | E9 | E9-L11 PolarHBondContact O-N 3.1Š| ||
| 12 | Q | 28.9 | Very low | 26.9 | Very low | 180 Ų | 180 | 163.2 Ų | 163.2 | 84% | 0.841 | 81% | 0.81 | S | S | * | * | trans | -69.7 | 121.8 | 164 | -63.7 | 175.5 | -34.4 | 0 | 0 | 108.1 | P10 | P10-Q12 PolarHBondContact O-N 3.33Š| ||
| 13 | D | 28 | Very low | 26.7 | Very low | 152 Ų | 152 | 160.9 Ų | 160.9 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | trans | -164.3 | 96.8 | 159.7 | -90.9 | -31.1 | 0 | 0 | 0 | 108.9 | ||||
| 14 | E | 26.8 | Very low | 26.8 | Very low | 202 Ų | 202 | 158.4 Ų | 158.4 | 94% | 0.944 | 78% | 0.784 | S | S | * | * | trans | -140.5 | 88.3 | 155.2 | -78.1 | -163.4 | 165.2 | 0 | 0 | 108.5 | ||||
| 15 | E | 26.2 | Very low | 26.9 | Very low | 181 Ų | 181 | 156.8 Ų | 156.8 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | trans | -85.8 | 112.3 | 165.9 | -150.9 | 174.8 | -168.1 | 0 | 0 | 110.1 | ||||
| 16 | Q | 26.5 | Very low | 26.8 | Very low | 143 Ų | 143 | 150.7 Ų | 150.7 | 67% | 0.668 | 76% | 0.757 | S | S | * | * | trans | 25.5 | 120.1 | 149.3 | -54.9 | -172.8 | 28.6 | 0 | 0 | 120.9 | ||||
| 17 | I | 25.4 | Very low | 26.9 | Very low | 166 Ų | 166 | 150.5 Ų | 150.5 | 85% | 0.851 | 76% | 0.759 | S | S | * | * | trans | -122.2 | 96.8 | 133.8 | -60.9 | 179.2 | 0 | 0 | 0 | 107.5 | L19 | I17-L19 PolarHBondContact O-N 3.14Š| ||
| 18 | E | 24.6 | Very low | 27 | Very low | 141 Ų | 141 | 147.5 Ų | 147.5 | 66% | 0.659 | 75% | 0.753 | S | S | * | * | trans | -63.9 | 106.3 | 163.8 | -94.1 | -167.5 | 154.1 | 0 | 0 | 109.2 | ||||
| 19 | L | 23.5 | Very low | 27.1 | Very low | 121 Ų | 121 | 145.5 Ų | 145.5 | 63% | 0.634 | 74% | 0.743 | S | S | * | * | trans | -92.9 | 103.1 | 153.6 | -152.8 | 80.9 | 0 | 0 | 0 | 106.2 | I17 Q21 | I17-L19 PolarHBondContact O-N 3.14Å; L19-Q21 HydrophobicContact CD2-CG 4.2Å; L19-Q21 PolarHBondContact O-N 3.22Å | ||
| 20 | K | 27.1 | Very low | 27.2 | Very low | 183 Ų | 183 | 142.6 Ų | 142.6 | 80% | 0.796 | 74% | 0.738 | S | S | * | * | trans | -62.2 | 87.3 | 169.9 | -73.4 | -179.9 | 179.5 | 176.8 | 0 | 109.2 | ||||
| 21 | Q | 23.9 | Very low | 27.1 | Very low | 139 Ų | 139 | 142.1 Ų | 142.1 | 65% | 0.65 | 73% | 0.733 | S | S | * | * | trans | -106.4 | 99.2 | 156.7 | -70.9 | -174.2 | -16.6 | 0 | 0 | 106.1 | L19 T23 | L19-Q21 HydrophobicContact CD2-CG 4.2Å; L19-Q21 PolarHBondContact O-N 3.22Å; Q21-T23 HydrophobicContact CB-CG2 4.3Å; Q21-T23 PolarHBondContact O-N 3.24Å | ||
| 22 | E | 26.9 | Very low | 27.2 | Very low | 172 Ų | 172 | 142.1 Ų | 142.1 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | trans | -61.5 | 85.6 | 166.1 | -71.6 | -173 | 175.8 | 0 | 0 | 108.3 | K185 | E22-K185 IonicContact OE2-NZ 3.17Å; E22-K185 PolarHBondContact OE2-NZ 3.16Å | ||
| 23 | T | 26 | Very low | 27.1 | Very low | 91 Ų | 91 | 140.1 Ų | 140.1 | 56% | 0.558 | 72% | 0.724 | S | S | * | * | trans | -91.1 | 114.1 | 171.3 | 48.9 | 0 | 0 | 0 | 0 | 107.6 | Q21 T25 | Q21-T23 HydrophobicContact CB-CG2 4.3Å; Q21-T23 PolarHBondContact O-N 3.24Å; T23-T25 PolarHBondContact O-N 3.43Å; T23-T25 PolarHBondContact O-OG1 2.89Å | ||
| 24 | D | 30.5 | Very low | 27.1 | Very low | 121 Ų | 121 | 142 Ų | 142 | 65% | 0.647 | 73% | 0.728 | S | S | * | * | trans | -62.2 | 77.4 | 174.2 | -132.2 | -5.9 | 0 | 0 | 0 | 109 | C26 | D24-C26 VanDerWaalsContact C-N 3.3Å; D24-C26 PolarHBondContact O-N 3.5Å | ||
| 25 | T | 29 | Very low | 27.2 | Very low | 121 Ų | 121 | 138.5 Ų | 138.5 | 74% | 0.742 | 72% | 0.721 | S | S | * | * | trans | -87.2 | 71.2 | -175.7 | 32.6 | 0 | 0 | 0 | 0 | 109.8 | T23 | T23-T25 PolarHBondContact O-N 3.43Å; T23-T25 PolarHBondContact O-OG1 2.89Å | ||
| 26 | C | 29.7 | Very low | 27.3 | Very low | 62 Ų | 62 | 135.5 Ų | 135.5 | 42% | 0.419 | 72% | 0.72 | S | S | . | * | trans | -79.3 | 117.5 | 151.4 | -74.2 | 0 | 0 | 0 | 0 | 107.3 | D24 V28 C192 | D24-C26 VanDerWaalsContact C-N 3.3Å; D24-C26 PolarHBondContact O-N 3.5Å; C26-V28 PolarHBondContact O-N 3.19Å; C26-C192 PolarHBondContact SG-SG 3.43Å | ||
| 27 | M | 27.9 | Very low | 27.4 | Very low | 184 Ų | 184 | 137.2 Ų | 137.2 | 91% | 0.906 | 73% | 0.728 | S | S | * | * | trans | -49.5 | 113.5 | 174.7 | -69.9 | -162.5 | 175.4 | 0 | 0 | 110.2 | ||||
| 28 | V | 29.2 | Very low | 27.5 | Very low | 123 Ų | 123 | 135.2 Ų | 135.2 | 75% | 0.745 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 123.1 | 161.2 | -109.6 | 0 | 0 | 0 | 0 | 106.6 | C26 | C26-V28 PolarHBondContact O-N 3.19Š|
| 29 | D | 26.8 | Very low | 27.5 | Very low | 130 Ų | 130 | 137.1 Ų | 137.1 | 70% | 0.695 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 144.4 | 169.7 | -67 | -49.9 | 0 | 0 | 0 | 110.1 | V31 | D29-V31 PolarHBondContact O-N 3.08Š|
| 30 | P | 27.9 | Very low | 27.6 | Very low | 104 Ų | 104 | 136.4 Ų | 136.4 | 68% | 0.675 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 139.2 | -175.4 | -23.5 | 31.9 | 0 | 0 | 0 | 112.9 | D32 | P30-D32 PolarHBondContact O-N 3.27Š|
| 31 | V | 28.6 | Very low | 27.7 | Very low | 110 Ų | 110 | 135.9 Ų | 135.9 | 67% | 0.667 | 74% | 0.737 | S | S | * | * | trans | -80.7 | 104.2 | 161.6 | -177.3 | 0 | 0 | 0 | 0 | 105.5 | D29 | D29-V31 PolarHBondContact O-N 3.08Š| ||
| 32 | D | 27.4 | Very low | 28.4 | Very low | 159 Ų | 159 | 134.6 Ų | 134.6 | 85% | 0.85 | 74% | 0.741 | S | S | * | * | trans | -81 | 122.2 | 159.9 | -82.4 | -36.6 | 0 | 0 | 0 | 107.5 | P30 | P30-D32 PolarHBondContact O-N 3.27Š| ||
| 33 | E | 26.9 | Very low | 28.6 | Very low | 137 Ų | 137 | 132.4 Ų | 132.4 | 64% | 0.64 | 74% | 0.735 | S | S | * | * | trans | -117.8 | 100.8 | -177.2 | -176.2 | 179.3 | -152 | 0 | 0 | 104.5 | K274 | E33-K274 IonicContact OE2-NZ 3.55Å; E33-K274 PolarHBondContact OE2-NZ 3.08Å | ||
| 34 | Q | 29 | Very low | 28.8 | Very low | 192 Ų | 192 | 139.4 Ų | 139.4 | 90% | 0.897 | 75% | 0.751 | S | S | * | * | trans | -131 | 101.6 | 167.8 | -86.2 | -177.2 | -19 | 0 | 0 | 107.8 | ||||
| 35 | T | 28.3 | Very low | 28.9 | Very low | 128 Ų | 128 | 140.5 Ų | 140.5 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | trans | -84.6 | 130.9 | 162.5 | 41.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 36 | S | 29.2 | Very low | 29.1 | Very low | 119 Ų | 119 | 143 Ų | 143 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | trans | -147.2 | 114.3 | 149.4 | 57.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 37 | H | 27.9 | Very low | 29.1 | Very low | 179 Ų | 179 | 146.2 Ų | 146.2 | 83% | 0.829 | 78% | 0.778 | S | S | * | * | trans | -70.4 | 160.9 | 154.4 | -61.2 | -80.4 | 0 | 0 | 0 | 108.4 | ||||
| 38 | T | 26.7 | Very low | 29.3 | Very low | 123 Ų | 123 | 143.8 Ų | 143.8 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | cis | -151.1 | 157.8 | 16.7 | 36.5 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 39 | E | 24.4 | Very low | 30.2 | Very low | 182 Ų | 182 | 145.7 Ų | 145.7 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | -163.2 | 152.2 | 68.6 | -80.3 | -179.9 | 160.4 | 0 | 0 | 112.7 | |||||
| 40 | S | 26.1 | Very low | 30.6 | Very low | 105 Ų | 105 | 147.2 Ų | 147.2 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | trans | -50.4 | 128.7 | 174.1 | 43 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 41 | E | 28.5 | Very low | 30.9 | Very low | 172 Ų | 172 | 150.6 Ų | 150.6 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | 82.6 | 155.1 | 98.9 | -90.9 | -161.5 | -160 | 0 | 0 | 115.4 | |||||
| 42 | P | 38.7 | Very low | 31.6 | Very low | 112 Ų | 112 | 150.7 Ų | 150.7 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | cis | -136.6 | 151.7 | 28.8 | 36.1 | -15 | 0 | 0 | 0 | 118.8 | ||||
| 43 | N | 32.3 | Very low | 32.2 | Very low | 126 Ų | 126 | 147.2 Ų | 147.2 | 67% | 0.674 | 79% | 0.787 | S | S | * | * | 15.6 | 123.3 | 126 | -159.2 | -1.4 | 0 | 0 | 0 | 118.6 | N45 | N43-N45 PolarHBondContact OD1-N 3.26Š| |||
| 44 | R | 30.7 | Very low | 32.9 | Very low | 239 Ų | 239 | 149.1 Ų | 149.1 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | trans | -149.7 | 79.9 | 143.1 | -151.8 | 176.4 | -172.4 | -176.8 | 2.8 | 110.9 | ||||
| 45 | N | 32.6 | Very low | 33.7 | Very low | 144 Ų | 144 | 148.3 Ų | 148.3 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | trans | -87.2 | 148 | 150.4 | -99.8 | -16.1 | 0 | 0 | 0 | 109.9 | N43 | N43-N45 PolarHBondContact OD1-N 3.26Š| ||
| 46 | Q | 31.7 | Very low | 34.3 | Very low | 173 Ų | 173 | 151.3 Ų | 151.3 | 81% | 0.808 | 80% | 0.801 | S | S | * | * | trans | 77.9 | 125.9 | 177.5 | -66.2 | 171.8 | -19.4 | 0 | 0 | 113.9 | ||||
| 47 | V | 29.8 | Very low | 34.8 | Very low | 129 Ų | 129 | 152.9 Ų | 152.9 | 78% | 0.782 | 80% | 0.8 | S | S | * | * | cis | -147.6 | 137.8 | 40 | -170.7 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 48 | I | 33.5 | Very low | 35.8 | Very low | 134 Ų | 134 | 153.6 Ų | 153.6 | 69% | 0.687 | 80% | 0.804 | S | S | * | * | -161.4 | 123.1 | 77.3 | -75.5 | 164 | 0 | 0 | 0 | 108.5 | Q50 | I48-Q50 HydrophobicContact CG2-CB 4.13Š| |||
| 49 | I | 46.6 | Very low | 36.8 | Very low | 163 Ų | 163 | 155.3 Ų | 155.3 | 84% | 0.836 | 81% | 0.808 | S | S | * | * | trans | -74.4 | 130.6 | 153.4 | -68.6 | 165.6 | 0 | 0 | 0 | 106 | ||||
| 50 | Q | 36.1 | Very low | 37.6 | Very low | 162 Ų | 162 | 155.5 Ų | 155.5 | 76% | 0.757 | 81% | 0.809 | S | S | * | * | trans | 116 | 97.7 | -171.2 | -73.3 | 159.3 | -17.8 | 0 | 0 | 106.2 | I48 | I48-Q50 HydrophobicContact CG2-CB 4.13Š| ||
| 51 | E | 33 | Very low | 38.5 | Very low | 175 Ų | 175 | 157.3 Ų | 157.3 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | cis | -143.4 | 102.4 | 47.2 | -74.2 | 153.1 | 147.8 | 0 | 0 | 110.5 | A53 | E51-A53 PolarHBondContact O-N 3.15Å; E51-A53 VanDerWaalsContact O-N 3.16Å | ||
| 52 | A | 44.5 | Very low | 39.8 | Very low | 111 Ų | 111 | 159.4 Ų | 159.4 | 92% | 0.917 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | 72.3 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||
| 53 | A | 40.6 | Very low | 40.7 | Very low | 87 Ų | 87 | 163.2 Ų | 163.2 | 72% | 0.719 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -166 | 24.9 | 171 | 0 | 0 | 0 | 0 | 0 | 115 | E51 | E51-A53 PolarHBondContact O-N 3.15Å; E51-A53 VanDerWaalsContact O-N 3.16Å |
| 54 | E | 40.2 | Very low | 42.8 | Very low | 176 Ų | 176 | 162.7 Ų | 162.7 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -149.1 | 21.6 | -178.9 | -113 | 169.4 | -140.8 | 0 | 0 | 116.7 | ||
| 55 | I | 45.5 | Very low | 45.2 | Very low | 176 Ų | 176 | 155.6 Ų | 155.6 | 90% | 0.903 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -125.6 | 55 | 165.1 | -46.6 | 178.2 | 0 | 0 | 0 | 109.5 | ||
| 56 | E | 41.8 | Very low | 47.5 | Very low | 191 Ų | 191 | 152.1 Ų | 152.1 | 89% | 0.893 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -127.7 | 15.4 | 169.7 | -127.7 | 175.5 | -166.4 | 0 | 0 | 112.8 | ||
| 57 | N | 40.6 | Very low | 49.9 | Very low | 151 Ų | 151 | 147 Ų | 147 | 81% | 0.807 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -133 | 43.5 | -176.2 | -137.8 | -2.7 | 0 | 0 | 0 | 114.7 | ||
| 58 | Q | 48.3 | Very low | 52.5 | Low | 195 Ų | 195 | 141 Ų | 141 | 91% | 0.911 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -131.5 | 14.1 | 160.5 | -74.2 | -170 | 3 | 0 | 0 | 113.8 | ||
| 59 | N | 46.8 | Very low | 54.7 | Low | 158 Ų | 158 | 141.4 Ų | 141.4 | 85% | 0.845 | 72% | 0.716 | S | S | * | * | trans | -110 | 65.4 | 166.6 | -86.7 | -31.4 | 0 | 0 | 0 | 109.8 | E61 | N59-E61 PolarHBondContact O-N 3.48Å; N59-E61 VanDerWaalsContact O-N 3.07Å | ||
| 60 | Q | 41.7 | Very low | 56.3 | Low | 187 Ų | 187 | 137.9 Ų | 137.9 | 87% | 0.874 | 70% | 0.703 | S | S | * | * | trans | -57.2 | 115.1 | 152.5 | -97.9 | 177.1 | -16.9 | 0 | 0 | 107.8 | R62 | Q60-R62 PolarHBondContact O-N 3.35Š| ||
| 61 | E | 45.5 | Very low | 58.6 | Low | 143 Ų | 143 | 132.8 Ų | 132.8 | 67% | 0.668 | 68% | 0.684 | S | S | * | * | trans | -31.7 | 118 | 178.1 | -56.3 | -178.9 | 144.4 | 0 | 0 | 113.6 | N59 R63 | N59-E61 PolarHBondContact O-N 3.48Å; N59-E61 VanDerWaalsContact O-N 3.07Å; E61-R63 HydrophobicContact CB-CG 4.2Å; E61-R63 PolarHBondContact O-N 2.82Å; E61-R63 IonicContact OE2-NE 2.87Å | ||
| 62 | R | 56.1 | Low | 60.9 | Low | 215 Ų | 215 | 127.1 Ų | 127.1 | 81% | 0.811 | 67% | 0.673 | S | S | * | * | trans | -65.7 | 85.1 | 148.5 | -74.9 | -167.8 | -170.1 | -140.8 | 3.2 | 106.6 | Q60 K64 | Q60-R62 PolarHBondContact O-N 3.35Å; R62-K64 PolarHBondContact O-N 2.95Å | ||
| 63 | R | 57.9 | Low | 62.8 | Low | 192 Ų | 192 | 127.7 Ų | 127.7 | 73% | 0.725 | 65% | 0.654 | S | S | * | * | trans | -50 | 120.9 | 171.8 | -78.3 | -170.7 | 173.1 | -168.6 | 0.8 | 107.8 | E61 P65 | E61-R63 HydrophobicContact CB-CG 4.2Å; E61-R63 PolarHBondContact O-N 2.82Å; E61-R63 IonicContact OE2-NE 2.87Å; R63-P65 WeakPolarHBondContact O-CD 3.37Å | ||
| 64 | K | 76.2 | Confident | 65 | Low | 116 Ų | 116 | 126.2 Ų | 126.2 | 50% | 0.504 | 64% | 0.639 | S | S | . | * | trans | -110.9 | 67.8 | 174.8 | -72.9 | 173.3 | 176.5 | -178.6 | 0 | 109.2 | R62 F66 S74 F75 | R62-K64 PolarHBondContact O-N 2.95Å; K64-F66 PolarHBondContact O-N 3.08Å; K64-F66 VanDerWaalsContact O-N 3.14Å; K64-S74 WeakPolarHBondContact CD-O 3.41Å; K64-F75 CarbonylContact C-O 3.52Å; K64-F75 WeakPolarHBondContact CA-O 3.12Å | ||
| 65 | P | 79.4 | Confident | 67.2 | Low | 89 Ų | 89 | 119.8 Ų | 119.8 | 58% | 0.578 | 61% | 0.608 | S | S | * | * | trans | -71.5 | -9.3 | -169.3 | 29.7 | -35.1 | 0 | 0 | 0 | 113.3 | R63 | R63-P65 WeakPolarHBondContact O-CD 3.37Š| ||
| 66 | F | 82.1 | Confident | 69.1 | Low | 72 Ų | 72 | 114 Ų | 114 | 32% | 0.316 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.5 | 103.8 | -176.6 | -55.6 | -72.7 | 0 | 0 | 0 | 110.3 | K64 S74 F75 K78 L81 | K64-F66 PolarHBondContact O-N 3.08Å; K64-F66 VanDerWaalsContact O-N 3.14Å; F66-S74 CarbonylContact O-C 3.51Å; F66-S74 WeakPolarHBondContact O-CA 3.49Å; F66-F75 HydrophobicContact CB-CB 4.41Å; F66-F75 PolarHBondContact N-O 3.04Å; F66-F75 WeakPolarHBondContact O-CD2 3.5Å; F66-F75 PolarHBondContact O-N 3.33Å; F66-K78 HydrophobicContact CD1-CB 4Å; F66-K78 HydrophobicContact CD1-CG 4.26Å; F66-K78 HydrophobicContact CD2-CB 4.3Å; F66-K78 HydrophobicContact CE1-CB 3.8Å; F66-K78 HydrophobicContact CE1-CD 4.39Å; F66-K78 HydrophobicContact CE1-CG 4.2Å; F66-K78 HydrophobicContact CE2-CB 4.1Å; F66-K78 VanDerWaalsContact CE2-N 3.34Å; F66-K78 HydrophobicContact CG-CB 4.24Å; F66-K78 HydrophobicContact CZ-CB 3.86Å; F66-L81 HydrophobicContact CB-CB 4.05Å; F66-L81 HydrophobicContact CB-CD2 3.79Å |
| 67 | S | 81.1 | Confident | 71.2 | Confident | 65 Ų | 65 | 110.2 Ų | 110.2 | 46% | 0.455 | 57% | 0.566 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.7 | 138.5 | 179.2 | 53.9 | 0 | 0 | 0 | 0 | 112.6 | V69 K73 | S67-V69 PolarHBondContact O-N 3.14Å; S67-K73 CarbonylContact C-O 3.29Å; S67-K73 WeakPolarHBondContact CA-O 3.25Å |
| 68 | C | 85.9 | Confident | 73.3 | Confident | 3 Ų | 3 | 109.9 Ų | 109.9 | 2% | 0.02 | 56% | 0.557 | C | S | . | * | trans | -76.2 | 119.4 | 171.4 | 177.2 | 0 | 0 | 0 | 0 | 110 | T70 C71 G72 K73 F75 L81 H84 M85 | C68-T70 VanDerWaalsContact C-N 3.26Å; C68-T70 PolarHBondContact O-N 3.49Å; C68-T70 PolarHBondContact SG-N 3.4Å; C68-C71 VanDerWaalsContact SG-SG 3.66Å; C68-G72 WeakPolarHBondContact O-CA 3.4Å; C68-G72 PolarHBondContact O-N 3.49Å; C68-K73 HydrophobicContact CB-CB 4.5Å; C68-K73 PolarHBondContact N-O 3.41Å; C68-F75 HydrophobicContact CB-CE2 4.23Å; C68-L81 HydrophobicContact CB-CD1 3.64Å; C68-H84 PolarHBondContact SG-NE2 3.38Å; C68-M85 HydrophobicContact CB-SD 4.37Å | ||
| 69 | V | 79.9 | Confident | 74.9 | Confident | 143 Ų | 143 | 107.5 Ų | 107.5 | 87% | 0.867 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -29 | 179.9 | -174.7 | 0 | 0 | 0 | 0 | 111.6 | S67 | S67-V69 PolarHBondContact O-N 3.14Š|
| 70 | T | 79.8 | Confident | 76.5 | Confident | 89 Ų | 89 | 101.8 Ų | 101.8 | 55% | 0.546 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -28.3 | -176.6 | -43.9 | 0 | 0 | 0 | 0 | 113.8 | C68 H88 | C68-T70 VanDerWaalsContact C-N 3.26Å; C68-T70 PolarHBondContact O-N 3.49Å; C68-T70 PolarHBondContact SG-N 3.4Å; T70-H88 WeakPolarHBondContact CG2-ND1 3.41Å |
| 71 | C | 84.6 | Confident | 78.5 | Confident | 55 Ų | 55 | 94.2 Ų | 94.2 | 37% | 0.372 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139.4 | 10.2 | -178.2 | 73.2 | 0 | 0 | 0 | 0 | 115.6 | C68 K73 H84 H88 | C68-C71 VanDerWaalsContact SG-SG 3.66Å; C71-K73 PolarHBondContact O-N 3.5Å; C71-K73 VanDerWaalsContact O-N 3.11Å; C71-H84 PolarHBondContact SG-CE1 3.49Å; C71-H84 PolarHBondContact SG-NE2 2.88Å; C71-H88 PolarHBondContact SG-NE2 3.17Å |
| 72 | G | 80.9 | Confident | 80.1 | Confident | 56 Ų | 56 | 91.6 Ų | 91.6 | 58% | 0.577 | 48% | 0.478 | S | S | * | . | trans | 70.5 | 1.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | C68 S74 | C68-G72 WeakPolarHBondContact O-CA 3.4Å; C68-G72 PolarHBondContact O-N 3.49Å; G72-S74 PolarHBondContact O-N 3.39Å | ||
| 73 | K | 84.9 | Confident | 81.2 | Confident | 122 Ų | 122 | 85 Ų | 85 | 53% | 0.53 | 46% | 0.457 | S | S | . | . | trans | -70.2 | 130.8 | -178.1 | -70.9 | -176 | -175 | 179 | 0 | 111.4 | S67 C68 C71 F75 | S67-K73 CarbonylContact C-O 3.29Å; S67-K73 WeakPolarHBondContact CA-O 3.25Å; C68-K73 HydrophobicContact CB-CB 4.5Å; C68-K73 PolarHBondContact N-O 3.41Å; C71-K73 PolarHBondContact O-N 3.5Å; C71-K73 VanDerWaalsContact O-N 3.11Å; K73-F75 HydrophobicContact CB-CE2 3.73Å; K73-F75 HydrophobicContact CB-CZ 3.8Å; K73-F75 WeakPolarHBondContact O-CD2 3.5Å; K73-F75 WeakPolarHBondContact O-CE2 3.4Å | ||
| 74 | S | 85.9 | Confident | 82.3 | Confident | 57 Ų | 57 | 76.6 Ų | 76.6 | 40% | 0.399 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 140.2 | -179.6 | -61.1 | 0 | 0 | 0 | 0 | 112 | K64 F66 G72 | K64-S74 WeakPolarHBondContact CD-O 3.41Å; F66-S74 CarbonylContact O-C 3.51Å; F66-S74 WeakPolarHBondContact O-CA 3.49Å; G72-S74 PolarHBondContact O-N 3.39Å |
| 75 | F | 86.7 | Confident | 82.3 | Confident | 40 Ų | 40 | 74 Ų | 74 | 18% | 0.175 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 144 | -173.1 | -59 | -88.1 | 0 | 0 | 0 | 110.5 | K64 F66 C68 K73 Q77 L81 H84 | K64-F75 CarbonylContact C-O 3.52Å; K64-F75 WeakPolarHBondContact CA-O 3.12Å; F66-F75 HydrophobicContact CB-CB 4.41Å; F66-F75 PolarHBondContact N-O 3.04Å; F66-F75 WeakPolarHBondContact O-CD2 3.5Å; F66-F75 PolarHBondContact O-N 3.33Å; C68-F75 HydrophobicContact CB-CE2 4.23Å; K73-F75 HydrophobicContact CB-CE2 3.73Å; K73-F75 HydrophobicContact CB-CZ 3.8Å; K73-F75 WeakPolarHBondContact O-CD2 3.5Å; K73-F75 WeakPolarHBondContact O-CE2 3.4Å; F75-Q77 VanDerWaalsContact C-N 3.29Å; F75-L81 HydrophobicContact CB-CB 4.28Å; F75-L81 HydrophobicContact CD2-CB 3.84Å; F75-L81 HydrophobicContact CD2-CD1 3.7Å; F75-L81 HydrophobicContact CD2-CG 4.35Å; F75-L81 HydrophobicContact CE2-CD1 3.78Å; F75-L81 HydrophobicContact CG-CB 4.2Å; F75-H84 HydrophobicContact CE1-CB 3.89Å; F75-H84 HydrophobicContact CE2-CB 3.93Å; F75-H84 AromaticContact CE2-CD2 3.52Å; F75-H84 AromaticContact CE2-CG 3.67Å; F75-H84 HydrophobicContact CZ-CB 3.42Å; F75-H84 VanDerWaalsContact CZ-CB 3.42Å; F75-H84 AromaticContact CZ-CD2 3.53Å; F75-H84 AromaticContact CZ-CG 3.19Å; F75-H84 AromaticContact CZ-ND1 3.62Å |
| 76 | S | 86 | Confident | 82.3 | Confident | 56 Ų | 56 | 71 Ų | 71 | 39% | 0.392 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -76.7 | -17.2 | 178.3 | 51.4 | 0 | 0 | 0 | 0 | 113.2 | ||
| 77 | Q | 85.7 | Confident | 82 | Confident | 111 Ų | 111 | 71.5 Ų | 71.5 | 52% | 0.519 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -135.6 | 140.5 | -177.8 | -64.7 | 175.9 | 1.6 | 0 | 0 | 110.4 | F75 Q79 S80 L81 | F75-Q77 VanDerWaalsContact C-N 3.29Å; Q77-Q79 VanDerWaalsContact C-N 3.28Å; Q77-Q79 PolarHBondContact O-N 3.2Å; Q77-S80 WeakPolarHBondContact O-CB 3.29Å; Q77-S80 PolarHBondContact O-N 2.92Å; Q77-S80 VanDerWaalsContact O-N 3.13Å; Q77-L81 PolarHBondContact O-N 3.23Å |
| 78 | K | 83.4 | Confident | 81.8 | Confident | 143 Ų | 143 | 72.1 Ų | 72.1 | 62% | 0.622 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -58.2 | -40.8 | 177.5 | -171.3 | 176.4 | 179.7 | 179.2 | 0 | 111.6 | F66 S80 L81 T82 | F66-K78 HydrophobicContact CD1-CB 4Å; F66-K78 HydrophobicContact CD1-CG 4.26Å; F66-K78 HydrophobicContact CD2-CB 4.3Å; F66-K78 HydrophobicContact CE1-CB 3.8Å; F66-K78 HydrophobicContact CE1-CD 4.39Å; F66-K78 HydrophobicContact CE1-CG 4.2Å; F66-K78 HydrophobicContact CE2-CB 4.1Å; F66-K78 VanDerWaalsContact CE2-N 3.34Å; F66-K78 HydrophobicContact CG-CB 4.24Å; F66-K78 HydrophobicContact CZ-CB 3.86Å; K78-S80 VanDerWaalsContact C-N 3.29Å; K78-S80 PolarHBondContact O-N 3.23Å; K78-L81 WeakPolarHBondContact O-CB 3.21Å; K78-L81 PolarHBondContact O-N 3.44Å; K78-L81 VanDerWaalsContact O-N 3.1Å; K78-T82 PolarHBondContact O-N 3.37Å; K78-T82 PolarHBondContact O-OG1 3.41Å; K78-T82 VanDerWaalsContact O-OG1 3.08Å |
| 79 | Q | 81.7 | Confident | 81.3 | Confident | 146 Ų | 146 | 75.6 Ų | 75.6 | 68% | 0.682 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -59.1 | -38.3 | 177.4 | -171.2 | 179.7 | 19.8 | 0 | 0 | 112.5 | Q77 T82 Q83 | Q77-Q79 VanDerWaalsContact C-N 3.28Å; Q77-Q79 PolarHBondContact O-N 3.2Å; Q79-T82 PolarHBondContact O-N 3.31Å; Q79-Q83 VanDerWaalsContact O-CB 3.27Å; Q79-Q83 WeakPolarHBondContact O-CB 3.3Å; Q79-Q83 PolarHBondContact O-N 2.98Å |
| 80 | S | 81.7 | Confident | 80.8 | Confident | 37 Ų | 37 | 70.9 Ų | 70.9 | 26% | 0.259 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -68.2 | -36.1 | 176.6 | -52.6 | 0 | 0 | 0 | 0 | 112.2 | Q77 K78 H84 | Q77-S80 WeakPolarHBondContact O-CB 3.29Å; Q77-S80 PolarHBondContact O-N 2.92Å; Q77-S80 VanDerWaalsContact O-N 3.13Å; K78-S80 VanDerWaalsContact C-N 3.29Å; K78-S80 PolarHBondContact O-N 3.23Å; S80-H84 WeakPolarHBondContact O-CB 3.35Å; S80-H84 PolarHBondContact O-N 2.78Å |
| 81 | L | 82.3 | Confident | 80.5 | Confident | 29 Ų | 29 | 72.2 Ų | 72.2 | 15% | 0.152 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -66.5 | -48.7 | 171.6 | 174.6 | 61.4 | 0 | 0 | 0 | 110.7 | F66 C68 F75 Q77 K78 Q83 H84 M85 | F66-L81 HydrophobicContact CB-CB 4.05Å; F66-L81 HydrophobicContact CB-CD2 3.79Å; C68-L81 HydrophobicContact CB-CD1 3.64Å; F75-L81 HydrophobicContact CB-CB 4.28Å; F75-L81 HydrophobicContact CD2-CB 3.84Å; F75-L81 HydrophobicContact CD2-CD1 3.7Å; F75-L81 HydrophobicContact CD2-CG 4.35Å; F75-L81 HydrophobicContact CE2-CD1 3.78Å; F75-L81 HydrophobicContact CG-CB 4.2Å; Q77-L81 PolarHBondContact O-N 3.23Å; K78-L81 WeakPolarHBondContact O-CB 3.21Å; K78-L81 PolarHBondContact O-N 3.44Å; K78-L81 VanDerWaalsContact O-N 3.1Å; L81-Q83 VanDerWaalsContact C-N 3.28Å; L81-Q83 PolarHBondContact O-N 2.98Å; L81-H84 CarbonylContact O-C 3.58Å; L81-H84 WeakPolarHBondContact O-CA 3.46Å; L81-H84 WeakPolarHBondContact O-CB 3.37Å; L81-H84 PolarHBondContact O-N 3.16Å; L81-M85 HydrophobicContact CD1-CG 4.31Å; L81-M85 HydrophobicContact CD1-SD 4.14Å; L81-M85 WeakPolarHBondContact O-CG 3.27Å; L81-M85 PolarHBondContact O-N 3.47Å |
| 82 | T | 80.5 | Confident | 80 | Confident | 87 Ų | 87 | 77 Ų | 77 | 53% | 0.534 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -55.6 | -44.9 | 176.6 | -55 | 0 | 0 | 0 | 0 | 111.4 | K78 Q79 H84 M85 | K78-T82 PolarHBondContact O-N 3.37Å; K78-T82 PolarHBondContact O-OG1 3.41Å; K78-T82 VanDerWaalsContact O-OG1 3.08Å; Q79-T82 PolarHBondContact O-N 3.31Å; T82-H84 VanDerWaalsContact C-N 3.32Å; T82-H84 PolarHBondContact O-N 2.91Å; T82-M85 PolarHBondContact O-N 3.34Å |
| 83 | Q | 78.1 | Confident | 79.7 | Confident | 78 Ų | 78 | 81.4 Ų | 81.4 | 36% | 0.364 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.9 | -37.7 | 175.1 | 178.6 | -174.7 | -13.5 | 0 | 0 | 113 | Q79 L81 M86 L105 | Q79-Q83 VanDerWaalsContact O-CB 3.27Å; Q79-Q83 WeakPolarHBondContact O-CB 3.3Å; Q79-Q83 PolarHBondContact O-N 2.98Å; L81-Q83 VanDerWaalsContact C-N 3.28Å; L81-Q83 PolarHBondContact O-N 2.98Å; Q83-M86 HydrophobicContact CB-CE 4Å; Q83-M86 HydrophobicContact CG-CE 3.71Å; Q83-M86 WeakPolarHBondContact O-CB 3.34Å; Q83-M86 PolarHBondContact O-N 3.24Å; Q83-L105 VanDerWaalsContact CD-CD2 3.46Å; Q83-L105 HydrophobicContact CG-CD2 3.8Å |
| 84 | H | 81.2 | Confident | 79.5 | Confident | 15 Ų | 15 | 78.3 Ų | 78.3 | 7% | 0.069 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -68.3 | -33.7 | 175.8 | 168.9 | 73.6 | 0 | 0 | 0 | 112.4 | C68 C71 F75 S80 L81 T82 M86 I87 H88 | C68-H84 PolarHBondContact SG-NE2 3.38Å; C71-H84 PolarHBondContact SG-CE1 3.49Å; C71-H84 PolarHBondContact SG-NE2 2.88Å; F75-H84 HydrophobicContact CE1-CB 3.89Å; F75-H84 HydrophobicContact CE2-CB 3.93Å; F75-H84 AromaticContact CE2-CD2 3.52Å; F75-H84 AromaticContact CE2-CG 3.67Å; F75-H84 HydrophobicContact CZ-CB 3.42Å; F75-H84 VanDerWaalsContact CZ-CB 3.42Å; F75-H84 AromaticContact CZ-CD2 3.53Å; F75-H84 AromaticContact CZ-CG 3.19Å; F75-H84 AromaticContact CZ-ND1 3.62Å; S80-H84 WeakPolarHBondContact O-CB 3.35Å; S80-H84 PolarHBondContact O-N 2.78Å; L81-H84 CarbonylContact O-C 3.58Å; L81-H84 WeakPolarHBondContact O-CA 3.46Å; L81-H84 WeakPolarHBondContact O-CB 3.37Å; L81-H84 PolarHBondContact O-N 3.16Å; T82-H84 VanDerWaalsContact C-N 3.32Å; T82-H84 PolarHBondContact O-N 2.91Å; H84-M86 PolarHBondContact O-N 2.95Å; H84-I87 WeakPolarHBondContact O-CB 3.48Å; H84-I87 WeakPolarHBondContact O-CG1 3.27Å; H84-I87 PolarHBondContact O-N 3.36Å; H84-H88 AromaticContact CE1-NE2 3.9Å; H84-H88 AromaticContact NE2-CD2 3.97Å; H84-H88 AromaticContact NE2-NE2 3.46Å; H84-H88 PolarHBondContact NE2-NE2 3.29Å |
| 85 | M | 77.3 | Confident | 79.3 | Confident | 61 Ų | 61 | 79 Ų | 79 | 30% | 0.3 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.6 | -27.8 | 176 | -66.6 | -51.2 | -67 | 0 | 0 | 112.6 | C68 L81 T82 I87 H88 T89 | C68-M85 HydrophobicContact CB-SD 4.37Å; L81-M85 HydrophobicContact CD1-CG 4.31Å; L81-M85 HydrophobicContact CD1-SD 4.14Å; L81-M85 WeakPolarHBondContact O-CG 3.27Å; L81-M85 PolarHBondContact O-N 3.47Å; T82-M85 PolarHBondContact O-N 3.34Å; M85-I87 PolarHBondContact O-N 3.26Å; M85-H88 PolarHBondContact O-N 3.23Å; M85-T89 PolarHBondContact O-N 3Å; M85-T89 PolarHBondContact O-OG1 3.17Å |
| 86 | M | 78.3 | Confident | 79.1 | Confident | 27 Ų | 27 | 77.1 Ų | 77.1 | 13% | 0.133 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -60.3 | -14.9 | 171.9 | -61 | -168.3 | -84.1 | 0 | 0 | 113.9 | Q83 H84 T89 G90 R104 L105 | Q83-M86 HydrophobicContact CB-CE 4Å; Q83-M86 HydrophobicContact CG-CE 3.71Å; Q83-M86 WeakPolarHBondContact O-CB 3.34Å; Q83-M86 PolarHBondContact O-N 3.24Å; H84-M86 PolarHBondContact O-N 2.95Å; M86-T89 WeakPolarHBondContact CA-OG1 3.44Å; M86-G90 PolarHBondContact O-N 2.88Å; M86-R104 HydrophobicContact CE-CB 4.35Å; M86-L105 HydrophobicContact CE-CD2 4.44Å |
| 87 | I | 75.3 | Confident | 78.8 | Confident | 81 Ų | 81 | 81.2 Ų | 81.2 | 42% | 0.415 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -73 | -38.4 | 171.9 | -54.5 | -175 | 0 | 0 | 0 | 110.7 | H84 M85 | H84-I87 WeakPolarHBondContact O-CB 3.48Å; H84-I87 WeakPolarHBondContact O-CG1 3.27Å; H84-I87 PolarHBondContact O-N 3.36Å; M85-I87 PolarHBondContact O-N 3.26Å |
| 88 | H | 77 | Confident | 78.4 | Confident | 78 Ų | 78 | 80.3 Ų | 80.3 | 36% | 0.361 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -82.3 | -39.4 | -178.2 | -64.8 | -66.1 | 0 | 0 | 0 | 111.9 | T70 C71 H84 M85 G90 | T70-H88 WeakPolarHBondContact CG2-ND1 3.41Å; C71-H88 PolarHBondContact SG-NE2 3.17Å; H84-H88 AromaticContact CE1-NE2 3.9Å; H84-H88 AromaticContact NE2-CD2 3.97Å; H84-H88 AromaticContact NE2-NE2 3.46Å; H84-H88 PolarHBondContact NE2-NE2 3.29Å; M85-H88 PolarHBondContact O-N 3.23Å; H88-G90 VanDerWaalsContact C-N 3.3Å |
| 89 | T | 77.1 | Confident | 78.3 | Confident | 77 Ų | 77 | 76 Ų | 76 | 47% | 0.472 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -78.2 | -16.1 | 177.9 | 62.8 | 0 | 0 | 0 | 0 | 112.9 | M85 M86 E91 | M85-T89 PolarHBondContact O-N 3Å; M85-T89 PolarHBondContact O-OG1 3.17Å; M86-T89 WeakPolarHBondContact CA-OG1 3.44Å; T89-E91 PolarHBondContact O-N 3.29Å; T89-E91 WeakPolarHBondContact OG1-CG 3.41Å; T89-E91 PolarHBondContact OG1-OE2 3.28Å |
| 90 | G | 69.4 | Low | 78.2 | Confident | 44 Ų | 44 | 71.7 Ų | 71.7 | 45% | 0.454 | 40% | 0.402 | S | S | . | . | trans | 72.3 | 2.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | M86 H88 | M86-G90 PolarHBondContact O-N 2.88Å; H88-G90 VanDerWaalsContact C-N 3.3Å | ||
| 91 | E | 72.8 | Confident | 78.1 | Confident | 117 Ų | 117 | 76 Ų | 76 | 55% | 0.547 | 42% | 0.416 | S | S | . | . | trans | -61.3 | 132.6 | -178.2 | -70.8 | 170.1 | 164.7 | 0 | 0 | 111.7 | T89 | T89-E91 PolarHBondContact O-N 3.29Å; T89-E91 WeakPolarHBondContact OG1-CG 3.41Å; T89-E91 PolarHBondContact OG1-OE2 3.28Å | ||
| 92 | R | 74.8 | Confident | 78.1 | Confident | 156 Ų | 156 | 76.9 Ų | 76.9 | 59% | 0.589 | 43% | 0.425 | S | S | * | . | trans | -131.4 | 92.8 | -179.9 | -64.7 | 170.3 | -174.6 | 169.2 | 3.9 | 109 | F94 S102 V103 R104 | R92-F94 VanDerWaalsContact C-N 3.34Å; R92-F94 PolarHBondContact O-N 2.86Å; R92-S102 VanDerWaalsContact CB-CB 3.41Å; R92-S102 WeakPolarHBondContact CD-O 3.46Å; R92-V103 CarbonylContact C-O 3.5Å; R92-R104 HydrophobicContact CG-CG 4.38Å | ||
| 93 | Q | 74.4 | Confident | 78.1 | Confident | 147 Ų | 147 | 74.2 Ų | 74.2 | 69% | 0.687 | 41% | 0.408 | S | S | * | . | trans | -74.5 | -20.2 | -169.4 | -164.6 | 176.1 | 16.1 | 0 | 0 | 114.3 | V103 | Q93-V103 PolarHBondContact N-O 3.43Š| ||
| 94 | F | 79.5 | Confident | 78.2 | Confident | 58 Ų | 58 | 75 Ų | 75 | 25% | 0.254 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 115 | -173.6 | -57.5 | -80.1 | 0 | 0 | 0 | 110.5 | R92 S102 V103 K106 L109 | R92-F94 VanDerWaalsContact C-N 3.34Å; R92-F94 PolarHBondContact O-N 2.86Å; F94-S102 CarbonylContact O-C 3.54Å; F94-S102 VanDerWaalsContact O-CA 3.3Å; F94-S102 WeakPolarHBondContact O-CA 3.35Å; F94-V103 HydrophobicContact CB-CG2 4.01Å; F94-V103 PolarHBondContact N-O 2.99Å; F94-V103 VanDerWaalsContact N-O 3.09Å; F94-V103 WeakPolarHBondContact O-CG2 3.25Å; F94-V103 PolarHBondContact O-N 2.79Å; F94-K106 HydrophobicContact CD1-CB 4.15Å; F94-K106 HydrophobicContact CE1-CB 3.94Å; F94-K106 HydrophobicContact CE1-CG 4.4Å; F94-K106 HydrophobicContact CE2-CB 4.31Å; F94-K106 HydrophobicContact CG-CB 4.44Å; F94-K106 HydrophobicContact CZ-CB 4.03Å; F94-L109 HydrophobicContact CB-CB 4.28Å; F94-L109 HydrophobicContact CB-CD2 3.87Å |
| 95 | S | 81.5 | Confident | 78.3 | Confident | 70 Ų | 70 | 76.3 Ų | 76.3 | 49% | 0.49 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 142.3 | 180 | 53.9 | 0 | 0 | 0 | 0 | 112.3 | ||
| 96 | C | 84.1 | Confident | 78.5 | Confident | 2 Ų | 2 | 80.3 Ų | 80.3 | 1% | 0.014 | 43% | 0.431 | C | S | . | . | trans | -80.3 | 117.8 | 170.7 | 177.2 | 0 | 0 | 0 | 0 | 109.7 | T98 C99 G100 K101 L109 H112 M113 H116 | C96-T98 PolarHBondContact O-N 3.14Å; C96-C99 PolarHBondContact O-N 2.86Å; C96-G100 VanDerWaalsContact O-CA 3.23Å; C96-G100 WeakPolarHBondContact O-CA 3.43Å; C96-G100 PolarHBondContact O-N 2.79Å; C96-K101 HydrophobicContact CB-CB 4.42Å; C96-K101 WeakPolarHBondContact CB-O 3.34Å; C96-K101 PolarHBondContact N-O 3.03Å; C96-L109 HydrophobicContact CB-CD1 3.74Å; C96-H112 PolarHBondContact SG-NE2 3.47Å; C96-H112 VanDerWaalsContact SG-NE2 3.43Å; C96-M113 HydrophobicContact CB-SD 4.38Å; C96-H116 PolarHBondContact SG-NE2 2.84Å; C96-H116 VanDerWaalsContact SG-NE2 3.38Å | ||
| 97 | V | 78 | Confident | 78.7 | Confident | 142 Ų | 142 | 86.6 Ų | 86.6 | 86% | 0.861 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -30.8 | 178.8 | -175.5 | 0 | 0 | 0 | 0 | 111.9 | ||
| 98 | T | 78.1 | Confident | 79.1 | Confident | 92 Ų | 92 | 84.8 Ų | 84.8 | 56% | 0.564 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -30.6 | -176.6 | -44 | 0 | 0 | 0 | 0 | 114 | C96 H116 | C96-T98 PolarHBondContact O-N 3.14Å; T98-H116 HydrophobicContact CG2-CB 4.34Å |
| 99 | C | 82.3 | Confident | 79.5 | Confident | 53 Ų | 53 | 82.4 Ų | 82.4 | 36% | 0.358 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.8 | 10.1 | -174.7 | 73.8 | 0 | 0 | 0 | 0 | 114.9 | C96 K101 H112 H116 | C96-C99 PolarHBondContact O-N 2.86Å; C99-K101 PolarHBondContact O-N 2.83Å; C99-H112 PolarHBondContact SG-NE2 3.43Å; C99-H116 PolarHBondContact SG-NE2 3.06Å; C99-H116 VanDerWaalsContact SG-NE2 3.39Å |
| 100 | G | 78.5 | Confident | 79.9 | Confident | 55 Ų | 55 | 82.5 Ų | 82.5 | 57% | 0.567 | 44% | 0.442 | S | S | * | . | trans | 68.4 | 1.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | C96 S102 | C96-G100 VanDerWaalsContact O-CA 3.23Å; C96-G100 WeakPolarHBondContact O-CA 3.43Å; C96-G100 PolarHBondContact O-N 2.79Å; G100-S102 PolarHBondContact O-N 3.4Å | ||
| 101 | K | 79.8 | Confident | 80.6 | Confident | 127 Ų | 127 | 85.7 Ų | 85.7 | 55% | 0.552 | 44% | 0.44 | S | S | * | . | trans | -70.1 | 119.5 | -178 | -75.3 | -178.1 | -176.4 | 174.1 | 0 | 111.4 | C96 C99 | C96-K101 HydrophobicContact CB-CB 4.42Å; C96-K101 WeakPolarHBondContact CB-O 3.34Å; C96-K101 PolarHBondContact N-O 3.03Å; C99-K101 PolarHBondContact O-N 2.83Å | ||
| 102 | S | 81.6 | Confident | 81.3 | Confident | 48 Ų | 48 | 81.3 Ų | 81.3 | 34% | 0.336 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 139.2 | 174.2 | -45.6 | 0 | 0 | 0 | 0 | 111.9 | R92 F94 G100 | R92-S102 VanDerWaalsContact CB-CB 3.41Å; R92-S102 WeakPolarHBondContact CD-O 3.46Å; F94-S102 CarbonylContact O-C 3.54Å; F94-S102 VanDerWaalsContact O-CA 3.3Å; F94-S102 WeakPolarHBondContact O-CA 3.35Å; G100-S102 PolarHBondContact O-N 3.4Å |
| 103 | V | 81.1 | Confident | 81.7 | Confident | 30 Ų | 30 | 76.6 Ų | 76.6 | 18% | 0.182 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 159.5 | 178.7 | -62.2 | 0 | 0 | 0 | 0 | 109.9 | R92 Q93 F94 L105 D108 L109 | R92-V103 CarbonylContact C-O 3.5Å; Q93-V103 PolarHBondContact N-O 3.43Å; F94-V103 HydrophobicContact CB-CG2 4.01Å; F94-V103 PolarHBondContact N-O 2.99Å; F94-V103 VanDerWaalsContact N-O 3.09Å; F94-V103 WeakPolarHBondContact O-CG2 3.25Å; F94-V103 PolarHBondContact O-N 2.79Å; V103-L105 WeakPolarHBondContact CG2-O 3.41Å; V103-D108 HydrophobicContact CB-CB 4.21Å; V103-D108 HydrophobicContact CG2-CB 4.24Å; V103-L109 HydrophobicContact CG2-CB 3.56Å; V103-L109 HydrophobicContact CG2-CD1 4.32Å; V103-L109 HydrophobicContact CG2-CG 4.47Å |
| 104 | R | 80.9 | Confident | 82.4 | Confident | 94 Ų | 94 | 72.4 Ų | 72.4 | 36% | 0.355 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -81.2 | -23 | -174.8 | -55.4 | 179.8 | -168.3 | 139.5 | -0.7 | 112.7 | M86 R92 | M86-R104 HydrophobicContact CE-CB 4.35Å; R92-R104 HydrophobicContact CG-CG 4.38Å |
| 105 | L | 81.6 | Confident | 82.6 | Confident | 43 Ų | 43 | 75.3 Ų | 75.3 | 23% | 0.225 | 40% | 0.4 | C | S | . | . | trans | -128.2 | 141.1 | -175.2 | -60.6 | 173.1 | 0 | 0 | 0 | 112.4 | Q83 M86 V103 Q107 D108 L109 | Q83-L105 VanDerWaalsContact CD-CD2 3.46Å; Q83-L105 HydrophobicContact CG-CD2 3.8Å; M86-L105 HydrophobicContact CE-CD2 4.44Å; V103-L105 WeakPolarHBondContact CG2-O 3.41Å; L105-Q107 VanDerWaalsContact C-N 3.3Å; L105-Q107 PolarHBondContact O-N 2.93Å; L105-D108 HydrophobicContact CB-CB 4.25Å; L105-D108 WeakPolarHBondContact O-CB 3.23Å; L105-D108 PolarHBondContact O-N 2.94Å; L105-D108 VanDerWaalsContact O-N 3.1Å; L105-L109 PolarHBondContact O-N 3.17Å; L105-L109 VanDerWaalsContact O-N 3.1Å | ||
| 106 | K | 81.9 | Confident | 82.7 | Confident | 146 Ų | 146 | 75.5 Ų | 75.5 | 64% | 0.635 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -56.2 | -42.3 | 173.3 | -170.5 | 175.2 | -179.9 | 178 | 0 | 112.5 | F94 D108 L109 T110 | F94-K106 HydrophobicContact CD1-CB 4.15Å; F94-K106 HydrophobicContact CE1-CB 3.94Å; F94-K106 HydrophobicContact CE1-CG 4.4Å; F94-K106 HydrophobicContact CE2-CB 4.31Å; F94-K106 HydrophobicContact CG-CB 4.44Å; F94-K106 HydrophobicContact CZ-CB 4.03Å; K106-D108 VanDerWaalsContact C-N 3.3Å; K106-D108 PolarHBondContact O-N 3.44Å; K106-L109 WeakPolarHBondContact O-CA 3.29Å; K106-L109 WeakPolarHBondContact O-CB 3.48Å; K106-L109 PolarHBondContact O-N 3.07Å; K106-L109 VanDerWaalsContact O-N 3.09Å; K106-T110 PolarHBondContact O-N 2.96Å; K106-T110 PolarHBondContact O-OG1 3.31Å; K106-T110 VanDerWaalsContact O-OG1 3.11Å |
| 107 | Q | 83.2 | Confident | 82.7 | Confident | 159 Ų | 159 | 79.1 Ų | 79.1 | 74% | 0.743 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -62.6 | -35.7 | 177.8 | -64.7 | -179.6 | -1.2 | 0 | 0 | 112.8 | L105 L109 R111 | L105-Q107 VanDerWaalsContact C-N 3.3Å; L105-Q107 PolarHBondContact O-N 2.93Å; Q107-L109 VanDerWaalsContact C-N 3.32Å; Q107-R111 WeakPolarHBondContact O-CB 3.39Å; Q107-R111 PolarHBondContact O-N 2.77Å |
| 108 | D | 83.9 | Confident | 83 | Confident | 43 Ų | 43 | 74.4 Ų | 74.4 | 23% | 0.23 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -69.6 | -34.3 | 175.6 | -69.3 | -31.2 | 0 | 0 | 0 | 111 | V103 L105 K106 R111 H112 | V103-D108 HydrophobicContact CB-CB 4.21Å; V103-D108 HydrophobicContact CG2-CB 4.24Å; L105-D108 HydrophobicContact CB-CB 4.25Å; L105-D108 WeakPolarHBondContact O-CB 3.23Å; L105-D108 PolarHBondContact O-N 2.94Å; L105-D108 VanDerWaalsContact O-N 3.1Å; K106-D108 VanDerWaalsContact C-N 3.3Å; K106-D108 PolarHBondContact O-N 3.44Å; D108-R111 IonicContact OD1-CZ 3.13Å; D108-R111 IonicContact OD1-NH1 3.31Å; D108-R111 PolarHBondContact OD1-NH1 3.37Å; D108-R111 IonicContact OD1-NH2 2.63Å; D108-R111 PolarHBondContact OD1-NH2 2.85Å; D108-H112 WeakPolarHBondContact O-CB 3.45Å; D108-H112 PolarHBondContact O-N 3.11Å |
| 109 | L | 85.1 | Confident | 83.4 | Confident | 28 Ų | 28 | 75.1 Ų | 75.1 | 15% | 0.147 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66.5 | -49.8 | 174 | -176.9 | 58.8 | 0 | 0 | 0 | 110 | F94 C96 V103 L105 K106 Q107 R111 H112 M113 | F94-L109 HydrophobicContact CB-CB 4.28Å; F94-L109 HydrophobicContact CB-CD2 3.87Å; C96-L109 HydrophobicContact CB-CD1 3.74Å; V103-L109 HydrophobicContact CG2-CB 3.56Å; V103-L109 HydrophobicContact CG2-CD1 4.32Å; V103-L109 HydrophobicContact CG2-CG 4.47Å; L105-L109 PolarHBondContact O-N 3.17Å; L105-L109 VanDerWaalsContact O-N 3.1Å; K106-L109 WeakPolarHBondContact O-CA 3.29Å; K106-L109 WeakPolarHBondContact O-CB 3.48Å; K106-L109 PolarHBondContact O-N 3.07Å; K106-L109 VanDerWaalsContact O-N 3.09Å; Q107-L109 VanDerWaalsContact C-N 3.32Å; L109-R111 VanDerWaalsContact C-N 3.27Å; L109-R111 PolarHBondContact O-N 3.06Å; L109-H112 CarbonylContact O-C 3.55Å; L109-H112 WeakPolarHBondContact O-CA 3.35Å; L109-H112 WeakPolarHBondContact O-CB 3.46Å; L109-H112 PolarHBondContact O-N 3.28Å; L109-M113 HydrophobicContact CD1-SD 4.29Å; L109-M113 WeakPolarHBondContact O-CG 3.42Å; L109-M113 PolarHBondContact O-N 2.92Å |
| 110 | T | 84.5 | Confident | 83.8 | Confident | 79 Ų | 79 | 78.6 Ų | 78.6 | 49% | 0.485 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -55.5 | -43.1 | 175.8 | -53.5 | 0 | 0 | 0 | 0 | 111.7 | K106 M113 | K106-T110 PolarHBondContact O-N 2.96Å; K106-T110 PolarHBondContact O-OG1 3.31Å; K106-T110 VanDerWaalsContact O-OG1 3.11Å; T110-M113 PolarHBondContact O-N 3.43Å |
| 111 | R | 85.9 | Confident | 84.3 | Confident | 111 Ų | 111 | 79.4 Ų | 79.4 | 42% | 0.419 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66 | -38.1 | 175.3 | -176.1 | 176.4 | 71.4 | -153.9 | -1.6 | 112.5 | Q107 D108 L109 R114 L133 | Q107-R111 WeakPolarHBondContact O-CB 3.39Å; Q107-R111 PolarHBondContact O-N 2.77Å; D108-R111 IonicContact OD1-CZ 3.13Å; D108-R111 IonicContact OD1-NH1 3.31Å; D108-R111 PolarHBondContact OD1-NH1 3.37Å; D108-R111 IonicContact OD1-NH2 2.63Å; D108-R111 PolarHBondContact OD1-NH2 2.85Å; L109-R111 VanDerWaalsContact C-N 3.27Å; L109-R111 PolarHBondContact O-N 3.06Å; R111-R114 WeakPolarHBondContact O-CB 3.2Å; R111-R114 PolarHBondContact O-N 3.03Å; R111-L133 HydrophobicContact CG-CD2 3.4Å |
| 112 | H | 85.9 | Confident | 84.8 | Confident | 25 Ų | 25 | 76.2 Ų | 76.2 | 12% | 0.116 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.9 | -38.5 | 176 | 169.9 | 70.1 | 0 | 0 | 0 | 111.8 | C96 C99 D108 L109 R114 I115 H116 | C96-H112 PolarHBondContact SG-NE2 3.47Å; C96-H112 VanDerWaalsContact SG-NE2 3.43Å; C99-H112 PolarHBondContact SG-NE2 3.43Å; D108-H112 WeakPolarHBondContact O-CB 3.45Å; D108-H112 PolarHBondContact O-N 3.11Å; L109-H112 CarbonylContact O-C 3.55Å; L109-H112 WeakPolarHBondContact O-CA 3.35Å; L109-H112 WeakPolarHBondContact O-CB 3.46Å; L109-H112 PolarHBondContact O-N 3.28Å; H112-R114 PolarHBondContact O-N 3.25Å; H112-R114 VanDerWaalsContact O-N 3.13Å; H112-I115 VanDerWaalsContact O-CB 3.29Å; H112-I115 WeakPolarHBondContact O-CB 3.48Å; H112-I115 WeakPolarHBondContact O-CG1 3.38Å; H112-I115 PolarHBondContact O-N 3.08Å; H112-H116 AromaticContact CE1-NE2 3.77Å; H112-H116 AromaticContact NE2-CD2 3.95Å; H112-H116 AromaticContact NE2-NE2 3.2Å; H112-H116 PolarHBondContact NE2-NE2 3.38Å |
| 113 | M | 84 | Confident | 85.2 | Confident | 56 Ų | 56 | 77.3 Ų | 77.3 | 28% | 0.276 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -58.4 | -27 | 178.6 | -67.7 | -49.8 | -67.6 | 0 | 0 | 113.2 | C96 L109 T110 I115 H116 T117 | C96-M113 HydrophobicContact CB-SD 4.38Å; L109-M113 HydrophobicContact CD1-SD 4.29Å; L109-M113 WeakPolarHBondContact O-CG 3.42Å; L109-M113 PolarHBondContact O-N 2.92Å; T110-M113 PolarHBondContact O-N 3.43Å; M113-I115 PolarHBondContact O-N 2.88Å; M113-I115 VanDerWaalsContact O-N 3.09Å; M113-H116 PolarHBondContact O-N 2.78Å; M113-T117 PolarHBondContact O-N 2.77Å; M113-T117 PolarHBondContact O-OG1 2.84Å |
| 114 | R | 88.4 | Confident | 85.7 | Confident | 59 Ų | 59 | 76 Ų | 76 | 22% | 0.223 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -59.7 | -19.3 | 173.6 | -59.8 | -177.6 | -174 | 163.6 | 2.9 | 114.3 | R111 H112 H116 T117 G118 E119 S132 | R111-R114 WeakPolarHBondContact O-CB 3.2Å; R111-R114 PolarHBondContact O-N 3.03Å; H112-R114 PolarHBondContact O-N 3.25Å; H112-R114 VanDerWaalsContact O-N 3.13Å; R114-H116 VanDerWaalsContact C-N 3.34Å; R114-T117 WeakPolarHBondContact CA-OG1 3.48Å; R114-G118 WeakPolarHBondContact O-CA 3.43Å; R114-G118 PolarHBondContact O-N 2.79Å; R114-G118 VanDerWaalsContact O-N 3.14Å; R114-E119 HydrophobicContact CB-CB 4.37Å; R114-E119 HydrophobicContact CG-CB 4.17Å; R114-S132 PolarHBondContact NH1-O 2.9Å |
| 115 | I | 83.7 | Confident | 86.1 | Confident | 120 Ų | 120 | 78.5 Ų | 78.5 | 62% | 0.615 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -69.9 | -37.4 | 173.4 | -60.2 | 175.1 | 0 | 0 | 0 | 110.2 | H112 M113 | H112-I115 VanDerWaalsContact O-CB 3.29Å; H112-I115 WeakPolarHBondContact O-CB 3.48Å; H112-I115 WeakPolarHBondContact O-CG1 3.38Å; H112-I115 PolarHBondContact O-N 3.08Å; M113-I115 PolarHBondContact O-N 2.88Å; M113-I115 VanDerWaalsContact O-N 3.09Å |
| 116 | H | 84.6 | Confident | 86.3 | Confident | 73 Ų | 73 | 81.5 Ų | 81.5 | 34% | 0.338 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -85.2 | -42.3 | -178.7 | -56.1 | -55 | 0 | 0 | 0 | 111.7 | C96 T98 C99 H112 M113 R114 G118 | C96-H116 PolarHBondContact SG-NE2 2.84Å; C96-H116 VanDerWaalsContact SG-NE2 3.38Å; T98-H116 HydrophobicContact CG2-CB 4.34Å; C99-H116 PolarHBondContact SG-NE2 3.06Å; C99-H116 VanDerWaalsContact SG-NE2 3.39Å; H112-H116 AromaticContact CE1-NE2 3.77Å; H112-H116 AromaticContact NE2-CD2 3.95Å; H112-H116 AromaticContact NE2-NE2 3.2Å; H112-H116 PolarHBondContact NE2-NE2 3.38Å; M113-H116 PolarHBondContact O-N 2.78Å; R114-H116 VanDerWaalsContact C-N 3.34Å; H116-G118 VanDerWaalsContact C-N 3.27Å; H116-G118 PolarHBondContact O-N 3.14Å |
| 117 | T | 84.7 | Confident | 86.6 | Confident | 78 Ų | 78 | 77.1 Ų | 77.1 | 48% | 0.479 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -78.1 | -12.9 | -179.9 | 63.9 | 0 | 0 | 0 | 0 | 113.2 | M113 R114 E119 | M113-T117 PolarHBondContact O-N 2.77Å; M113-T117 PolarHBondContact O-OG1 2.84Å; R114-T117 WeakPolarHBondContact CA-OG1 3.48Å; T117-E119 PolarHBondContact O-N 3.2Å; T117-E119 VanDerWaalsContact O-N 3.17Å; T117-E119 WeakPolarHBondContact OG1-CG 3.28Å |
| 118 | G | 83.9 | Confident | 86.7 | Confident | 44 Ų | 44 | 72.2 Ų | 72.2 | 45% | 0.454 | 41% | 0.407 | S | S | . | . | trans | 70.8 | 3.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | R114 H116 K120 | R114-G118 WeakPolarHBondContact O-CA 3.43Å; R114-G118 PolarHBondContact O-N 2.79Å; R114-G118 VanDerWaalsContact O-N 3.14Å; H116-G118 VanDerWaalsContact C-N 3.27Å; H116-G118 PolarHBondContact O-N 3.14Å; G118-K120 WeakPolarHBondContact O-CG 3.34Å; G118-K120 PolarHBondContact O-N 2.77Å | ||
| 119 | E | 86.8 | Confident | 86.8 | Confident | 106 Ų | 106 | 76.2 Ų | 76.2 | 50% | 0.495 | 42% | 0.422 | S | S | . | . | trans | -57.3 | 125.2 | -179.3 | -78.2 | 173.8 | -153.4 | 0 | 0 | 112.1 | R114 T117 | R114-E119 HydrophobicContact CB-CB 4.37Å; R114-E119 HydrophobicContact CG-CB 4.17Å; T117-E119 PolarHBondContact O-N 3.2Å; T117-E119 VanDerWaalsContact O-N 3.17Å; T117-E119 WeakPolarHBondContact OG1-CG 3.28Å | ||
| 120 | K | 88.9 | Confident | 87.1 | Confident | 127 Ų | 127 | 77.2 Ų | 77.2 | 55% | 0.552 | 43% | 0.432 | S | S | * | . | trans | -127.8 | 77.5 | 179 | -71.9 | 165 | 179.4 | -179.6 | 0 | 110.1 | G118 F122 S130 F131 | G118-K120 WeakPolarHBondContact O-CG 3.34Å; G118-K120 PolarHBondContact O-N 2.77Å; K120-F122 PolarHBondContact O-N 2.81Å; K120-F122 VanDerWaalsContact O-N 3.09Å; K120-S130 VanDerWaalsContact CB-CB 3.5Å; K120-S130 WeakPolarHBondContact CD-O 3.37Å; K120-F131 CarbonylContact C-O 3.24Å; K120-F131 VanDerWaalsContact C-O 3.29Å; K120-F131 WeakPolarHBondContact CA-O 3.23Å | ||
| 121 | P | 89.4 | Confident | 87.4 | Confident | 72 Ų | 72 | 75.4 Ų | 75.4 | 47% | 0.468 | 42% | 0.417 | S | S | . | . | trans | -67.7 | -12.4 | -171 | -21.9 | 34.7 | 0 | 0 | 0 | 114.9 | ||||
| 122 | F | 91.9 | Very high | 87.6 | Confident | 60 Ų | 60 | 71.9 Ų | 71.9 | 26% | 0.263 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 101.8 | -173.4 | -55.4 | -76.4 | 0 | 0 | 0 | 110.2 | K120 S130 F131 K134 L137 | K120-F122 PolarHBondContact O-N 2.81Å; K120-F122 VanDerWaalsContact O-N 3.09Å; F122-S130 CarbonylContact O-C 3.41Å; F122-S130 WeakPolarHBondContact O-CA 3.35Å; F122-F131 WeakPolarHBondContact CD2-O 3.46Å; F122-F131 PolarHBondContact N-O 3.22Å; F122-F131 VanDerWaalsContact N-O 3.1Å; F122-F131 PolarHBondContact O-N 3.28Å; F122-K134 HydrophobicContact CD1-CB 3.95Å; F122-K134 HydrophobicContact CD1-CG 4.28Å; F122-K134 HydrophobicContact CD2-CB 4.45Å; F122-K134 VanDerWaalsContact CD2-N 3.25Å; F122-K134 HydrophobicContact CE1-CB 3.76Å; F122-K134 HydrophobicContact CE1-CD 4.49Å; F122-K134 HydrophobicContact CE1-CG 4.26Å; F122-K134 HydrophobicContact CE2-CB 4.28Å; F122-K134 VanDerWaalsContact CE2-N 3.34Å; F122-K134 HydrophobicContact CG-CB 4.28Å; F122-K134 HydrophobicContact CZ-CB 3.93Å; F122-L137 HydrophobicContact CB-CB 4.07Å; F122-L137 HydrophobicContact CB-CD2 3.81Å |
| 123 | S | 89.2 | Confident | 87.7 | Confident | 70 Ų | 70 | 71.9 Ų | 71.9 | 49% | 0.49 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 145 | 179.6 | 52.1 | 0 | 0 | 0 | 0 | 112.7 | L137 | S123-L137 WeakPolarHBondContact O-CD2 3.42Å |
| 124 | C | 91.6 | Very high | 87.9 | Confident | 2 Ų | 2 | 76 Ų | 76 | 1% | 0.014 | 43% | 0.426 | C | S | . | . | trans | -86 | 119.7 | 170.5 | 177.9 | 0 | 0 | 0 | 0 | 109.5 | T126 C127 G128 K129 F131 L137 H140 H144 | C124-T126 VanDerWaalsContact C-N 3.27Å; C124-T126 PolarHBondContact O-N 3.32Å; C124-C127 VanDerWaalsContact SG-SG 3.69Å; C124-G128 WeakPolarHBondContact O-CA 3.37Å; C124-G128 PolarHBondContact O-N 3.35Å; C124-K129 WeakPolarHBondContact CB-O 3.34Å; C124-K129 PolarHBondContact N-O 3.21Å; C124-F131 HydrophobicContact CB-CE2 4.38Å; C124-L137 HydrophobicContact CB-CD1 3.63Å; C124-H140 VanDerWaalsContact SG-CD2 3.59Å; C124-H140 PolarHBondContact SG-NE2 3.29Å; C124-H144 PolarHBondContact SG-NE2 2.86Å; C124-H144 VanDerWaalsContact SG-NE2 3.45Å | ||
| 125 | V | 88.8 | Confident | 87.8 | Confident | 148 Ų | 148 | 81.5 Ų | 81.5 | 90% | 0.897 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -32.4 | -179.3 | -155.9 | 0 | 0 | 0 | 0 | 111.7 | ||
| 126 | T | 86.1 | Confident | 88.1 | Confident | 105 Ų | 105 | 77.5 Ų | 77.5 | 64% | 0.644 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -32.9 | -176.9 | -42.7 | 0 | 0 | 0 | 0 | 113.9 | C124 H144 | C124-T126 VanDerWaalsContact C-N 3.27Å; C124-T126 PolarHBondContact O-N 3.32Å; T126-H144 HydrophobicContact CG2-CB 4.33Å |
| 127 | C | 87.3 | Confident | 88.4 | Confident | 54 Ų | 54 | 75 Ų | 75 | 37% | 0.365 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136.9 | 8.5 | -174.2 | 74.1 | 0 | 0 | 0 | 0 | 114.9 | C124 K129 H140 | C124-C127 VanDerWaalsContact SG-SG 3.69Å; C127-K129 PolarHBondContact O-N 3.13Å; C127-H140 PolarHBondContact SG-NE2 3.5Å |
| 128 | G | 85.8 | Confident | 88.5 | Confident | 56 Ų | 56 | 75.1 Ų | 75.1 | 58% | 0.577 | 42% | 0.417 | S | S | * | . | trans | 69.5 | -2.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | C124 S130 | C124-G128 WeakPolarHBondContact O-CA 3.37Å; C124-G128 PolarHBondContact O-N 3.35Å; G128-S130 PolarHBondContact O-N 3.4Å | ||
| 129 | K | 87.3 | Confident | 88.7 | Confident | 127 Ų | 127 | 77.6 Ų | 77.6 | 55% | 0.552 | 41% | 0.413 | S | S | * | . | trans | -69.5 | 130.1 | -177.8 | -71.2 | -178.5 | -176.7 | 177.2 | 0 | 111.7 | C124 C127 F131 | C124-K129 WeakPolarHBondContact CB-O 3.34Å; C124-K129 PolarHBondContact N-O 3.21Å; C127-K129 PolarHBondContact O-N 3.13Å; K129-F131 HydrophobicContact CB-CE2 3.99Å; K129-F131 HydrophobicContact CB-CZ 4Å; K129-F131 VanDerWaalsContact O-CE2 3.25Å; K129-F131 WeakPolarHBondContact O-CE2 3.23Å | ||
| 130 | S | 90.9 | Very high | 88.8 | Confident | 50 Ų | 50 | 73.4 Ų | 73.4 | 35% | 0.35 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 145.9 | -179.7 | -54.2 | 0 | 0 | 0 | 0 | 113.1 | K120 F122 G128 | K120-S130 VanDerWaalsContact CB-CB 3.5Å; K120-S130 WeakPolarHBondContact CD-O 3.37Å; F122-S130 CarbonylContact O-C 3.41Å; F122-S130 WeakPolarHBondContact O-CA 3.35Å; G128-S130 PolarHBondContact O-N 3.4Å |
| 131 | F | 90.4 | Very high | 88.8 | Confident | 41 Ų | 41 | 70.5 Ų | 70.5 | 18% | 0.18 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 145.7 | -175.4 | -56.5 | -87 | 0 | 0 | 0 | 110.8 | K120 F122 C124 K129 L133 N136 L137 H140 | K120-F131 CarbonylContact C-O 3.24Å; K120-F131 VanDerWaalsContact C-O 3.29Å; K120-F131 WeakPolarHBondContact CA-O 3.23Å; F122-F131 WeakPolarHBondContact CD2-O 3.46Å; F122-F131 PolarHBondContact N-O 3.22Å; F122-F131 VanDerWaalsContact N-O 3.1Å; F122-F131 PolarHBondContact O-N 3.28Å; C124-F131 HydrophobicContact CB-CE2 4.38Å; K129-F131 HydrophobicContact CB-CE2 3.99Å; K129-F131 HydrophobicContact CB-CZ 4Å; K129-F131 VanDerWaalsContact O-CE2 3.25Å; K129-F131 WeakPolarHBondContact O-CE2 3.23Å; F131-L133 VanDerWaalsContact C-N 3.27Å; F131-L133 PolarHBondContact O-N 2.87Å; F131-N136 HydrophobicContact CB-CB 4.09Å; F131-N136 HydrophobicContact CD1-CB 3.95Å; F131-N136 HydrophobicContact CG-CB 4.23Å; F131-L137 HydrophobicContact CB-CB 4.37Å; F131-L137 HydrophobicContact CD2-CB 3.79Å; F131-L137 HydrophobicContact CD2-CD1 3.79Å; F131-L137 HydrophobicContact CD2-CG 4.4Å; F131-L137 HydrophobicContact CE2-CD1 3.89Å; F131-L137 HydrophobicContact CG-CB 4.29Å; F131-H140 HydrophobicContact CE1-CB 4Å; F131-H140 HydrophobicContact CE2-CB 3.76Å; F131-H140 AromaticContact CE2-CD2 3.55Å; F131-H140 AromaticContact CE2-CG 3.6Å; F131-H140 HydrophobicContact CZ-CB 3.39Å; F131-H140 AromaticContact CZ-CD2 3.62Å; F131-H140 AromaticContact CZ-CG 3.21Å; F131-H140 AromaticContact CZ-ND1 3.64Å |
| 132 | S | 89.3 | Confident | 88.7 | Confident | 36 Ų | 36 | 68.6 Ų | 68.6 | 25% | 0.252 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -73.9 | -18.7 | 176.8 | 55.3 | 0 | 0 | 0 | 0 | 113.3 | R114 | R114-S132 PolarHBondContact NH1-O 2.9Š|
| 133 | L | 88.2 | Confident | 88.4 | Confident | 25 Ų | 25 | 71.7 Ų | 71.7 | 13% | 0.131 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -131.5 | 135.7 | -176.8 | -54.5 | -178.4 | 0 | 0 | 0 | 112.2 | R111 F131 R135 N136 L137 | R111-L133 HydrophobicContact CG-CD2 3.4Å; F131-L133 VanDerWaalsContact C-N 3.27Å; F131-L133 PolarHBondContact O-N 2.87Å; L133-R135 VanDerWaalsContact C-N 3.33Å; L133-R135 HydrophobicContact CB-CG 4.09Å; L133-R135 HydrophobicContact CD1-CG 4.46Å; L133-R135 PolarHBondContact O-N 2.89Å; L133-N136 HydrophobicContact CB-CB 4.38Å; L133-N136 WeakPolarHBondContact O-CB 3.4Å; L133-N136 PolarHBondContact O-N 3.16Å; L133-L137 PolarHBondContact O-N 3.37Å |
| 134 | K | 88.9 | Confident | 88.2 | Confident | 142 Ų | 142 | 72 Ų | 72 | 62% | 0.617 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -53.8 | -45.4 | 175.7 | -170.1 | 175.2 | -179.3 | 177.6 | 0 | 112.7 | F122 N136 L137 T138 | F122-K134 HydrophobicContact CD1-CB 3.95Å; F122-K134 HydrophobicContact CD1-CG 4.28Å; F122-K134 HydrophobicContact CD2-CB 4.45Å; F122-K134 VanDerWaalsContact CD2-N 3.25Å; F122-K134 HydrophobicContact CE1-CB 3.76Å; F122-K134 HydrophobicContact CE1-CD 4.49Å; F122-K134 HydrophobicContact CE1-CG 4.26Å; F122-K134 HydrophobicContact CE2-CB 4.28Å; F122-K134 VanDerWaalsContact CE2-N 3.34Å; F122-K134 HydrophobicContact CG-CB 4.28Å; F122-K134 HydrophobicContact CZ-CB 3.93Å; K134-N136 PolarHBondContact O-N 2.77Å; K134-N136 VanDerWaalsContact O-N 3.16Å; K134-L137 WeakPolarHBondContact O-CB 3.27Å; K134-L137 PolarHBondContact O-N 3.02Å; K134-T138 PolarHBondContact O-N 3.34Å; K134-T138 PolarHBondContact O-OG1 3.3Å |
| 135 | R | 86.8 | Confident | 87.9 | Confident | 175 Ų | 175 | 75.4 Ų | 75.4 | 66% | 0.66 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -57 | -31.7 | 177.2 | 70 | 179.5 | 179.9 | -176.4 | -3.1 | 113.8 | L133 R139 | L133-R135 VanDerWaalsContact C-N 3.33Å; L133-R135 HydrophobicContact CB-CG 4.09Å; L133-R135 HydrophobicContact CD1-CG 4.46Å; L133-R135 PolarHBondContact O-N 2.89Å; R135-R139 WeakPolarHBondContact O-CB 3.46Å; R135-R139 PolarHBondContact O-N 3.29Å |
| 136 | N | 89.3 | Confident | 87.6 | Confident | 36 Ų | 36 | 70.6 Ų | 70.6 | 19% | 0.193 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -75.3 | -38 | 179 | -69.2 | -13.9 | 0 | 0 | 0 | 110.5 | F131 L133 K134 R139 H140 | F131-N136 HydrophobicContact CB-CB 4.09Å; F131-N136 HydrophobicContact CD1-CB 3.95Å; F131-N136 HydrophobicContact CG-CB 4.23Å; L133-N136 HydrophobicContact CB-CB 4.38Å; L133-N136 WeakPolarHBondContact O-CB 3.4Å; L133-N136 PolarHBondContact O-N 3.16Å; K134-N136 PolarHBondContact O-N 2.77Å; K134-N136 VanDerWaalsContact O-N 3.16Å; N136-R139 PolarHBondContact O-N 3.11Å; N136-R139 PolarHBondContact OD1-NH2 3.09Å; N136-H140 VanDerWaalsContact O-CB 3.32Å; N136-H140 WeakPolarHBondContact O-CB 3.46Å; N136-H140 PolarHBondContact O-N 3.04Å |
| 137 | L | 90.3 | Very high | 87.6 | Confident | 22 Ų | 22 | 71.1 Ų | 71.1 | 12% | 0.115 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.2 | -50.2 | 171.9 | 172.6 | 62.3 | 0 | 0 | 0 | 111.1 | F122 S123 C124 F131 L133 K134 R139 H140 I141 | F122-L137 HydrophobicContact CB-CB 4.07Å; F122-L137 HydrophobicContact CB-CD2 3.81Å; S123-L137 WeakPolarHBondContact O-CD2 3.42Å; C124-L137 HydrophobicContact CB-CD1 3.63Å; F131-L137 HydrophobicContact CB-CB 4.37Å; F131-L137 HydrophobicContact CD2-CB 3.79Å; F131-L137 HydrophobicContact CD2-CD1 3.79Å; F131-L137 HydrophobicContact CD2-CG 4.4Å; F131-L137 HydrophobicContact CE2-CD1 3.89Å; F131-L137 HydrophobicContact CG-CB 4.29Å; L133-L137 PolarHBondContact O-N 3.37Å; K134-L137 WeakPolarHBondContact O-CB 3.27Å; K134-L137 PolarHBondContact O-N 3.02Å; L137-R139 PolarHBondContact O-N 3.36Å; L137-H140 CarbonylContact O-C 3.2Å; L137-H140 WeakPolarHBondContact O-CA 3.47Å; L137-H140 WeakPolarHBondContact O-CB 3.43Å; L137-H140 PolarHBondContact O-N 3.46Å; L137-I141 HydrophobicContact CD1-CD1 4.04Å; L137-I141 HydrophobicContact CD1-CG1 4.09Å; L137-I141 HydrophobicContact CG-CD1 3.96Å; L137-I141 HydrophobicContact CG-CG1 4.45Å; L137-I141 WeakPolarHBondContact O-CG1 3.38Å; L137-I141 PolarHBondContact O-N 3.3Å |
| 138 | T | 88.1 | Confident | 87.6 | Confident | 80 Ų | 80 | 74.6 Ų | 74.6 | 49% | 0.491 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -55 | -43 | 176.4 | -52.5 | 0 | 0 | 0 | 0 | 111.1 | K134 H140 I141 | K134-T138 PolarHBondContact O-N 3.34Å; K134-T138 PolarHBondContact O-OG1 3.3Å; T138-H140 VanDerWaalsContact C-N 3.34Å; T138-H140 PolarHBondContact O-N 2.91Å; T138-I141 PolarHBondContact O-N 3.46Å |
| 139 | R | 87.7 | Confident | 87.7 | Confident | 96 Ų | 96 | 75.8 Ų | 75.8 | 36% | 0.362 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.3 | -38.7 | 174.4 | 176.6 | 177 | 58.6 | -164.1 | -3.2 | 113.6 | R135 N136 L137 I141 M142 Q161 | R135-R139 WeakPolarHBondContact O-CB 3.46Å; R135-R139 PolarHBondContact O-N 3.29Å; N136-R139 PolarHBondContact O-N 3.11Å; N136-R139 PolarHBondContact OD1-NH2 3.09Å; L137-R139 PolarHBondContact O-N 3.36Å; R139-I141 VanDerWaalsContact C-N 3.34Å; R139-M142 VanDerWaalsContact CA-CE 3.47Å; R139-M142 HydrophobicContact CB-CE 3.96Å; R139-M142 HydrophobicContact CG-CE 3.87Å; R139-M142 WeakPolarHBondContact O-CB 3.25Å; R139-M142 PolarHBondContact O-N 2.81Å; R139-Q161 HydrophobicContact CG-CG 4.47Å |
| 140 | H | 88.9 | Confident | 87.8 | Confident | 17 Ų | 17 | 73.2 Ų | 73.2 | 8% | 0.079 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -67 | -37.3 | 178.2 | 169 | 72.6 | 0 | 0 | 0 | 111.9 | C124 C127 F131 N136 L137 T138 M142 I143 H144 | C124-H140 VanDerWaalsContact SG-CD2 3.59Å; C124-H140 PolarHBondContact SG-NE2 3.29Å; C127-H140 PolarHBondContact SG-NE2 3.5Å; F131-H140 HydrophobicContact CE1-CB 4Å; F131-H140 HydrophobicContact CE2-CB 3.76Å; F131-H140 AromaticContact CE2-CD2 3.55Å; F131-H140 AromaticContact CE2-CG 3.6Å; F131-H140 HydrophobicContact CZ-CB 3.39Å; F131-H140 AromaticContact CZ-CD2 3.62Å; F131-H140 AromaticContact CZ-CG 3.21Å; F131-H140 AromaticContact CZ-ND1 3.64Å; N136-H140 VanDerWaalsContact O-CB 3.32Å; N136-H140 WeakPolarHBondContact O-CB 3.46Å; N136-H140 PolarHBondContact O-N 3.04Å; L137-H140 CarbonylContact O-C 3.2Å; L137-H140 WeakPolarHBondContact O-CA 3.47Å; L137-H140 WeakPolarHBondContact O-CB 3.43Å; L137-H140 PolarHBondContact O-N 3.46Å; T138-H140 VanDerWaalsContact C-N 3.34Å; T138-H140 PolarHBondContact O-N 2.91Å; H140-M142 PolarHBondContact O-N 3.1Å; H140-I143 VanDerWaalsContact O-CB 3.22Å; H140-I143 WeakPolarHBondContact O-CB 3.49Å; H140-I143 WeakPolarHBondContact O-CG1 3.36Å; H140-I143 PolarHBondContact O-N 3.32Å; H140-H144 AromaticContact CD2-NE2 3.85Å; H140-H144 AromaticContact CE1-NE2 3.57Å; H140-H144 AromaticContact NE2-CD2 3.89Å; H140-H144 AromaticContact NE2-CE1 3.95Å; H140-H144 AromaticContact NE2-NE2 3.02Å; H140-H144 PolarHBondContact NE2-NE2 3.34Å |
| 141 | I | 87.8 | Confident | 87.6 | Confident | 67 Ų | 67 | 74.3 Ų | 74.3 | 34% | 0.344 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.5 | -32.9 | 178.3 | -69.3 | 165.8 | 0 | 0 | 0 | 111.7 | L137 T138 R139 I143 H144 T145 | L137-I141 HydrophobicContact CD1-CD1 4.04Å; L137-I141 HydrophobicContact CD1-CG1 4.09Å; L137-I141 HydrophobicContact CG-CD1 3.96Å; L137-I141 HydrophobicContact CG-CG1 4.45Å; L137-I141 WeakPolarHBondContact O-CG1 3.38Å; L137-I141 PolarHBondContact O-N 3.3Å; T138-I141 PolarHBondContact O-N 3.46Å; R139-I141 VanDerWaalsContact C-N 3.34Å; I141-I143 PolarHBondContact O-N 3.32Å; I141-H144 PolarHBondContact O-N 2.88Å; I141-T145 HydrophobicContact CG2-CG2 3.97Å; I141-T145 PolarHBondContact O-N 3.06Å; I141-T145 VanDerWaalsContact O-N 3.08Å; I141-T145 PolarHBondContact O-OG1 2.9Å |
| 142 | M | 88.6 | Confident | 87.5 | Confident | 32 Ų | 32 | 72.8 Ų | 72.8 | 16% | 0.158 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -57.9 | -19 | 173.5 | -68.7 | -171.6 | -82.5 | 0 | 0 | 114.1 | R139 H140 H144 T145 G146 E147 P149 S160 | R139-M142 VanDerWaalsContact CA-CE 3.47Å; R139-M142 HydrophobicContact CB-CE 3.96Å; R139-M142 HydrophobicContact CG-CE 3.87Å; R139-M142 WeakPolarHBondContact O-CB 3.25Å; R139-M142 PolarHBondContact O-N 2.81Å; H140-M142 PolarHBondContact O-N 3.1Å; M142-H144 VanDerWaalsContact C-N 3.35Å; M142-T145 WeakPolarHBondContact CA-OG1 3.35Å; M142-G146 WeakPolarHBondContact O-CA 3.35Å; M142-G146 PolarHBondContact O-N 3.43Å; M142-G146 VanDerWaalsContact O-N 3.1Å; M142-E147 HydrophobicContact CG-CB 4.33Å; M142-P149 HydrophobicContact SD-CG 4.03Å; M142-S160 VanDerWaalsContact CE-O 3.25Å; M142-S160 WeakPolarHBondContact CE-O 3.37Å |
| 143 | I | 85.3 | Confident | 87.3 | Confident | 125 Ų | 125 | 77.8 Ų | 77.8 | 64% | 0.641 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -70.7 | -35.9 | 173.8 | -59 | 174.2 | 0 | 0 | 0 | 110.5 | H140 I141 | H140-I143 VanDerWaalsContact O-CB 3.22Å; H140-I143 WeakPolarHBondContact O-CB 3.49Å; H140-I143 WeakPolarHBondContact O-CG1 3.36Å; H140-I143 PolarHBondContact O-N 3.32Å; I141-I143 PolarHBondContact O-N 3.32Å |
| 144 | H | 84.6 | Confident | 87 | Confident | 76 Ų | 76 | 82.9 Ų | 82.9 | 35% | 0.352 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -83.7 | -40.1 | -178.7 | -56.2 | -55.3 | 0 | 0 | 0 | 111.8 | C124 T126 H140 I141 M142 G146 | C124-H144 PolarHBondContact SG-NE2 2.86Å; C124-H144 VanDerWaalsContact SG-NE2 3.45Å; T126-H144 HydrophobicContact CG2-CB 4.33Å; H140-H144 AromaticContact CD2-NE2 3.85Å; H140-H144 AromaticContact CE1-NE2 3.57Å; H140-H144 AromaticContact NE2-CD2 3.89Å; H140-H144 AromaticContact NE2-CE1 3.95Å; H140-H144 AromaticContact NE2-NE2 3.02Å; H140-H144 PolarHBondContact NE2-NE2 3.34Å; I141-H144 PolarHBondContact O-N 2.88Å; M142-H144 VanDerWaalsContact C-N 3.35Å; H144-G146 VanDerWaalsContact C-N 3.31Å |
| 145 | T | 85.8 | Confident | 86.8 | Confident | 73 Ų | 73 | 78 Ų | 78 | 45% | 0.448 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -79.5 | -16 | 179.5 | 62.2 | 0 | 0 | 0 | 0 | 112.9 | I141 M142 E147 | I141-T145 HydrophobicContact CG2-CG2 3.97Å; I141-T145 PolarHBondContact O-N 3.06Å; I141-T145 VanDerWaalsContact O-N 3.08Å; I141-T145 PolarHBondContact O-OG1 2.9Å; M142-T145 WeakPolarHBondContact CA-OG1 3.35Å; T145-E147 PolarHBondContact O-N 3.36Å; T145-E147 WeakPolarHBondContact OG1-CG 3.49Å; T145-E147 PolarHBondContact OG1-N 2.96Å |
| 146 | G | 83 | Confident | 86.5 | Confident | 47 Ų | 47 | 78.8 Ų | 78.8 | 49% | 0.485 | 42% | 0.417 | S | S | . | . | trans | 71.5 | 1 | -175 | 0 | 0 | 0 | 0 | 0 | 114.1 | M142 H144 K148 | M142-G146 WeakPolarHBondContact O-CA 3.35Å; M142-G146 PolarHBondContact O-N 3.43Å; M142-G146 VanDerWaalsContact O-N 3.1Å; H144-G146 VanDerWaalsContact C-N 3.31Å; G146-K148 PolarHBondContact O-N 3.28Å | ||
| 147 | E | 85.4 | Confident | 86.1 | Confident | 116 Ų | 116 | 80.9 Ų | 80.9 | 54% | 0.542 | 43% | 0.425 | S | S | . | . | trans | -59.7 | 128.3 | -179.1 | -74 | 177.8 | -173.5 | 0 | 0 | 111.7 | M142 T145 | M142-E147 HydrophobicContact CG-CB 4.33Å; T145-E147 PolarHBondContact O-N 3.36Å; T145-E147 WeakPolarHBondContact OG1-CG 3.49Å; T145-E147 PolarHBondContact OG1-N 2.96Å | ||
| 148 | K | 87.4 | Confident | 86.1 | Confident | 127 Ų | 127 | 81.9 Ų | 81.9 | 55% | 0.552 | 43% | 0.434 | S | S | * | . | trans | -131 | 80.3 | 179.1 | -73.5 | 165.1 | 171.2 | -176.7 | 0 | 109.2 | G146 F150 S158 F159 | G146-K148 PolarHBondContact O-N 3.28Å; K148-F150 PolarHBondContact O-N 2.87Å; K148-S158 VanDerWaalsContact CB-CB 3.48Å; K148-S158 WeakPolarHBondContact CD-O 3.49Å; K148-F159 CarbonylContact C-O 3.27Å; K148-F159 VanDerWaalsContact C-O 3.32Å; K148-F159 WeakPolarHBondContact CA-O 3.33Å | ||
| 149 | P | 87.9 | Confident | 86 | Confident | 82 Ų | 82 | 80.1 Ų | 80.1 | 53% | 0.532 | 42% | 0.419 | S | S | . | . | trans | -64.9 | -12.5 | -169.6 | -23.7 | 34.9 | 0 | 0 | 0 | 115.2 | M142 | M142-P149 HydrophobicContact SD-CG 4.03Š| ||
| 150 | F | 89.7 | Confident | 85.9 | Confident | 73 Ų | 73 | 77.4 Ų | 77.4 | 32% | 0.32 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 94.2 | -175.2 | -55.4 | -77.6 | 0 | 0 | 0 | 110.1 | K148 S158 F159 Q161 K162 L165 | K148-F150 PolarHBondContact O-N 2.87Å; F150-S158 CarbonylContact O-C 3.5Å; F150-S158 WeakPolarHBondContact O-CA 3.32Å; F150-F159 HydrophobicContact CB-CB 4.45Å; F150-F159 WeakPolarHBondContact CB-O 3.47Å; F150-F159 WeakPolarHBondContact CD2-O 3.34Å; F150-F159 PolarHBondContact N-O 3.13Å; F150-F159 VanDerWaalsContact N-O 3.07Å; F150-F159 PolarHBondContact O-N 2.87Å; F150-Q161 VanDerWaalsContact CD2-C 3.44Å; F150-K162 HydrophobicContact CD1-CB 3.84Å; F150-K162 HydrophobicContact CD1-CG 4.25Å; F150-K162 VanDerWaalsContact CD2-N 3.27Å; F150-K162 HydrophobicContact CE1-CB 3.7Å; F150-K162 HydrophobicContact CE1-CD 4.5Å; F150-K162 HydrophobicContact CE1-CG 4.26Å; F150-K162 HydrophobicContact CE2-CB 4.37Å; F150-K162 HydrophobicContact CG-CB 4.25Å; F150-K162 HydrophobicContact CZ-CB 3.96Å; F150-L165 HydrophobicContact CB-CB 4.11Å; F150-L165 HydrophobicContact CB-CD2 3.87Å |
| 151 | S | 87.1 | Confident | 85.8 | Confident | 72 Ų | 72 | 79.1 Ų | 79.1 | 50% | 0.503 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 146.3 | 176.2 | 50.3 | 0 | 0 | 0 | 0 | 112.2 | S158 L165 | S151-S158 WeakPolarHBondContact CB-OG 3.48Å; S151-L165 WeakPolarHBondContact O-CD2 3.45Å |
| 152 | C | 88.6 | Confident | 85.7 | Confident | 9 Ų | 9 | 82.7 Ų | 82.7 | 6% | 0.061 | 44% | 0.436 | C | S | . | . | trans | -80.4 | 136.7 | 167.8 | -178.7 | 0 | 0 | 0 | 0 | 109.4 | K154 C155 K157 L165 H168 M169 H172 | C152-K154 PolarHBondContact SG-N 3.09Å; C152-C155 CarbonylContact C-O 3.54Å; C152-C155 VanDerWaalsContact CB-O 3.3Å; C152-C155 WeakPolarHBondContact CB-O 3.45Å; C152-C155 VanDerWaalsContact SG-SG 3.62Å; C152-K157 VanDerWaalsContact CB-O 3.28Å; C152-K157 WeakPolarHBondContact CB-O 3.31Å; C152-K157 PolarHBondContact N-O 3.38Å; C152-L165 HydrophobicContact CB-CD1 3.75Å; C152-H168 PolarHBondContact SG-NE2 3.11Å; C152-H168 VanDerWaalsContact SG-NE2 3.35Å; C152-M169 HydrophobicContact CB-SD 4.38Å; C152-M169 PolarHBondContact SG-SD 3.32Å; C152-H172 PolarHBondContact SG-NE2 3.39Å; C152-H172 VanDerWaalsContact SG-NE2 3.42Å | ||
| 153 | V | 85 | Confident | 85.5 | Confident | 141 Ų | 141 | 87.6 Ų | 87.6 | 86% | 0.855 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -82.1 | -24.1 | 178.7 | -176.7 | 0 | 0 | 0 | 0 | 111.4 | ||
| 154 | K | 80.2 | Confident | 85.6 | Confident | 132 Ų | 132 | 84.4 Ų | 84.4 | 57% | 0.574 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -92 | -14.6 | -177.8 | -68.1 | -173.8 | 173.5 | -169.2 | 0 | 113.7 | C152 M169 H172 | C152-K154 PolarHBondContact SG-N 3.09Å; K154-M169 HydrophobicContact CD-CE 4.24Å; K154-M169 HydrophobicContact CG-CE 4.4Å; K154-H172 HydrophobicContact CB-CB 4.42Å; K154-H172 HydrophobicContact CD-CB 3.44Å; K154-H172 VanDerWaalsContact CD-CB 3.44Å |
| 155 | C | 84.5 | Confident | 85.7 | Confident | 39 Ų | 39 | 82 Ų | 82 | 26% | 0.264 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -152.8 | 161.1 | 171.9 | 69.9 | 0 | 0 | 0 | 0 | 110.1 | C152 K157 H168 H172 | C152-C155 CarbonylContact C-O 3.54Å; C152-C155 VanDerWaalsContact CB-O 3.3Å; C152-C155 WeakPolarHBondContact CB-O 3.45Å; C152-C155 VanDerWaalsContact SG-SG 3.62Å; C155-K157 PolarHBondContact O-N 3.31Å; C155-H168 VanDerWaalsContact SG-CE1 3.54Å; C155-H168 PolarHBondContact SG-NE2 2.81Å; C155-H172 PolarHBondContact SG-NE2 3.29Å; C155-H172 VanDerWaalsContact SG-NE2 3.41Å |
| 156 | E | 82.3 | Confident | 85.7 | Confident | 192 Ų | 192 | 82.2 Ų | 82.2 | 90% | 0.897 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -72.6 | 14 | -174.7 | -62.5 | 172.5 | -176.7 | 0 | 0 | 114.4 | ||
| 157 | K | 81.1 | Confident | 85.6 | Confident | 81 Ų | 81 | 84.3 Ų | 84.3 | 35% | 0.352 | 43% | 0.43 | S | S | . | . | trans | -81.4 | 127.1 | -179.4 | -66.6 | -167.9 | 175.9 | -169.4 | 0 | 111.2 | C152 C155 F159 | C152-K157 VanDerWaalsContact CB-O 3.28Å; C152-K157 WeakPolarHBondContact CB-O 3.31Å; C152-K157 PolarHBondContact N-O 3.38Å; C155-K157 PolarHBondContact O-N 3.31Å; K157-F159 HydrophobicContact CB-CE2 4.05Å; K157-F159 HydrophobicContact CB-CZ 3.99Å; K157-F159 WeakPolarHBondContact O-CE2 3.41Å | ||
| 158 | S | 88.3 | Confident | 85.6 | Confident | 43 Ų | 43 | 79.6 Ų | 79.6 | 30% | 0.301 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 149.5 | 175.7 | -57.7 | 0 | 0 | 0 | 0 | 112.5 | K148 F150 S151 | K148-S158 VanDerWaalsContact CB-CB 3.48Å; K148-S158 WeakPolarHBondContact CD-O 3.49Å; F150-S158 CarbonylContact O-C 3.5Å; F150-S158 WeakPolarHBondContact O-CA 3.32Å; S151-S158 WeakPolarHBondContact CB-OG 3.48Å |
| 159 | F | 87.4 | Confident | 85.4 | Confident | 42 Ų | 42 | 76 Ų | 76 | 18% | 0.184 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 147.3 | -173.7 | -56.3 | -88.2 | 0 | 0 | 0 | 111.3 | K148 F150 K157 Q161 N164 L165 H168 | K148-F159 CarbonylContact C-O 3.27Å; K148-F159 VanDerWaalsContact C-O 3.32Å; K148-F159 WeakPolarHBondContact CA-O 3.33Å; F150-F159 HydrophobicContact CB-CB 4.45Å; F150-F159 WeakPolarHBondContact CB-O 3.47Å; F150-F159 WeakPolarHBondContact CD2-O 3.34Å; F150-F159 PolarHBondContact N-O 3.13Å; F150-F159 VanDerWaalsContact N-O 3.07Å; F150-F159 PolarHBondContact O-N 2.87Å; K157-F159 HydrophobicContact CB-CE2 4.05Å; K157-F159 HydrophobicContact CB-CZ 3.99Å; K157-F159 WeakPolarHBondContact O-CE2 3.41Å; F159-Q161 VanDerWaalsContact C-N 3.25Å; F159-Q161 PolarHBondContact O-N 3.24Å; F159-N164 HydrophobicContact CB-CB 4.21Å; F159-N164 HydrophobicContact CD1-CB 3.94Å; F159-N164 HydrophobicContact CG-CB 4.29Å; F159-L165 HydrophobicContact CB-CB 4.37Å; F159-L165 HydrophobicContact CD2-CB 3.79Å; F159-L165 HydrophobicContact CD2-CD1 3.77Å; F159-L165 HydrophobicContact CD2-CG 4.38Å; F159-L165 HydrophobicContact CE2-CD1 3.87Å; F159-L165 HydrophobicContact CG-CB 4.27Å; F159-H168 HydrophobicContact CE1-CB 3.99Å; F159-H168 HydrophobicContact CE2-CB 3.77Å; F159-H168 AromaticContact CE2-CD2 3.66Å; F159-H168 AromaticContact CE2-CG 3.56Å; F159-H168 HydrophobicContact CZ-CB 3.39Å; F159-H168 AromaticContact CZ-CD2 3.79Å; F159-H168 AromaticContact CZ-CG 3.22Å; F159-H168 AromaticContact CZ-ND1 3.48Å; F159-H168 WeakPolarHBondContact CZ-ND1 3.21Å |
| 160 | S | 85.8 | Confident | 85.3 | Confident | 40 Ų | 40 | 74.3 Ų | 74.3 | 28% | 0.28 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -76.1 | -12.2 | 174 | 57.3 | 0 | 0 | 0 | 0 | 113.4 | M142 | M142-S160 VanDerWaalsContact CE-O 3.25Å; M142-S160 WeakPolarHBondContact CE-O 3.37Å |
| 161 | Q | 86.2 | Confident | 84.9 | Confident | 52 Ų | 52 | 74.3 Ų | 74.3 | 24% | 0.243 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -139.1 | 133.2 | -177.3 | -67.3 | 177.2 | 79.2 | 0 | 0 | 111.4 | R139 F150 F159 Q163 N164 L165 | R139-Q161 HydrophobicContact CG-CG 4.47Å; F150-Q161 VanDerWaalsContact CD2-C 3.44Å; F159-Q161 VanDerWaalsContact C-N 3.25Å; F159-Q161 PolarHBondContact O-N 3.24Å; Q161-Q163 PolarHBondContact O-N 3.03Å; Q161-N164 HydrophobicContact CB-CB 4.48Å; Q161-N164 WeakPolarHBondContact O-CB 3.35Å; Q161-N164 PolarHBondContact O-N 2.92Å; Q161-L165 PolarHBondContact O-N 3.06Å |
| 162 | K | 86.3 | Confident | 84.6 | Confident | 143 Ų | 143 | 73.6 Ų | 73.6 | 62% | 0.622 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -52.7 | -38.2 | 175.8 | -170.5 | 176.2 | -175.3 | 177.5 | 0 | 113.4 | F150 N164 L165 T166 | F150-K162 HydrophobicContact CD1-CB 3.84Å; F150-K162 HydrophobicContact CD1-CG 4.25Å; F150-K162 VanDerWaalsContact CD2-N 3.27Å; F150-K162 HydrophobicContact CE1-CB 3.7Å; F150-K162 HydrophobicContact CE1-CD 4.5Å; F150-K162 HydrophobicContact CE1-CG 4.26Å; F150-K162 HydrophobicContact CE2-CB 4.37Å; F150-K162 HydrophobicContact CG-CB 4.25Å; F150-K162 HydrophobicContact CZ-CB 3.96Å; K162-N164 VanDerWaalsContact C-N 3.29Å; K162-N164 PolarHBondContact O-N 3.23Å; K162-L165 PolarHBondContact O-N 3.39Å; K162-T166 PolarHBondContact O-N 3.11Å; K162-T166 PolarHBondContact O-OG1 3.25Å |
| 163 | Q | 84.4 | Confident | 84.3 | Confident | 134 Ų | 134 | 76.7 Ų | 76.7 | 63% | 0.626 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -64 | -34.5 | 178.5 | -63.7 | -179.7 | 13.8 | 0 | 0 | 112.4 | Q161 T166 K167 | Q161-Q163 PolarHBondContact O-N 3.03Å; Q163-T166 PolarHBondContact O-N 2.77Å; Q163-K167 WeakPolarHBondContact O-CG 3.4Å; Q163-K167 PolarHBondContact O-N 2.91Å |
| 164 | N | 85.9 | Confident | 83.9 | Confident | 58 Ų | 58 | 74.2 Ų | 74.2 | 31% | 0.31 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -73.1 | -40.9 | 177.8 | -67.6 | -12.7 | 0 | 0 | 0 | 110.6 | F159 Q161 K162 T166 K167 H168 | F159-N164 HydrophobicContact CB-CB 4.21Å; F159-N164 HydrophobicContact CD1-CB 3.94Å; F159-N164 HydrophobicContact CG-CB 4.29Å; Q161-N164 HydrophobicContact CB-CB 4.48Å; Q161-N164 WeakPolarHBondContact O-CB 3.35Å; Q161-N164 PolarHBondContact O-N 2.92Å; K162-N164 VanDerWaalsContact C-N 3.29Å; K162-N164 PolarHBondContact O-N 3.23Å; N164-T166 VanDerWaalsContact C-N 3.34Å; N164-T166 PolarHBondContact O-N 3.09Å; N164-K167 PolarHBondContact O-N 3.23Å; N164-H168 WeakPolarHBondContact O-CB 3.49Å; N164-H168 PolarHBondContact O-N 3.08Å |
| 165 | L | 87.4 | Confident | 84 | Confident | 27 Ų | 27 | 72.7 Ų | 72.7 | 14% | 0.141 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -57.7 | -47.5 | 169.8 | 174.6 | 61.6 | 0 | 0 | 0 | 110.9 | F150 S151 C152 F159 Q161 K162 K167 H168 M169 | F150-L165 HydrophobicContact CB-CB 4.11Å; F150-L165 HydrophobicContact CB-CD2 3.87Å; S151-L165 WeakPolarHBondContact O-CD2 3.45Å; C152-L165 HydrophobicContact CB-CD1 3.75Å; F159-L165 HydrophobicContact CB-CB 4.37Å; F159-L165 HydrophobicContact CD2-CB 3.79Å; F159-L165 HydrophobicContact CD2-CD1 3.77Å; F159-L165 HydrophobicContact CD2-CG 4.38Å; F159-L165 HydrophobicContact CE2-CD1 3.87Å; F159-L165 HydrophobicContact CG-CB 4.27Å; Q161-L165 PolarHBondContact O-N 3.06Å; K162-L165 PolarHBondContact O-N 3.39Å; L165-K167 VanDerWaalsContact C-N 3.32Å; L165-K167 PolarHBondContact O-N 3.29Å; L165-H168 CarbonylContact O-C 3.54Å; L165-H168 WeakPolarHBondContact O-CA 3.21Å; L165-H168 WeakPolarHBondContact O-CB 3.37Å; L165-H168 PolarHBondContact O-N 2.82Å; L165-M169 HydrophobicContact CD1-CG 4.23Å; L165-M169 HydrophobicContact CD1-SD 3.93Å; L165-M169 HydrophobicContact CG-CG 4.41Å; L165-M169 WeakPolarHBondContact O-CG 3.4Å; L165-M169 PolarHBondContact O-N 3.44Å |
| 166 | T | 85.6 | Confident | 84 | Confident | 77 Ų | 77 | 76 Ų | 76 | 47% | 0.472 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -58.8 | -43.3 | 179.2 | -51.9 | 0 | 0 | 0 | 0 | 111.7 | K162 Q163 N164 M169 | K162-T166 PolarHBondContact O-N 3.11Å; K162-T166 PolarHBondContact O-OG1 3.25Å; Q163-T166 PolarHBondContact O-N 2.77Å; N164-T166 VanDerWaalsContact C-N 3.34Å; N164-T166 PolarHBondContact O-N 3.09Å; T166-M169 PolarHBondContact O-N 3.42Å |
| 167 | K | 81.7 | Confident | 84.2 | Confident | 90 Ų | 90 | 69.6 Ų | 69.6 | 39% | 0.391 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.8 | -40 | 174 | -72 | 171 | -175.5 | 174.2 | 0 | 111.9 | Q163 N164 L165 M169 R170 | Q163-K167 WeakPolarHBondContact O-CG 3.4Å; Q163-K167 PolarHBondContact O-N 2.91Å; N164-K167 PolarHBondContact O-N 3.23Å; L165-K167 VanDerWaalsContact C-N 3.32Å; L165-K167 PolarHBondContact O-N 3.29Å; K167-M169 VanDerWaalsContact C-N 3.35Å; K167-R170 WeakPolarHBondContact O-CB 3.17Å; K167-R170 PolarHBondContact O-N 3.48Å |
| 168 | H | 85 | Confident | 84.4 | Confident | 17 Ų | 17 | 68.3 Ų | 68.3 | 8% | 0.079 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.1 | -39.3 | 176.5 | 167.7 | 81.1 | 0 | 0 | 0 | 112 | C152 C155 F159 N164 L165 R170 I171 H172 | C152-H168 PolarHBondContact SG-NE2 3.11Å; C152-H168 VanDerWaalsContact SG-NE2 3.35Å; C155-H168 VanDerWaalsContact SG-CE1 3.54Å; C155-H168 PolarHBondContact SG-NE2 2.81Å; F159-H168 HydrophobicContact CE1-CB 3.99Å; F159-H168 HydrophobicContact CE2-CB 3.77Å; F159-H168 AromaticContact CE2-CD2 3.66Å; F159-H168 AromaticContact CE2-CG 3.56Å; F159-H168 HydrophobicContact CZ-CB 3.39Å; F159-H168 AromaticContact CZ-CD2 3.79Å; F159-H168 AromaticContact CZ-CG 3.22Å; F159-H168 AromaticContact CZ-ND1 3.48Å; F159-H168 WeakPolarHBondContact CZ-ND1 3.21Å; N164-H168 WeakPolarHBondContact O-CB 3.49Å; N164-H168 PolarHBondContact O-N 3.08Å; L165-H168 CarbonylContact O-C 3.54Å; L165-H168 WeakPolarHBondContact O-CA 3.21Å; L165-H168 WeakPolarHBondContact O-CB 3.37Å; L165-H168 PolarHBondContact O-N 2.82Å; H168-R170 PolarHBondContact O-N 3.22Å; H168-I171 VanDerWaalsContact O-CB 3.24Å; H168-I171 WeakPolarHBondContact O-CB 3.42Å; H168-I171 WeakPolarHBondContact O-CG1 3.46Å; H168-I171 PolarHBondContact O-N 3.16Å; H168-H172 AromaticContact CE1-NE2 3.8Å; H168-H172 AromaticContact NE2-CD2 3.7Å; H168-H172 AromaticContact NE2-NE2 3.15Å; H168-H172 PolarHBondContact NE2-NE2 3.37Å; H168-H172 VanDerWaalsContact NE2-NE2 3.15Å |
| 169 | M | 83.1 | Confident | 84.4 | Confident | 51 Ų | 51 | 69 Ų | 69 | 25% | 0.251 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -57.2 | -24.7 | 179.5 | -68.7 | -48.7 | -67.2 | 0 | 0 | 113.2 | C152 K154 L165 T166 K167 I171 H172 T173 | C152-M169 HydrophobicContact CB-SD 4.38Å; C152-M169 PolarHBondContact SG-SD 3.32Å; K154-M169 HydrophobicContact CD-CE 4.24Å; K154-M169 HydrophobicContact CG-CE 4.4Å; L165-M169 HydrophobicContact CD1-CG 4.23Å; L165-M169 HydrophobicContact CD1-SD 3.93Å; L165-M169 HydrophobicContact CG-CG 4.41Å; L165-M169 WeakPolarHBondContact O-CG 3.4Å; L165-M169 PolarHBondContact O-N 3.44Å; T166-M169 PolarHBondContact O-N 3.42Å; K167-M169 VanDerWaalsContact C-N 3.35Å; M169-I171 PolarHBondContact O-N 2.76Å; M169-I171 VanDerWaalsContact O-N 3.15Å; M169-H172 PolarHBondContact O-N 3.25Å; M169-T173 PolarHBondContact O-N 3.44Å; M169-T173 VanDerWaalsContact O-N 3.09Å; M169-T173 PolarHBondContact O-OG1 2.77Å |
| 170 | R | 85.1 | Confident | 84.3 | Confident | 47 Ų | 47 | 67 Ų | 67 | 18% | 0.177 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -16.5 | 173.5 | -57 | 179.6 | -177.2 | 169.5 | -1.3 | 114.1 | K167 H168 T173 S174 E175 R188 | K167-R170 WeakPolarHBondContact O-CB 3.17Å; K167-R170 PolarHBondContact O-N 3.48Å; H168-R170 PolarHBondContact O-N 3.22Å; R170-T173 WeakPolarHBondContact CA-OG1 3.3Å; R170-S174 PolarHBondContact O-N 2.79Å; R170-E175 HydrophobicContact CG-CB 4.46Å; R170-R188 VanDerWaalsContact C-NE 3.33Å; R170-R188 HydrophobicContact CB-CG 3.58Å; R170-R188 HydrophobicContact CG-CG 4.43Å; R170-R188 PolarHBondContact NH1-O 3.39Å; R170-R188 PolarHBondContact O-NE 2.91Å; R170-R188 PolarHBondContact O-NH2 3.4Å |
| 171 | I | 81.9 | Confident | 84.3 | Confident | 73 Ų | 73 | 73 Ų | 73 | 37% | 0.374 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -44 | 170.8 | -64.8 | 164.1 | 0 | 0 | 0 | 109.9 | H168 M169 R188 | H168-I171 VanDerWaalsContact O-CB 3.24Å; H168-I171 WeakPolarHBondContact O-CB 3.42Å; H168-I171 WeakPolarHBondContact O-CG1 3.46Å; H168-I171 PolarHBondContact O-N 3.16Å; M169-I171 PolarHBondContact O-N 2.76Å; M169-I171 VanDerWaalsContact O-N 3.15Å; I171-R188 VanDerWaalsContact CA-CZ 3.49Å |
| 172 | H | 81.4 | Confident | 84.1 | Confident | 58 Ų | 58 | 74.9 Ų | 74.9 | 27% | 0.269 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -25.8 | -174.8 | -60.1 | -60.8 | 0 | 0 | 0 | 113.9 | C152 K154 C155 H168 M169 | C152-H172 PolarHBondContact SG-NE2 3.39Å; C152-H172 VanDerWaalsContact SG-NE2 3.42Å; K154-H172 HydrophobicContact CB-CB 4.42Å; K154-H172 HydrophobicContact CD-CB 3.44Å; K154-H172 VanDerWaalsContact CD-CB 3.44Å; C155-H172 PolarHBondContact SG-NE2 3.29Å; C155-H172 VanDerWaalsContact SG-NE2 3.41Å; H168-H172 AromaticContact CE1-NE2 3.8Å; H168-H172 AromaticContact NE2-CD2 3.7Å; H168-H172 AromaticContact NE2-NE2 3.15Å; H168-H172 PolarHBondContact NE2-NE2 3.37Å; H168-H172 VanDerWaalsContact NE2-NE2 3.15Å; M169-H172 PolarHBondContact O-N 3.25Å |
| 173 | T | 82 | Confident | 83.9 | Confident | 74 Ų | 74 | 70.9 Ų | 70.9 | 45% | 0.454 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -92.5 | -4.5 | 178.5 | 57.9 | 0 | 0 | 0 | 0 | 112.7 | M169 R170 E175 | M169-T173 PolarHBondContact O-N 3.44Å; M169-T173 VanDerWaalsContact O-N 3.09Å; M169-T173 PolarHBondContact O-OG1 2.77Å; R170-T173 WeakPolarHBondContact CA-OG1 3.3Å; T173-E175 PolarHBondContact O-N 2.95Å; T173-E175 WeakPolarHBondContact OG1-CB 3.25Å |
| 174 | S | 77.2 | Confident | 83.8 | Confident | 89 Ų | 89 | 67 Ų | 67 | 62% | 0.622 | 37% | 0.374 | S | S | * | . | trans | 51.6 | 18.1 | -171.5 | -64.7 | 0 | 0 | 0 | 0 | 114.3 | R170 K176 | R170-S174 PolarHBondContact O-N 2.79Å; S174-K176 PolarHBondContact O-N 3.21Å | ||
| 175 | E | 81.6 | Confident | 83.5 | Confident | 100 Ų | 100 | 69 Ų | 69 | 47% | 0.467 | 38% | 0.38 | S | S | . | . | trans | -66.2 | 127.1 | -179.5 | -166.2 | -165.6 | 166.1 | 0 | 0 | 109.7 | R170 T173 P177 | R170-E175 HydrophobicContact CG-CB 4.46Å; T173-E175 PolarHBondContact O-N 2.95Å; T173-E175 WeakPolarHBondContact OG1-CB 3.25Å; E175-P177 HydrophobicContact CG-CG 3.95Å; E175-P177 WeakPolarHBondContact O-CD 3.27Å | ||
| 176 | K | 85.1 | Confident | 83.4 | Confident | 109 Ų | 109 | 69.8 Ų | 69.8 | 47% | 0.474 | 39% | 0.388 | S | S | . | . | trans | -123.5 | 76.8 | 179 | -73.5 | 171.7 | 162.7 | -156.4 | 0 | 109.5 | S174 F178 S186 F187 | S174-K176 PolarHBondContact O-N 3.21Å; K176-F178 PolarHBondContact O-N 3.34Å; K176-F178 VanDerWaalsContact O-N 3.1Å; K176-S186 VanDerWaalsContact CD-O 3.28Å; K176-S186 WeakPolarHBondContact CD-O 3.24Å; K176-S186 PolarHBondContact NZ-O 3.28Å; K176-F187 CarbonylContact C-O 3.53Å; K176-F187 VanDerWaalsContact C-O 3.24Å; K176-F187 WeakPolarHBondContact CA-O 3.46Å | ||
| 177 | P | 85.8 | Confident | 83.3 | Confident | 56 Ų | 56 | 66.7 Ų | 66.7 | 36% | 0.364 | 37% | 0.368 | S | S | . | . | trans | -68 | -12.6 | -170.3 | -19.2 | 31.8 | 0 | 0 | 0 | 114.8 | E175 | E175-P177 HydrophobicContact CG-CG 3.95Å; E175-P177 WeakPolarHBondContact O-CD 3.27Å | ||
| 178 | F | 86 | Confident | 83.2 | Confident | 54 Ų | 54 | 65.6 Ų | 65.6 | 24% | 0.237 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 98 | -172.3 | -56.2 | -75.1 | 0 | 0 | 0 | 109.6 | K176 S186 F187 R188 K190 L193 | K176-F178 PolarHBondContact O-N 3.34Å; K176-F178 VanDerWaalsContact O-N 3.1Å; F178-S186 CarbonylContact O-C 3.31Å; F178-S186 WeakPolarHBondContact O-CA 3.38Å; F178-F187 HydrophobicContact CB-CB 4.39Å; F178-F187 PolarHBondContact N-O 3.09Å; F178-F187 VanDerWaalsContact N-O 3.13Å; F178-F187 WeakPolarHBondContact O-CD2 3.42Å; F178-F187 PolarHBondContact O-N 2.88Å; F178-R188 WeakPolarHBondContact CE2-O 3.4Å; F178-K190 HydrophobicContact CD1-CB 4.03Å; F178-K190 HydrophobicContact CD1-CG 4.38Å; F178-K190 VanDerWaalsContact CD2-N 3.33Å; F178-K190 HydrophobicContact CE1-CB 3.78Å; F178-K190 HydrophobicContact CE1-CG 4.31Å; F178-K190 HydrophobicContact CE2-CB 4.28Å; F178-K190 VanDerWaalsContact CE2-N 3.32Å; F178-K190 HydrophobicContact CG-CB 4.4Å; F178-K190 HydrophobicContact CZ-CB 3.91Å; F178-L193 HydrophobicContact CB-CB 3.95Å; F178-L193 HydrophobicContact CB-CD2 3.82Å; F178-L193 HydrophobicContact CB-CG 4.49Å |
| 179 | S | 86.5 | Confident | 83 | Confident | 57 Ų | 57 | 68.6 Ų | 68.6 | 40% | 0.399 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 142.6 | 177.7 | 49.8 | 0 | 0 | 0 | 0 | 112.1 | S186 L193 | S179-S186 WeakPolarHBondContact CB-OG 3.28Å; S179-L193 WeakPolarHBondContact O-CD2 3.5Å |
| 180 | C | 86.1 | Confident | 82.9 | Confident | 1 Ų | 1 | 72.9 Ų | 72.9 | 1% | 0.007 | 39% | 0.392 | C | S | . | . | trans | -78.7 | 121.4 | 166 | 176.9 | 0 | 0 | 0 | 0 | 108.7 | T182 C183 G184 K185 F187 L193 H196 M197 H200 | C180-T182 VanDerWaalsContact C-N 3.26Å; C180-T182 PolarHBondContact O-N 2.94Å; C180-T182 PolarHBondContact SG-N 3.15Å; C180-T182 VanDerWaalsContact SG-N 3.37Å; C180-C183 PolarHBondContact SG-N 2.87Å; C180-C183 VanDerWaalsContact SG-SG 3.64Å; C180-G184 WeakPolarHBondContact O-CA 3.43Å; C180-G184 PolarHBondContact O-N 3.2Å; C180-K185 WeakPolarHBondContact CB-O 3.42Å; C180-K185 PolarHBondContact N-O 3.42Å; C180-F187 HydrophobicContact CB-CE2 4.38Å; C180-L193 HydrophobicContact CB-CD1 3.79Å; C180-H196 PolarHBondContact SG-NE2 3.4Å; C180-H196 VanDerWaalsContact SG-NE2 3.36Å; C180-M197 HydrophobicContact CB-SD 4.18Å; C180-M197 PolarHBondContact SG-SD 2.97Å; C180-H200 PolarHBondContact SG-NE2 2.84Å | ||
| 181 | L | 85.2 | Confident | 82.5 | Confident | 167 Ų | 167 | 75.7 Ų | 75.7 | 87% | 0.874 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -22.5 | 177.2 | -62.3 | 177.4 | 0 | 0 | 0 | 112.4 | ||
| 182 | T | 82.9 | Confident | 82.4 | Confident | 91 Ų | 91 | 72.9 Ų | 72.9 | 56% | 0.558 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -39 | -177.6 | -46.6 | 0 | 0 | 0 | 0 | 113 | C180 H200 | C180-T182 VanDerWaalsContact C-N 3.26Å; C180-T182 PolarHBondContact O-N 2.94Å; C180-T182 PolarHBondContact SG-N 3.15Å; C180-T182 VanDerWaalsContact SG-N 3.37Å; T182-H200 HydrophobicContact CG2-CB 4.24Å |
| 183 | C | 83.1 | Confident | 82.4 | Confident | 58 Ų | 58 | 71.5 Ų | 71.5 | 39% | 0.392 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.9 | 6.1 | -177.2 | 73.4 | 0 | 0 | 0 | 0 | 114.8 | C180 K185 H196 | C180-C183 PolarHBondContact SG-N 2.87Å; C180-C183 VanDerWaalsContact SG-SG 3.64Å; C183-K185 PolarHBondContact O-N 3.45Å; C183-H196 PolarHBondContact SG-CE1 3.15Å; C183-H196 PolarHBondContact SG-NE2 3.41Å |
| 184 | G | 82.3 | Confident | 82.3 | Confident | 53 Ų | 53 | 71.5 Ų | 71.5 | 55% | 0.546 | 39% | 0.387 | S | S | . | . | trans | 72.8 | -7.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | C180 S186 | C180-G184 WeakPolarHBondContact O-CA 3.43Å; C180-G184 PolarHBondContact O-N 3.2Å; G184-S186 PolarHBondContact O-N 3.35Å; G184-S186 PolarHBondContact O-OG 3.46Å | ||
| 185 | K | 79 | Confident | 82 | Confident | 101 Ų | 101 | 70 Ų | 70 | 44% | 0.439 | 37% | 0.371 | S | S | . | . | trans | -61.3 | 132.3 | 178.6 | -71 | -173.8 | -177.7 | -176.6 | 0 | 110.6 | E22 C180 C183 F187 | E22-K185 IonicContact OE2-NZ 3.17Å; E22-K185 PolarHBondContact OE2-NZ 3.16Å; C180-K185 WeakPolarHBondContact CB-O 3.42Å; C180-K185 PolarHBondContact N-O 3.42Å; C183-K185 PolarHBondContact O-N 3.45Å; K185-F187 HydrophobicContact CB-CE2 3.97Å; K185-F187 HydrophobicContact CB-CZ 3.89Å; K185-F187 VanDerWaalsContact O-CE2 3.29Å; K185-F187 WeakPolarHBondContact O-CE2 3.41Å | ||
| 186 | S | 86 | Confident | 81.8 | Confident | 42 Ų | 42 | 66 Ų | 66 | 29% | 0.294 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 144.1 | -176.5 | -59 | 0 | 0 | 0 | 0 | 113 | K176 F178 S179 G184 | K176-S186 VanDerWaalsContact CD-O 3.28Å; K176-S186 WeakPolarHBondContact CD-O 3.24Å; K176-S186 PolarHBondContact NZ-O 3.28Å; F178-S186 CarbonylContact O-C 3.31Å; F178-S186 WeakPolarHBondContact O-CA 3.38Å; S179-S186 WeakPolarHBondContact CB-OG 3.28Å; G184-S186 PolarHBondContact O-N 3.35Å; G184-S186 PolarHBondContact O-OG 3.46Å |
| 187 | F | 82.3 | Confident | 81.3 | Confident | 13 Ų | 13 | 63.5 Ų | 63.5 | 6% | 0.057 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 149.5 | -169.6 | -56.7 | -84.8 | 0 | 0 | 0 | 112.1 | K176 F178 C180 K185 C192 L193 H196 | K176-F187 CarbonylContact C-O 3.53Å; K176-F187 VanDerWaalsContact C-O 3.24Å; K176-F187 WeakPolarHBondContact CA-O 3.46Å; F178-F187 HydrophobicContact CB-CB 4.39Å; F178-F187 PolarHBondContact N-O 3.09Å; F178-F187 VanDerWaalsContact N-O 3.13Å; F178-F187 WeakPolarHBondContact O-CD2 3.42Å; F178-F187 PolarHBondContact O-N 2.88Å; C180-F187 HydrophobicContact CB-CE2 4.38Å; K185-F187 HydrophobicContact CB-CE2 3.97Å; K185-F187 HydrophobicContact CB-CZ 3.89Å; K185-F187 VanDerWaalsContact O-CE2 3.29Å; K185-F187 WeakPolarHBondContact O-CE2 3.41Å; F187-C192 HydrophobicContact CB-CB 3.93Å; F187-C192 HydrophobicContact CD1-CB 3.82Å; F187-C192 HydrophobicContact CG-CB 4.1Å; F187-L193 HydrophobicContact CB-CB 4.34Å; F187-L193 HydrophobicContact CD2-CB 3.85Å; F187-L193 HydrophobicContact CD2-CD1 3.78Å; F187-L193 HydrophobicContact CD2-CG 4.43Å; F187-L193 HydrophobicContact CE2-CD1 3.94Å; F187-L193 HydrophobicContact CG-CB 4.3Å; F187-H196 HydrophobicContact CE1-CB 3.93Å; F187-H196 HydrophobicContact CE2-CB 3.67Å; F187-H196 AromaticContact CE2-CD2 3.53Å; F187-H196 AromaticContact CE2-CG 3.48Å; F187-H196 VanDerWaalsContact CE2-CG 3.48Å; F187-H196 HydrophobicContact CZ-CB 3.34Å; F187-H196 AromaticContact CZ-CD2 3.67Å; F187-H196 AromaticContact CZ-CG 3.15Å; F187-H196 AromaticContact CZ-ND1 3.51Å |
| 188 | R | 80.4 | Confident | 80.6 | Confident | 67 Ų | 67 | 63.2 Ų | 63.2 | 25% | 0.253 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -76.5 | -30.4 | -179.9 | -175.4 | 176.2 | -69.7 | 144.3 | 0.4 | 113.3 | R170 I171 F178 | R170-R188 VanDerWaalsContact C-NE 3.33Å; R170-R188 HydrophobicContact CB-CG 3.58Å; R170-R188 HydrophobicContact CG-CG 4.43Å; R170-R188 PolarHBondContact NH1-O 3.39Å; R170-R188 PolarHBondContact O-NE 2.91Å; R170-R188 PolarHBondContact O-NH2 3.4Å; I171-R188 VanDerWaalsContact CA-CZ 3.49Å; F178-R188 WeakPolarHBondContact CE2-O 3.4Å |
| 189 | H | 80.6 | Confident | 79.9 | Confident | 79 Ų | 79 | 66.4 Ų | 66.4 | 37% | 0.366 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -126.5 | 143.4 | -177.5 | -58.3 | -88.6 | 0 | 0 | 0 | 110.9 | F191 C192 L193 | H189-F191 VanDerWaalsContact C-N 3.27Å; H189-F191 PolarHBondContact O-N 2.87Å; H189-C192 WeakPolarHBondContact O-CB 3.3Å; H189-C192 PolarHBondContact O-N 3.47Å; H189-C192 VanDerWaalsContact O-N 3.1Å; H189-L193 PolarHBondContact O-N 3.05Å |
| 190 | K | 80.9 | Confident | 79.4 | Confident | 142 Ų | 142 | 66.9 Ų | 66.9 | 62% | 0.617 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -57 | -40.1 | 178.9 | -173.8 | 176.3 | 179.7 | 177.9 | 0 | 112.4 | F178 C192 L193 T194 | F178-K190 HydrophobicContact CD1-CB 4.03Å; F178-K190 HydrophobicContact CD1-CG 4.38Å; F178-K190 VanDerWaalsContact CD2-N 3.33Å; F178-K190 HydrophobicContact CE1-CB 3.78Å; F178-K190 HydrophobicContact CE1-CG 4.31Å; F178-K190 HydrophobicContact CE2-CB 4.28Å; F178-K190 VanDerWaalsContact CE2-N 3.32Å; F178-K190 HydrophobicContact CG-CB 4.4Å; F178-K190 HydrophobicContact CZ-CB 3.91Å; K190-C192 VanDerWaalsContact C-N 3.29Å; K190-C192 PolarHBondContact O-N 3.46Å; K190-L193 WeakPolarHBondContact O-CB 3.48Å; K190-L193 PolarHBondContact O-N 3.02Å; K190-L193 VanDerWaalsContact O-N 3.16Å; K190-T194 PolarHBondContact O-N 3.25Å; K190-T194 PolarHBondContact O-OG1 3.16Å; K190-T194 VanDerWaalsContact O-OG1 3.13Å |
| 191 | F | 76.3 | Confident | 78.5 | Confident | 105 Ų | 105 | 70.1 Ų | 70.1 | 46% | 0.461 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -59.2 | -39 | 178.1 | 176.2 | -99.3 | 0 | 0 | 0 | 112.5 | H189 T194 Q195 Q217 | H189-F191 VanDerWaalsContact C-N 3.27Å; H189-F191 PolarHBondContact O-N 2.87Å; F191-T194 PolarHBondContact O-N 3.43Å; F191-Q195 WeakPolarHBondContact O-CB 3.37Å; F191-Q195 PolarHBondContact O-N 3.4Å; F191-Q217 HydrophobicContact CZ-CG 4.35Å |
| 192 | C | 79.6 | Confident | 77.3 | Confident | 15 Ų | 15 | 67.5 Ų | 67.5 | 10% | 0.101 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.3 | -41.1 | 176.8 | -53.4 | 0 | 0 | 0 | 0 | 111.3 | C26 F187 H189 K190 Q195 H196 | C26-C192 PolarHBondContact SG-SG 3.43Å; F187-C192 HydrophobicContact CB-CB 3.93Å; F187-C192 HydrophobicContact CD1-CB 3.82Å; F187-C192 HydrophobicContact CG-CB 4.1Å; H189-C192 WeakPolarHBondContact O-CB 3.3Å; H189-C192 PolarHBondContact O-N 3.47Å; H189-C192 VanDerWaalsContact O-N 3.1Å; K190-C192 VanDerWaalsContact C-N 3.29Å; K190-C192 PolarHBondContact O-N 3.46Å; C192-Q195 PolarHBondContact O-N 2.9Å; C192-H196 VanDerWaalsContact O-CB 3.26Å; C192-H196 WeakPolarHBondContact O-CB 3.41Å; C192-H196 PolarHBondContact O-N 2.99Å |
| 193 | L | 81.9 | Confident | 76.3 | Confident | 29 Ų | 29 | 69.4 Ų | 69.4 | 15% | 0.152 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.2 | -47.4 | 172.3 | 174 | 62.6 | 0 | 0 | 0 | 110.7 | F178 S179 C180 F187 H189 K190 Q195 H196 M197 | F178-L193 HydrophobicContact CB-CB 3.95Å; F178-L193 HydrophobicContact CB-CD2 3.82Å; F178-L193 HydrophobicContact CB-CG 4.49Å; S179-L193 WeakPolarHBondContact O-CD2 3.5Å; C180-L193 HydrophobicContact CB-CD1 3.79Å; F187-L193 HydrophobicContact CB-CB 4.34Å; F187-L193 HydrophobicContact CD2-CB 3.85Å; F187-L193 HydrophobicContact CD2-CD1 3.78Å; F187-L193 HydrophobicContact CD2-CG 4.43Å; F187-L193 HydrophobicContact CE2-CD1 3.94Å; F187-L193 HydrophobicContact CG-CB 4.3Å; H189-L193 PolarHBondContact O-N 3.05Å; K190-L193 WeakPolarHBondContact O-CB 3.48Å; K190-L193 PolarHBondContact O-N 3.02Å; K190-L193 VanDerWaalsContact O-N 3.16Å; L193-Q195 VanDerWaalsContact C-N 3.31Å; L193-Q195 PolarHBondContact O-N 3.39Å; L193-H196 CarbonylContact O-C 3.58Å; L193-H196 WeakPolarHBondContact O-CB 3.29Å; L193-H196 PolarHBondContact O-N 2.96Å; L193-H196 VanDerWaalsContact O-N 3.09Å; L193-M197 HydrophobicContact CD1-CG 4.06Å; L193-M197 HydrophobicContact CD1-SD 3.99Å; L193-M197 HydrophobicContact CG-CG 4.29Å; L193-M197 VanDerWaalsContact O-CG 3.3Å; L193-M197 WeakPolarHBondContact O-CG 3.36Å; L193-M197 PolarHBondContact O-N 3.1Å |
| 194 | T | 78.7 | Confident | 75 | Confident | 73 Ų | 73 | 74.8 Ų | 74.8 | 45% | 0.448 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -57.5 | -45 | 177.5 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | K190 F191 H196 M197 M198 | K190-T194 PolarHBondContact O-N 3.25Å; K190-T194 PolarHBondContact O-OG1 3.16Å; K190-T194 VanDerWaalsContact O-OG1 3.13Å; F191-T194 PolarHBondContact O-N 3.43Å; T194-H196 VanDerWaalsContact C-N 3.33Å; T194-H196 PolarHBondContact O-N 3.06Å; T194-M197 PolarHBondContact O-N 2.75Å; T194-M198 WeakPolarHBondContact O-CG 3.48Å |
| 195 | Q | 71 | Confident | 74.3 | Confident | 59 Ų | 59 | 74.7 Ų | 74.7 | 28% | 0.276 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.9 | -41.3 | 175 | -175 | -171.6 | -5.2 | 0 | 0 | 111.9 | F191 C192 L193 M198 M205 | F191-Q195 WeakPolarHBondContact O-CB 3.37Å; F191-Q195 PolarHBondContact O-N 3.4Å; C192-Q195 PolarHBondContact O-N 2.9Å; L193-Q195 VanDerWaalsContact C-N 3.31Å; L193-Q195 PolarHBondContact O-N 3.39Å; Q195-M198 WeakPolarHBondContact O-CB 3.44Å; Q195-M198 WeakPolarHBondContact O-CG 3.35Å; Q195-M198 PolarHBondContact O-N 2.74Å; Q195-M205 HydrophobicContact CG-CE 3.41Å; Q195-M205 VanDerWaalsContact CG-CE 3.41Å |
| 196 | H | 78.4 | Confident | 74.1 | Confident | 16 Ų | 16 | 74.3 Ų | 74.3 | 7% | 0.074 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66.2 | -38.4 | 177 | 170.4 | 75 | 0 | 0 | 0 | 112.5 | C180 C183 F187 C192 L193 T194 M198 I199 H200 | C180-H196 PolarHBondContact SG-NE2 3.4Å; C180-H196 VanDerWaalsContact SG-NE2 3.36Å; C183-H196 PolarHBondContact SG-CE1 3.15Å; C183-H196 PolarHBondContact SG-NE2 3.41Å; F187-H196 HydrophobicContact CE1-CB 3.93Å; F187-H196 HydrophobicContact CE2-CB 3.67Å; F187-H196 AromaticContact CE2-CD2 3.53Å; F187-H196 AromaticContact CE2-CG 3.48Å; F187-H196 VanDerWaalsContact CE2-CG 3.48Å; F187-H196 HydrophobicContact CZ-CB 3.34Å; F187-H196 AromaticContact CZ-CD2 3.67Å; F187-H196 AromaticContact CZ-CG 3.15Å; F187-H196 AromaticContact CZ-ND1 3.51Å; C192-H196 VanDerWaalsContact O-CB 3.26Å; C192-H196 WeakPolarHBondContact O-CB 3.41Å; C192-H196 PolarHBondContact O-N 2.99Å; L193-H196 CarbonylContact O-C 3.58Å; L193-H196 WeakPolarHBondContact O-CB 3.29Å; L193-H196 PolarHBondContact O-N 2.96Å; L193-H196 VanDerWaalsContact O-N 3.09Å; T194-H196 VanDerWaalsContact C-N 3.33Å; T194-H196 PolarHBondContact O-N 3.06Å; H196-M198 PolarHBondContact O-N 3.15Å; H196-M198 VanDerWaalsContact O-N 3.14Å; H196-I199 VanDerWaalsContact O-CB 3.28Å; H196-I199 WeakPolarHBondContact O-CB 3.38Å; H196-I199 WeakPolarHBondContact O-CG1 3.16Å; H196-I199 PolarHBondContact O-N 3.03Å; H196-H200 AromaticContact CD2-NE2 3.9Å; H196-H200 AromaticContact CE1-NE2 3.66Å; H196-H200 AromaticContact NE2-CD2 3.8Å; H196-H200 AromaticContact NE2-NE2 3.05Å; H196-H200 PolarHBondContact NE2-NE2 3.03Å |
| 197 | M | 74.9 | Confident | 73.7 | Confident | 55 Ų | 55 | 73.9 Ų | 73.9 | 27% | 0.271 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.8 | -25.5 | 177.8 | -69.8 | -52 | -61 | 0 | 0 | 112.4 | C180 L193 T194 I199 H200 T201 | C180-M197 HydrophobicContact CB-SD 4.18Å; C180-M197 PolarHBondContact SG-SD 2.97Å; L193-M197 HydrophobicContact CD1-CG 4.06Å; L193-M197 HydrophobicContact CD1-SD 3.99Å; L193-M197 HydrophobicContact CG-CG 4.29Å; L193-M197 VanDerWaalsContact O-CG 3.3Å; L193-M197 WeakPolarHBondContact O-CG 3.36Å; L193-M197 PolarHBondContact O-N 3.1Å; T194-M197 PolarHBondContact O-N 2.75Å; M197-I199 PolarHBondContact O-N 3.37Å; M197-H200 PolarHBondContact O-N 2.82Å; M197-T201 PolarHBondContact O-N 2.98Å; M197-T201 VanDerWaalsContact O-N 3.1Å; M197-T201 PolarHBondContact O-OG1 3.07Å |
| 198 | M | 71.7 | Confident | 73.6 | Confident | 51 Ų | 51 | 73.4 Ų | 73.4 | 25% | 0.251 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.2 | -20.2 | 175.5 | -46.7 | -53 | -71.5 | 0 | 0 | 113.2 | T194 Q195 H196 H200 S202 E203 | T194-M198 WeakPolarHBondContact O-CG 3.48Å; Q195-M198 WeakPolarHBondContact O-CB 3.44Å; Q195-M198 WeakPolarHBondContact O-CG 3.35Å; Q195-M198 PolarHBondContact O-N 2.74Å; H196-M198 PolarHBondContact O-N 3.15Å; H196-M198 VanDerWaalsContact O-N 3.14Å; M198-H200 VanDerWaalsContact C-N 3.29Å; M198-S202 PolarHBondContact O-N 3.41Å; M198-E203 HydrophobicContact CE-CB 3.37Å; M198-E203 VanDerWaalsContact CE-O 3.25Å; M198-E203 WeakPolarHBondContact CE-O 3.45Å |
| 199 | I | 71.1 | Confident | 73.6 | Confident | 120 Ų | 120 | 73.8 Ų | 73.8 | 62% | 0.615 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -68.1 | -33.8 | 172.7 | -57.9 | 174.1 | 0 | 0 | 0 | 110.4 | H196 M197 | H196-I199 VanDerWaalsContact O-CB 3.28Å; H196-I199 WeakPolarHBondContact O-CB 3.38Å; H196-I199 WeakPolarHBondContact O-CG1 3.16Å; H196-I199 PolarHBondContact O-N 3.03Å; M197-I199 PolarHBondContact O-N 3.37Å |
| 200 | H | 74.3 | Confident | 73.6 | Confident | 68 Ų | 68 | 75.4 Ų | 75.4 | 32% | 0.315 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -87 | -33.7 | -178.3 | -58.5 | -59.3 | 0 | 0 | 0 | 112.5 | C180 T182 H196 M197 M198 | C180-H200 PolarHBondContact SG-NE2 2.84Å; T182-H200 HydrophobicContact CG2-CB 4.24Å; H196-H200 AromaticContact CD2-NE2 3.9Å; H196-H200 AromaticContact CE1-NE2 3.66Å; H196-H200 AromaticContact NE2-CD2 3.8Å; H196-H200 AromaticContact NE2-NE2 3.05Å; H196-H200 PolarHBondContact NE2-NE2 3.03Å; M197-H200 PolarHBondContact O-N 2.82Å; M198-H200 VanDerWaalsContact C-N 3.29Å |
| 201 | T | 68.3 | Low | 73.6 | Confident | 68 Ų | 68 | 71.3 Ų | 71.3 | 42% | 0.417 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -91.3 | -6.9 | -173.7 | 58.6 | 0 | 0 | 0 | 0 | 113.9 | M197 E203 | M197-T201 PolarHBondContact O-N 2.98Å; M197-T201 VanDerWaalsContact O-N 3.1Å; M197-T201 PolarHBondContact O-OG1 3.07Å; T201-E203 PolarHBondContact O-N 2.86Å |
| 202 | S | 59.8 | Low | 73.5 | Confident | 113 Ų | 113 | 68.8 Ų | 68.8 | 79% | 0.79 | 39% | 0.394 | S | S | * | . | trans | 52.9 | 11.3 | -172.3 | -60.7 | 0 | 0 | 0 | 0 | 114.3 | M198 | M198-S202 PolarHBondContact O-N 3.41Š| ||
| 203 | E | 61.7 | Low | 73.1 | Confident | 131 Ų | 131 | 74.1 Ų | 74.1 | 61% | 0.612 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -73.7 | 137.5 | 175.5 | -74.3 | -174 | 162.7 | 0 | 0 | 109.2 | M198 T201 M205 | M198-E203 HydrophobicContact CE-CB 3.37Å; M198-E203 VanDerWaalsContact CE-O 3.25Å; M198-E203 WeakPolarHBondContact CE-O 3.45Å; T201-E203 PolarHBondContact O-N 2.86Å; E203-M205 PolarHBondContact O-N 3.48Å |
| 204 | K | 56.4 | Low | 72.8 | Confident | 171 Ų | 171 | 75.9 Ų | 75.9 | 74% | 0.743 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -75.4 | 123.8 | -158.7 | -128.4 | 178.3 | -172.3 | -179.2 | 0 | 112.7 | S207 | K204-S207 WeakPolarHBondContact CE-OG 3.46Š|
| 205 | M | 67.1 | Low | 72.6 | Confident | 51 Ų | 51 | 74.4 Ų | 74.4 | 25% | 0.251 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -56 | 164.7 | 148 | -81.4 | -175.1 | 165.5 | 0 | 0 | 110.5 | Q195 E203 S207 F215 | Q195-M205 HydrophobicContact CG-CE 3.41Å; Q195-M205 VanDerWaalsContact CG-CE 3.41Å; E203-M205 PolarHBondContact O-N 3.48Å; M205-S207 VanDerWaalsContact C-N 3.33Å; M205-S207 PolarHBondContact O-N 3.47Å; M205-F215 WeakPolarHBondContact CB-O 3.43Å |
| 206 | F | 75.3 | Confident | 72.6 | Confident | 92 Ų | 92 | 73.5 Ų | 73.5 | 40% | 0.404 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 96.1 | 168.7 | -64 | -79.8 | 0 | 0 | 0 | 108.2 | F215 Q217 K218 L221 | F206-F215 HydrophobicContact CB-CB 4.48Å; F206-F215 PolarHBondContact N-O 3.08Å; F206-F215 WeakPolarHBondContact O-CD2 3.33Å; F206-F215 PolarHBondContact O-N 3.38Å; F206-Q217 VanDerWaalsContact CD2-C 3.45Å; F206-K218 HydrophobicContact CD1-CB 3.88Å; F206-K218 HydrophobicContact CD1-CG 4.07Å; F206-K218 HydrophobicContact CD2-CB 4.18Å; F206-K218 HydrophobicContact CE1-CB 3.7Å; F206-K218 HydrophobicContact CE1-CD 4.11Å; F206-K218 HydrophobicContact CE1-CG 4.03Å; F206-K218 HydrophobicContact CE2-CB 4Å; F206-K218 HydrophobicContact CG-CB 4.12Å; F206-K218 HydrophobicContact CZ-CB 3.76Å; F206-L221 HydrophobicContact CB-CB 3.87Å; F206-L221 HydrophobicContact CB-CD2 3.71Å; F206-L221 HydrophobicContact CB-CG 4.39Å |
| 207 | S | 76.4 | Confident | 72.4 | Confident | 34 Ų | 34 | 77.1 Ų | 77.1 | 24% | 0.238 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 140.4 | -176.4 | 61.2 | 0 | 0 | 0 | 0 | 111.9 | K204 M205 K213 | K204-S207 WeakPolarHBondContact CE-OG 3.46Å; M205-S207 VanDerWaalsContact C-N 3.33Å; M205-S207 PolarHBondContact O-N 3.47Å; S207-K213 CarbonylContact C-O 3.6Å; S207-K213 WeakPolarHBondContact CA-O 3.36Å |
| 208 | C | 80.5 | Confident | 72.6 | Confident | 3 Ų | 3 | 80.8 Ų | 80.8 | 2% | 0.02 | 45% | 0.449 | C | S | . | . | trans | -75 | 125.7 | 167.8 | -178.9 | 0 | 0 | 0 | 0 | 110.3 | N210 C211 G212 K213 F215 L221 H224 M225 H228 | C208-N210 VanDerWaalsContact C-N 3.3Å; C208-N210 PolarHBondContact O-N 2.77Å; C208-N210 PolarHBondContact SG-N 3.07Å; C208-N210 VanDerWaalsContact SG-N 3.39Å; C208-C211 VanDerWaalsContact SG-SG 3.68Å; C208-G212 VanDerWaalsContact O-CA 3.29Å; C208-G212 WeakPolarHBondContact O-CA 3.28Å; C208-G212 PolarHBondContact O-N 3.46Å; C208-K213 PolarHBondContact N-O 2.89Å; C208-F215 HydrophobicContact CB-CE2 4.45Å; C208-L221 HydrophobicContact CB-CD1 3.84Å; C208-H224 WeakPolarHBondContact CB-NE2 3.32Å; C208-H224 PolarHBondContact SG-NE2 3.01Å; C208-H224 VanDerWaalsContact SG-NE2 3.42Å; C208-M225 HydrophobicContact CB-SD 4.35Å; C208-M225 VanDerWaalsContact SG-SD 3.61Å; C208-H228 PolarHBondContact SG-CD2 3.36Å; C208-H228 PolarHBondContact SG-NE2 2.87Å; C208-H228 VanDerWaalsContact SG-NE2 3.35Å | ||
| 209 | G | 79.9 | Confident | 73.2 | Confident | 75 Ų | 75 | 82.5 Ų | 82.5 | 77% | 0.773 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -26.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 210 | N | 81.6 | Confident | 73.7 | Confident | 113 Ų | 113 | 79.3 Ų | 79.3 | 60% | 0.604 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -33.6 | -174.6 | -61.5 | 65.6 | 0 | 0 | 0 | 113.7 | C208 | C208-N210 VanDerWaalsContact C-N 3.3Å; C208-N210 PolarHBondContact O-N 2.77Å; C208-N210 PolarHBondContact SG-N 3.07Å; C208-N210 VanDerWaalsContact SG-N 3.39Å |
| 211 | C | 81.5 | Confident | 74.2 | Confident | 55 Ų | 55 | 77.3 Ų | 77.3 | 37% | 0.372 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.9 | 6 | -176 | 69.3 | 0 | 0 | 0 | 0 | 114.5 | C208 K213 H224 H228 | C208-C211 VanDerWaalsContact SG-SG 3.68Å; C211-K213 PolarHBondContact O-N 3.37Å; C211-H224 VanDerWaalsContact SG-CE1 3.53Å; C211-H224 PolarHBondContact SG-NE2 2.92Å; C211-H228 PolarHBondContact SG-NE2 3.28Å; C211-H228 VanDerWaalsContact SG-NE2 3.39Å |
| 212 | G | 73.6 | Confident | 75 | Confident | 53 Ų | 53 | 78.1 Ų | 78.1 | 55% | 0.546 | 45% | 0.445 | S | S | . | . | trans | 69.8 | -3.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | C208 | C208-G212 VanDerWaalsContact O-CA 3.29Å; C208-G212 WeakPolarHBondContact O-CA 3.28Å; C208-G212 PolarHBondContact O-N 3.46Å | ||
| 213 | K | 71.6 | Confident | 76.3 | Confident | 127 Ų | 127 | 77.3 Ų | 77.3 | 55% | 0.552 | 43% | 0.428 | S | S | * | . | trans | -63.6 | 136.3 | -179.8 | -72.8 | -178.8 | -179 | 175 | 0 | 111.7 | S207 C208 C211 F215 | S207-K213 CarbonylContact C-O 3.6Å; S207-K213 WeakPolarHBondContact CA-O 3.36Å; C208-K213 PolarHBondContact N-O 2.89Å; C211-K213 PolarHBondContact O-N 3.37Å; K213-F215 HydrophobicContact CB-CE2 3.87Å; K213-F215 HydrophobicContact CB-CZ 4.03Å; K213-F215 WeakPolarHBondContact O-CE2 3.43Å | ||
| 214 | S | 74.8 | Confident | 77.4 | Confident | 66 Ų | 66 | 71.7 Ų | 71.7 | 46% | 0.462 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 136 | -175.5 | -76.3 | 0 | 0 | 0 | 0 | 112.4 | ||
| 215 | F | 75.2 | Confident | 78.9 | Confident | 42 Ų | 42 | 66.2 Ų | 66.2 | 18% | 0.184 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 140.4 | -177.8 | -59.2 | -90.1 | 0 | 0 | 0 | 111.8 | M205 F206 C208 K213 Q217 N220 L221 H224 | M205-F215 WeakPolarHBondContact CB-O 3.43Å; F206-F215 HydrophobicContact CB-CB 4.48Å; F206-F215 PolarHBondContact N-O 3.08Å; F206-F215 WeakPolarHBondContact O-CD2 3.33Å; F206-F215 PolarHBondContact O-N 3.38Å; C208-F215 HydrophobicContact CB-CE2 4.45Å; K213-F215 HydrophobicContact CB-CE2 3.87Å; K213-F215 HydrophobicContact CB-CZ 4.03Å; K213-F215 WeakPolarHBondContact O-CE2 3.43Å; F215-Q217 VanDerWaalsContact C-N 3.26Å; F215-Q217 PolarHBondContact O-N 2.9Å; F215-N220 HydrophobicContact CB-CB 4.22Å; F215-N220 HydrophobicContact CD1-CB 3.97Å; F215-N220 HydrophobicContact CG-CB 4.4Å; F215-L221 HydrophobicContact CB-CB 4.12Å; F215-L221 HydrophobicContact CD2-CB 3.89Å; F215-L221 HydrophobicContact CD2-CD1 3.64Å; F215-L221 HydrophobicContact CD2-CG 4.38Å; F215-L221 HydrophobicContact CE2-CD1 3.89Å; F215-L221 HydrophobicContact CG-CB 4.15Å; F215-H224 HydrophobicContact CE1-CB 3.75Å; F215-H224 HydrophobicContact CE2-CB 3.74Å; F215-H224 AromaticContact CE2-CD2 3.38Å; F215-H224 WeakPolarHBondContact CE2-CD2 3.34Å; F215-H224 AromaticContact CE2-CG 3.46Å; F215-H224 VanDerWaalsContact CE2-CG 3.46Å; F215-H224 AromaticContact CE2-NE2 3.98Å; F215-H224 HydrophobicContact CZ-CB 3.31Å; F215-H224 AromaticContact CZ-CD2 3.54Å; F215-H224 AromaticContact CZ-CG 3.1Å; F215-H224 AromaticContact CZ-ND1 3.44Å; F215-H224 WeakPolarHBondContact CZ-ND1 3.48Å |
| 216 | S | 70.1 | Confident | 79.8 | Confident | 39 Ų | 39 | 64.6 Ų | 64.6 | 27% | 0.273 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -72.3 | -17.9 | 180 | 60.6 | 0 | 0 | 0 | 0 | 114.4 | ||
| 217 | Q | 74.2 | Confident | 80.4 | Confident | 92 Ų | 92 | 64.2 Ų | 64.2 | 43% | 0.43 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -141 | 142.2 | -178.6 | -56.2 | -175 | 16.5 | 0 | 0 | 110.3 | F191 F206 F215 N220 L221 | F191-Q217 HydrophobicContact CZ-CG 4.35Å; F206-Q217 VanDerWaalsContact CD2-C 3.45Å; F215-Q217 VanDerWaalsContact C-N 3.26Å; F215-Q217 PolarHBondContact O-N 2.9Å; Q217-N220 WeakPolarHBondContact O-CB 3.34Å; Q217-N220 PolarHBondContact O-N 3.4Å; Q217-N220 VanDerWaalsContact O-N 3.13Å; Q217-L221 PolarHBondContact O-N 3.37Å |
| 218 | K | 79.9 | Confident | 80.9 | Confident | 133 Ų | 133 | 66 Ų | 66 | 58% | 0.578 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -55.7 | -43.8 | 179.1 | -169.9 | 174 | 179.8 | 174.5 | 0 | 113.4 | F206 N220 L221 T222 | F206-K218 HydrophobicContact CD1-CB 3.88Å; F206-K218 HydrophobicContact CD1-CG 4.07Å; F206-K218 HydrophobicContact CD2-CB 4.18Å; F206-K218 HydrophobicContact CE1-CB 3.7Å; F206-K218 HydrophobicContact CE1-CD 4.11Å; F206-K218 HydrophobicContact CE1-CG 4.03Å; F206-K218 HydrophobicContact CE2-CB 4Å; F206-K218 HydrophobicContact CG-CB 4.12Å; F206-K218 HydrophobicContact CZ-CB 3.76Å; K218-N220 PolarHBondContact O-N 2.86Å; K218-L221 PolarHBondContact O-N 3.4Å; K218-L221 VanDerWaalsContact O-N 3.13Å; K218-T222 PolarHBondContact O-N 3.04Å; K218-T222 PolarHBondContact O-OG1 3.18Å |
| 219 | P | 83.3 | Confident | 81.2 | Confident | 86 Ų | 86 | 69.7 Ų | 69.7 | 56% | 0.558 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -60.4 | -32.4 | 178.5 | -24.9 | 36.2 | 0 | 0 | 0 | 113.4 | T222 Q223 | P219-T222 PolarHBondContact O-N 3.31Å; P219-Q223 VanDerWaalsContact O-CB 3.32Å; P219-Q223 WeakPolarHBondContact O-CB 3.45Å; P219-Q223 PolarHBondContact O-N 3.18Å |
| 220 | N | 82.4 | Confident | 81.5 | Confident | 54 Ų | 54 | 68.3 Ų | 68.3 | 29% | 0.289 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -71.4 | -39.3 | 177.5 | -64.8 | -7.7 | 0 | 0 | 0 | 111.2 | F215 Q217 K218 Q223 H224 | F215-N220 HydrophobicContact CB-CB 4.22Å; F215-N220 HydrophobicContact CD1-CB 3.97Å; F215-N220 HydrophobicContact CG-CB 4.4Å; Q217-N220 WeakPolarHBondContact O-CB 3.34Å; Q217-N220 PolarHBondContact O-N 3.4Å; Q217-N220 VanDerWaalsContact O-N 3.13Å; K218-N220 PolarHBondContact O-N 2.86Å; N220-Q223 PolarHBondContact O-N 3.29Å; N220-H224 VanDerWaalsContact O-CB 3.3Å; N220-H224 WeakPolarHBondContact O-CB 3.36Å; N220-H224 PolarHBondContact O-N 3.46Å |
| 221 | L | 84.4 | Confident | 81.8 | Confident | 26 Ų | 26 | 68.5 Ų | 68.5 | 14% | 0.136 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61.8 | -49.7 | 170.6 | 173.7 | 63.5 | 0 | 0 | 0 | 110.5 | F206 C208 F215 Q217 K218 Q223 H224 M225 | F206-L221 HydrophobicContact CB-CB 3.87Å; F206-L221 HydrophobicContact CB-CD2 3.71Å; F206-L221 HydrophobicContact CB-CG 4.39Å; C208-L221 HydrophobicContact CB-CD1 3.84Å; F215-L221 HydrophobicContact CB-CB 4.12Å; F215-L221 HydrophobicContact CD2-CB 3.89Å; F215-L221 HydrophobicContact CD2-CD1 3.64Å; F215-L221 HydrophobicContact CD2-CG 4.38Å; F215-L221 HydrophobicContact CE2-CD1 3.89Å; F215-L221 HydrophobicContact CG-CB 4.15Å; Q217-L221 PolarHBondContact O-N 3.37Å; K218-L221 PolarHBondContact O-N 3.4Å; K218-L221 VanDerWaalsContact O-N 3.13Å; L221-Q223 VanDerWaalsContact C-N 3.28Å; L221-Q223 PolarHBondContact O-N 3.24Å; L221-H224 CarbonylContact O-C 3.55Å; L221-H224 WeakPolarHBondContact O-CA 3.46Å; L221-H224 WeakPolarHBondContact O-CB 3.37Å; L221-H224 PolarHBondContact O-N 3.05Å; L221-M225 HydrophobicContact CD1-CG 4.31Å; L221-M225 HydrophobicContact CD1-SD 3.98Å; L221-M225 HydrophobicContact CG-CG 4.42Å; L221-M225 WeakPolarHBondContact O-CG 3.32Å; L221-M225 PolarHBondContact O-N 3.47Å |
| 222 | T | 85.8 | Confident | 82.2 | Confident | 85 Ų | 85 | 68.8 Ų | 68.8 | 52% | 0.521 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -56.7 | -43.9 | 178.7 | -57.6 | 0 | 0 | 0 | 0 | 111.4 | K218 P219 M225 | K218-T222 PolarHBondContact O-N 3.04Å; K218-T222 PolarHBondContact O-OG1 3.18Å; P219-T222 PolarHBondContact O-N 3.31Å; T222-M225 PolarHBondContact O-N 3.46Å |
| 223 | Q | 85.7 | Confident | 82.9 | Confident | 95 Ų | 95 | 69.8 Ų | 69.8 | 44% | 0.444 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.7 | -41.4 | 174 | 179.2 | 174.1 | 74.5 | 0 | 0 | 111.7 | P219 N220 L221 M225 T226 H245 | P219-Q223 VanDerWaalsContact O-CB 3.32Å; P219-Q223 WeakPolarHBondContact O-CB 3.45Å; P219-Q223 PolarHBondContact O-N 3.18Å; N220-Q223 PolarHBondContact O-N 3.29Å; L221-Q223 VanDerWaalsContact C-N 3.28Å; L221-Q223 PolarHBondContact O-N 3.24Å; Q223-M225 VanDerWaalsContact C-N 3.3Å; Q223-M225 PolarHBondContact O-N 3.37Å; Q223-T226 WeakPolarHBondContact O-CB 3.37Å; Q223-T226 PolarHBondContact O-N 3.46Å; Q223-T226 PolarHBondContact O-OG1 3.13Å; Q223-H245 VanDerWaalsContact CD-ND1 3.3Å; Q223-H245 VanDerWaalsContact CG-CE1 3.47Å; Q223-H245 WeakPolarHBondContact CG-CE1 3.47Å; Q223-H245 PolarHBondContact NE2-CE1 3.07Å; Q223-H245 PolarHBondContact NE2-ND1 2.88Å |
| 224 | H | 86.3 | Confident | 83.9 | Confident | 14 Ų | 14 | 67.1 Ų | 67.1 | 7% | 0.065 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.4 | -35.8 | 175.4 | 166.8 | 76.8 | 0 | 0 | 0 | 112.6 | C208 C211 F215 N220 L221 T226 I227 H228 | C208-H224 WeakPolarHBondContact CB-NE2 3.32Å; C208-H224 PolarHBondContact SG-NE2 3.01Å; C208-H224 VanDerWaalsContact SG-NE2 3.42Å; C211-H224 VanDerWaalsContact SG-CE1 3.53Å; C211-H224 PolarHBondContact SG-NE2 2.92Å; F215-H224 HydrophobicContact CE1-CB 3.75Å; F215-H224 HydrophobicContact CE2-CB 3.74Å; F215-H224 AromaticContact CE2-CD2 3.38Å; F215-H224 WeakPolarHBondContact CE2-CD2 3.34Å; F215-H224 AromaticContact CE2-CG 3.46Å; F215-H224 VanDerWaalsContact CE2-CG 3.46Å; F215-H224 AromaticContact CE2-NE2 3.98Å; F215-H224 HydrophobicContact CZ-CB 3.31Å; F215-H224 AromaticContact CZ-CD2 3.54Å; F215-H224 AromaticContact CZ-CG 3.1Å; F215-H224 AromaticContact CZ-ND1 3.44Å; F215-H224 WeakPolarHBondContact CZ-ND1 3.48Å; N220-H224 VanDerWaalsContact O-CB 3.3Å; N220-H224 WeakPolarHBondContact O-CB 3.36Å; N220-H224 PolarHBondContact O-N 3.46Å; L221-H224 CarbonylContact O-C 3.55Å; L221-H224 WeakPolarHBondContact O-CA 3.46Å; L221-H224 WeakPolarHBondContact O-CB 3.37Å; L221-H224 PolarHBondContact O-N 3.05Å; H224-T226 PolarHBondContact O-N 3.29Å; H224-T226 VanDerWaalsContact O-N 3.07Å; H224-I227 VanDerWaalsContact ND1-CD1 3.31Å; H224-I227 WeakPolarHBondContact ND1-CD1 3.43Å; H224-I227 VanDerWaalsContact O-CB 3.23Å; H224-I227 WeakPolarHBondContact O-CB 3.39Å; H224-I227 WeakPolarHBondContact O-CG1 3.46Å; H224-I227 PolarHBondContact O-N 3.07Å; H224-H228 AromaticContact CE1-NE2 3.81Å; H224-H228 AromaticContact NE2-CD2 3.84Å; H224-H228 AromaticContact NE2-NE2 3.36Å; H224-H228 PolarHBondContact NE2-NE2 2.95Å |
| 225 | M | 86.4 | Confident | 84.9 | Confident | 56 Ų | 56 | 68.3 Ų | 68.3 | 28% | 0.276 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -58.3 | -25.1 | 178.5 | -66.8 | -51.3 | -65.7 | 0 | 0 | 113 | C208 L221 T222 Q223 I227 H228 T229 | C208-M225 HydrophobicContact CB-SD 4.35Å; C208-M225 VanDerWaalsContact SG-SD 3.61Å; L221-M225 HydrophobicContact CD1-CG 4.31Å; L221-M225 HydrophobicContact CD1-SD 3.98Å; L221-M225 HydrophobicContact CG-CG 4.42Å; L221-M225 WeakPolarHBondContact O-CG 3.32Å; L221-M225 PolarHBondContact O-N 3.47Å; T222-M225 PolarHBondContact O-N 3.46Å; Q223-M225 VanDerWaalsContact C-N 3.3Å; Q223-M225 PolarHBondContact O-N 3.37Å; M225-I227 PolarHBondContact O-N 3.16Å; M225-I227 VanDerWaalsContact O-N 3.1Å; M225-H228 PolarHBondContact O-N 3.33Å; M225-T229 PolarHBondContact O-N 2.77Å; M225-T229 PolarHBondContact O-OG1 3.36Å |
| 226 | T | 87.4 | Confident | 85.8 | Confident | 17 Ų | 17 | 66.3 Ų | 66.3 | 10% | 0.104 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -11.9 | 173.1 | 69.4 | 0 | 0 | 0 | 0 | 114 | Q223 H224 T229 G230 E231 R244 | Q223-T226 WeakPolarHBondContact O-CB 3.37Å; Q223-T226 PolarHBondContact O-N 3.46Å; Q223-T226 PolarHBondContact O-OG1 3.13Å; H224-T226 PolarHBondContact O-N 3.29Å; H224-T226 VanDerWaalsContact O-N 3.07Å; T226-T229 WeakPolarHBondContact CA-OG1 3.31Å; T226-G230 PolarHBondContact O-N 3.35Å; T226-E231 HydrophobicContact CG2-CB 4.47Å; T226-R244 PolarHBondContact O-NE 3.47Å; T226-R244 PolarHBondContact O-NH2 3.33Å; T226-R244 WeakPolarHBondContact OG1-CD 3.44Å; T226-R244 WeakPolarHBondContact OG1-CG 3.47Å; T226-R244 PolarHBondContact OG1-NE 2.91Å |
| 227 | I | 87.4 | Confident | 86.9 | Confident | 83 Ų | 83 | 70.6 Ų | 70.6 | 43% | 0.426 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -44.6 | 166.5 | -67.9 | 155.7 | 0 | 0 | 0 | 111 | H224 M225 R244 | H224-I227 VanDerWaalsContact ND1-CD1 3.31Å; H224-I227 WeakPolarHBondContact ND1-CD1 3.43Å; H224-I227 VanDerWaalsContact O-CB 3.23Å; H224-I227 WeakPolarHBondContact O-CB 3.39Å; H224-I227 WeakPolarHBondContact O-CG1 3.46Å; H224-I227 PolarHBondContact O-N 3.07Å; M225-I227 PolarHBondContact O-N 3.16Å; M225-I227 VanDerWaalsContact O-N 3.1Å; I227-R244 VanDerWaalsContact CA-NH2 3.34Å; I227-R244 VanDerWaalsContact CG1-CZ 3.49Å |
| 228 | H | 87.8 | Confident | 87.8 | Confident | 73 Ų | 73 | 71.2 Ų | 71.2 | 34% | 0.338 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -36.7 | -176 | -63.2 | -60.7 | 0 | 0 | 0 | 112.4 | C208 C211 H224 M225 G230 | C208-H228 PolarHBondContact SG-CD2 3.36Å; C208-H228 PolarHBondContact SG-NE2 2.87Å; C208-H228 VanDerWaalsContact SG-NE2 3.35Å; C211-H228 PolarHBondContact SG-NE2 3.28Å; C211-H228 VanDerWaalsContact SG-NE2 3.39Å; H224-H228 AromaticContact CE1-NE2 3.81Å; H224-H228 AromaticContact NE2-CD2 3.84Å; H224-H228 AromaticContact NE2-NE2 3.36Å; H224-H228 PolarHBondContact NE2-NE2 2.95Å; M225-H228 PolarHBondContact O-N 3.33Å; H228-G230 VanDerWaalsContact C-N 3.29Å; H228-G230 PolarHBondContact O-N 3.44Å |
| 229 | T | 86.4 | Confident | 88.4 | Confident | 80 Ų | 80 | 67.6 Ų | 67.6 | 49% | 0.491 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -79.6 | -12.4 | 178.6 | 62.5 | 0 | 0 | 0 | 0 | 113.3 | M225 T226 E231 | M225-T229 PolarHBondContact O-N 2.77Å; M225-T229 PolarHBondContact O-OG1 3.36Å; T226-T229 WeakPolarHBondContact CA-OG1 3.31Å; T229-E231 PolarHBondContact O-N 3.3Å; T229-E231 VanDerWaalsContact O-N 3.12Å; T229-E231 WeakPolarHBondContact OG1-CG 3.33Å; T229-E231 PolarHBondContact OG1-N 3.1Å |
| 230 | G | 85.9 | Confident | 88.9 | Confident | 46 Ų | 46 | 65.7 Ų | 65.7 | 47% | 0.474 | 38% | 0.375 | S | S | . | . | trans | 67 | 6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | T226 H228 M232 | T226-G230 PolarHBondContact O-N 3.35Å; H228-G230 VanDerWaalsContact C-N 3.29Å; H228-G230 PolarHBondContact O-N 3.44Å; G230-M232 WeakPolarHBondContact O-CG 3.29Å; G230-M232 PolarHBondContact O-N 2.81Å | ||
| 231 | E | 87.9 | Confident | 89.3 | Confident | 116 Ų | 116 | 69.2 Ų | 69.2 | 54% | 0.542 | 39% | 0.388 | S | S | . | . | trans | -62.5 | 126.7 | -180 | -75.1 | -179.7 | 179.2 | 0 | 0 | 111.2 | T226 T229 | T226-E231 HydrophobicContact CG2-CB 4.47Å; T229-E231 PolarHBondContact O-N 3.3Å; T229-E231 VanDerWaalsContact O-N 3.12Å; T229-E231 WeakPolarHBondContact OG1-CG 3.33Å; T229-E231 PolarHBondContact OG1-N 3.1Å | ||
| 232 | M | 89.2 | Confident | 89.7 | Confident | 62 Ų | 62 | 75.3 Ų | 75.3 | 31% | 0.305 | 41% | 0.409 | S | S | . | . | trans | -125.6 | 82.1 | 177.2 | -62.9 | -71.1 | -108.6 | 0 | 0 | 108.4 | G230 F234 R242 F243 R244 | G230-M232 WeakPolarHBondContact O-CG 3.29Å; G230-M232 PolarHBondContact O-N 2.81Å; M232-F234 PolarHBondContact O-N 3.01Å; M232-R242 HydrophobicContact CB-CB 3.47Å; M232-R242 VanDerWaalsContact CB-CB 3.47Å; M232-R242 HydrophobicContact CG-CB 4.4Å; M232-R242 PolarHBondContact O-NE 3.4Å; M232-R242 PolarHBondContact O-NH2 3.32Å; M232-R242 VanDerWaalsContact O-NH2 3.13Å; M232-F243 CarbonylContact C-O 3.49Å; M232-F243 VanDerWaalsContact C-O 3.31Å; M232-F243 WeakPolarHBondContact CA-O 3.45Å; M232-F243 VanDerWaalsContact SD-C 3.59Å; M232-R244 VanDerWaalsContact SD-CA 3.59Å; M232-R244 HydrophobicContact SD-CB 3.57Å; M232-R244 VanDerWaalsContact SD-CB 3.57Å; M232-R244 PolarHBondContact SD-N 2.96Å | ||
| 233 | P | 88.4 | Confident | 90 | Very high | 73 Ų | 73 | 73 Ų | 73 | 47% | 0.474 | 39% | 0.392 | S | S | . | . | trans | -65.7 | -21.4 | -169.4 | -23.3 | 34.7 | 0 | 0 | 0 | 114.2 | ||||
| 234 | F | 93 | Very high | 90.1 | Very high | 72 Ų | 72 | 71.6 Ų | 71.6 | 32% | 0.316 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 109.3 | -169.9 | -56.9 | -77.5 | 0 | 0 | 0 | 111 | M232 R242 F243 R244 H245 K246 L249 | M232-F234 PolarHBondContact O-N 3.01Å; F234-R242 CarbonylContact O-C 3.5Å; F234-R242 VanDerWaalsContact O-CA 3.32Å; F234-R242 WeakPolarHBondContact O-CA 3.35Å; F234-F243 HydrophobicContact CB-CB 4.24Å; F234-F243 WeakPolarHBondContact CB-O 3.26Å; F234-F243 WeakPolarHBondContact CD2-O 3.43Å; F234-F243 PolarHBondContact N-O 3.2Å; F234-F243 VanDerWaalsContact N-O 3.1Å; F234-F243 PolarHBondContact O-N 3.34Å; F234-R244 WeakPolarHBondContact CD2-O 3.31Å; F234-R244 VanDerWaalsContact CE2-O 3.25Å; F234-R244 WeakPolarHBondContact CE2-O 3.48Å; F234-H245 VanDerWaalsContact CD2-C 3.45Å; F234-K246 HydrophobicContact CD1-CB 4.03Å; F234-K246 HydrophobicContact CD1-CG 4.41Å; F234-K246 HydrophobicContact CE1-CB 3.75Å; F234-K246 HydrophobicContact CE1-CG 4.29Å; F234-K246 HydrophobicContact CE2-CB 4.46Å; F234-K246 HydrophobicContact CZ-CB 3.98Å; F234-L249 HydrophobicContact CB-CB 4.13Å; F234-L249 HydrophobicContact CB-CD2 3.91Å |
| 235 | L | 94.6 | Very high | 90.1 | Very high | 90 Ų | 90 | 73.8 Ų | 73.8 | 47% | 0.471 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 134.7 | -179.8 | 179.9 | 68.7 | 0 | 0 | 0 | 111.7 | G240 R242 L249 | L235-G240 WeakPolarHBondContact CD1-O 3.36Å; L235-R242 HydrophobicContact CD1-CG 3.85Å; L235-L249 WeakPolarHBondContact O-CD2 3.49Å |
| 236 | C | 95.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 41% | 0.409 | C | S | . | . | trans | -82.9 | 117.5 | 163.9 | 178.5 | 0 | 0 | 0 | 0 | 109.9 | N238 G240 K241 F243 L249 H252 M253 H256 | C236-N238 VanDerWaalsContact C-N 3.29Å; C236-N238 PolarHBondContact O-N 3.3Å; C236-G240 VanDerWaalsContact O-CA 3.25Å; C236-G240 WeakPolarHBondContact O-CA 3.47Å; C236-G240 PolarHBondContact O-N 3.41Å; C236-K241 HydrophobicContact CB-CB 4.48Å; C236-K241 VanDerWaalsContact CB-O 3.29Å; C236-K241 WeakPolarHBondContact CB-O 3.46Å; C236-K241 PolarHBondContact N-O 3.32Å; C236-F243 HydrophobicContact CB-CE2 4.06Å; C236-L249 HydrophobicContact CB-CD1 3.72Å; C236-H252 VanDerWaalsContact SG-CD2 3.59Å; C236-H252 PolarHBondContact SG-NE2 3.32Å; C236-M253 HydrophobicContact CB-SD 4.48Å; C236-M253 VanDerWaalsContact SG-SD 3.62Å; C236-H256 PolarHBondContact SG-NE2 2.88Å; C236-H256 VanDerWaalsContact SG-NE2 3.4Å | ||
| 237 | V | 92.8 | Very high | 90.4 | Very high | 130 Ų | 130 | 82.6 Ų | 82.6 | 79% | 0.788 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -29.6 | -178.9 | -177.4 | 0 | 0 | 0 | 0 | 111.8 | ||
| 238 | N | 92.4 | Very high | 90.7 | Very high | 105 Ų | 105 | 80.9 Ų | 80.9 | 56% | 0.561 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -27.8 | -175.5 | -66.3 | 60.6 | 0 | 0 | 0 | 114.2 | C236 M253 H256 | C236-N238 VanDerWaalsContact C-N 3.29Å; C236-N238 PolarHBondContact O-N 3.3Å; N238-M253 WeakPolarHBondContact OD1-CE 3.49Å; N238-H256 HydrophobicContact CB-CB 4.46Å |
| 239 | C | 94.4 | Very high | 91 | Very high | 56 Ų | 56 | 78.7 Ų | 78.7 | 38% | 0.378 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.1 | 7.6 | -177.4 | 67.8 | 0 | 0 | 0 | 0 | 115 | K241 H252 H256 | C239-K241 PolarHBondContact O-N 3.18Å; C239-H252 PolarHBondContact SG-NE2 2.81Å; C239-H256 PolarHBondContact SG-NE2 3.38Å; C239-H256 VanDerWaalsContact SG-NE2 3.37Å |
| 240 | G | 91.9 | Very high | 91.3 | Very high | 46 Ų | 46 | 78.5 Ų | 78.5 | 47% | 0.474 | 42% | 0.422 | S | S | . | . | trans | 70.4 | -2.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L235 C236 | L235-G240 WeakPolarHBondContact CD1-O 3.36Å; C236-G240 VanDerWaalsContact O-CA 3.25Å; C236-G240 WeakPolarHBondContact O-CA 3.47Å; C236-G240 PolarHBondContact O-N 3.41Å | ||
| 241 | K | 92.6 | Very high | 91.6 | Very high | 129 Ų | 129 | 78.8 Ų | 78.8 | 56% | 0.561 | 41% | 0.413 | S | S | * | . | trans | -67.1 | 137.4 | -179.3 | -71.4 | -174.5 | -179.9 | -174.1 | 0 | 111.4 | C236 C239 F243 | C236-K241 HydrophobicContact CB-CB 4.48Å; C236-K241 VanDerWaalsContact CB-O 3.29Å; C236-K241 WeakPolarHBondContact CB-O 3.46Å; C236-K241 PolarHBondContact N-O 3.32Å; C239-K241 PolarHBondContact O-N 3.18Å; K241-F243 HydrophobicContact CB-CE2 3.94Å; K241-F243 HydrophobicContact CB-CZ 4.1Å; K241-F243 WeakPolarHBondContact O-CE2 3.44Å | ||
| 242 | R | 92.6 | Very high | 91.9 | Very high | 153 Ų | 153 | 74.1 Ų | 74.1 | 58% | 0.577 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 149.2 | -179.9 | -54.8 | -175.3 | 71.5 | 149.3 | 3 | 111.5 | M232 F234 L235 | M232-R242 HydrophobicContact CB-CB 3.47Å; M232-R242 VanDerWaalsContact CB-CB 3.47Å; M232-R242 HydrophobicContact CG-CB 4.4Å; M232-R242 PolarHBondContact O-NE 3.4Å; M232-R242 PolarHBondContact O-NH2 3.32Å; M232-R242 VanDerWaalsContact O-NH2 3.13Å; F234-R242 CarbonylContact O-C 3.5Å; F234-R242 VanDerWaalsContact O-CA 3.32Å; F234-R242 WeakPolarHBondContact O-CA 3.35Å; L235-R242 HydrophobicContact CD1-CG 3.85Å |
| 243 | F | 90.9 | Very high | 92.2 | Very high | 36 Ų | 36 | 73.7 Ų | 73.7 | 16% | 0.158 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 149.5 | -177.4 | -60.8 | -89.4 | 0 | 0 | 0 | 111.2 | M232 F234 C236 K241 L249 H252 | M232-F243 CarbonylContact C-O 3.49Å; M232-F243 VanDerWaalsContact C-O 3.31Å; M232-F243 WeakPolarHBondContact CA-O 3.45Å; M232-F243 VanDerWaalsContact SD-C 3.59Å; F234-F243 HydrophobicContact CB-CB 4.24Å; F234-F243 WeakPolarHBondContact CB-O 3.26Å; F234-F243 WeakPolarHBondContact CD2-O 3.43Å; F234-F243 PolarHBondContact N-O 3.2Å; F234-F243 VanDerWaalsContact N-O 3.1Å; F234-F243 PolarHBondContact O-N 3.34Å; C236-F243 HydrophobicContact CB-CE2 4.06Å; K241-F243 HydrophobicContact CB-CE2 3.94Å; K241-F243 HydrophobicContact CB-CZ 4.1Å; K241-F243 WeakPolarHBondContact O-CE2 3.44Å; F243-L249 HydrophobicContact CB-CB 4.21Å; F243-L249 HydrophobicContact CD2-CB 3.93Å; F243-L249 HydrophobicContact CD2-CD1 3.72Å; F243-L249 HydrophobicContact CD2-CG 4.42Å; F243-L249 HydrophobicContact CE2-CD1 3.91Å; F243-L249 HydrophobicContact CG-CB 4.15Å; F243-H252 HydrophobicContact CE1-CB 3.7Å; F243-H252 AromaticContact CE1-CG 3.91Å; F243-H252 HydrophobicContact CE2-CB 3.96Å; F243-H252 AromaticContact CE2-CD2 3.43Å; F243-H252 VanDerWaalsContact CE2-CD2 3.43Å; F243-H252 WeakPolarHBondContact CE2-CD2 3.38Å; F243-H252 AromaticContact CE2-CG 3.64Å; F243-H252 AromaticContact CE2-NE2 4Å; F243-H252 HydrophobicContact CZ-CB 3.38Å; F243-H252 AromaticContact CZ-CD2 3.39Å; F243-H252 WeakPolarHBondContact CZ-CD2 3.33Å; F243-H252 AromaticContact CZ-CE1 3.96Å; F243-H252 AromaticContact CZ-CG 3.11Å; F243-H252 AromaticContact CZ-ND1 3.5Å; F243-H252 AromaticContact CZ-NE2 3.89Å |
| 244 | R | 88.1 | Confident | 92.5 | Very high | 66 Ų | 66 | 73.3 Ų | 73.3 | 25% | 0.249 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -75.8 | -34.1 | 178 | -175.5 | 168.3 | -74.4 | 138.1 | 8.4 | 113 | T226 I227 M232 F234 | T226-R244 PolarHBondContact O-NE 3.47Å; T226-R244 PolarHBondContact O-NH2 3.33Å; T226-R244 WeakPolarHBondContact OG1-CD 3.44Å; T226-R244 WeakPolarHBondContact OG1-CG 3.47Å; T226-R244 PolarHBondContact OG1-NE 2.91Å; I227-R244 VanDerWaalsContact CA-NH2 3.34Å; I227-R244 VanDerWaalsContact CG1-CZ 3.49Å; M232-R244 VanDerWaalsContact SD-CA 3.59Å; M232-R244 HydrophobicContact SD-CB 3.57Å; M232-R244 VanDerWaalsContact SD-CB 3.57Å; M232-R244 PolarHBondContact SD-N 2.96Å; F234-R244 WeakPolarHBondContact CD2-O 3.31Å; F234-R244 VanDerWaalsContact CE2-O 3.25Å; F234-R244 WeakPolarHBondContact CE2-O 3.48Å |
| 245 | H | 87.4 | Confident | 92.5 | Very high | 60 Ų | 60 | 75.8 Ų | 75.8 | 28% | 0.278 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -124.8 | 142.5 | -175.6 | -50.1 | -82.8 | 0 | 0 | 0 | 110.6 | Q223 F234 V247 S248 L249 | Q223-H245 VanDerWaalsContact CD-ND1 3.3Å; Q223-H245 VanDerWaalsContact CG-CE1 3.47Å; Q223-H245 WeakPolarHBondContact CG-CE1 3.47Å; Q223-H245 PolarHBondContact NE2-CE1 3.07Å; Q223-H245 PolarHBondContact NE2-ND1 2.88Å; F234-H245 VanDerWaalsContact CD2-C 3.45Å; H245-V247 VanDerWaalsContact C-N 3.26Å; H245-V247 PolarHBondContact O-N 3.22Å; H245-S248 WeakPolarHBondContact O-CB 3.25Å; H245-S248 PolarHBondContact O-N 3.45Å; H245-S248 VanDerWaalsContact O-N 3.08Å; H245-L249 PolarHBondContact O-N 3.14Å |
| 246 | K | 89.6 | Confident | 92.4 | Very high | 144 Ų | 144 | 74.9 Ų | 74.9 | 63% | 0.626 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -56 | -41.1 | 175.3 | -171.7 | 176.1 | -179.7 | 178.2 | 0 | 112.2 | F234 S248 L249 T250 | F234-K246 HydrophobicContact CD1-CB 4.03Å; F234-K246 HydrophobicContact CD1-CG 4.41Å; F234-K246 HydrophobicContact CE1-CB 3.75Å; F234-K246 HydrophobicContact CE1-CG 4.29Å; F234-K246 HydrophobicContact CE2-CB 4.46Å; F234-K246 HydrophobicContact CZ-CB 3.98Å; K246-S248 VanDerWaalsContact C-N 3.29Å; K246-S248 PolarHBondContact O-N 3.3Å; K246-L249 WeakPolarHBondContact O-CB 2.97Å; K246-L249 PolarHBondContact O-N 2.76Å; K246-T250 PolarHBondContact O-N 3.46Å; K246-T250 PolarHBondContact O-OG1 3.44Å; K246-T250 VanDerWaalsContact O-OG1 3.14Å |
| 247 | V | 89.6 | Confident | 92.3 | Very high | 114 Ų | 114 | 78.8 Ų | 78.8 | 69% | 0.691 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -61.1 | -39 | 178.5 | 180 | 0 | 0 | 0 | 0 | 111.4 | H245 T250 L251 | H245-V247 VanDerWaalsContact C-N 3.26Å; H245-V247 PolarHBondContact O-N 3.22Å; V247-T250 PolarHBondContact O-N 3.47Å; V247-L251 WeakPolarHBondContact O-CB 3.49Å; V247-L251 PolarHBondContact O-N 3.1Å |
| 248 | S | 93 | Very high | 92.3 | Very high | 47 Ų | 47 | 74.8 Ų | 74.8 | 33% | 0.329 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.9 | -41.7 | 176.3 | -52.7 | 0 | 0 | 0 | 0 | 111.5 | H245 K246 L251 H252 | H245-S248 WeakPolarHBondContact O-CB 3.25Å; H245-S248 PolarHBondContact O-N 3.45Å; H245-S248 VanDerWaalsContact O-N 3.08Å; K246-S248 VanDerWaalsContact C-N 3.29Å; K246-S248 PolarHBondContact O-N 3.3Å; S248-L251 PolarHBondContact O-N 3.49Å; S248-H252 VanDerWaalsContact O-CB 3.31Å; S248-H252 WeakPolarHBondContact O-CB 3.42Å; S248-H252 PolarHBondContact O-N 2.86Å |
| 249 | L | 94.1 | Very high | 92.4 | Very high | 28 Ų | 28 | 75 Ų | 75 | 15% | 0.147 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -61.5 | -50.4 | 172.7 | 172.9 | 61.8 | 0 | 0 | 0 | 110.9 | F234 L235 C236 F243 H245 K246 L251 H252 M253 | F234-L249 HydrophobicContact CB-CB 4.13Å; F234-L249 HydrophobicContact CB-CD2 3.91Å; L235-L249 WeakPolarHBondContact O-CD2 3.49Å; C236-L249 HydrophobicContact CB-CD1 3.72Å; F243-L249 HydrophobicContact CB-CB 4.21Å; F243-L249 HydrophobicContact CD2-CB 3.93Å; F243-L249 HydrophobicContact CD2-CD1 3.72Å; F243-L249 HydrophobicContact CD2-CG 4.42Å; F243-L249 HydrophobicContact CE2-CD1 3.91Å; F243-L249 HydrophobicContact CG-CB 4.15Å; H245-L249 PolarHBondContact O-N 3.14Å; K246-L249 WeakPolarHBondContact O-CB 2.97Å; K246-L249 PolarHBondContact O-N 2.76Å; L249-L251 VanDerWaalsContact C-N 3.27Å; L249-L251 PolarHBondContact O-N 3.08Å; L249-H252 CarbonylContact O-C 3.16Å; L249-H252 WeakPolarHBondContact O-CA 3.32Å; L249-H252 WeakPolarHBondContact O-CB 3.45Å; L249-H252 PolarHBondContact O-N 3.41Å; L249-M253 HydrophobicContact CD1-CG 4.22Å; L249-M253 HydrophobicContact CD1-SD 4Å; L249-M253 HydrophobicContact CG-CG 4.45Å; L249-M253 WeakPolarHBondContact O-CG 3.47Å; L249-M253 PolarHBondContact O-N 2.98Å |
| 250 | T | 92.9 | Very high | 92.4 | Very high | 76 Ų | 76 | 77.6 Ų | 77.6 | 47% | 0.466 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -56.2 | -42.7 | 178.6 | -59 | 0 | 0 | 0 | 0 | 112 | K246 V247 M253 | K246-T250 PolarHBondContact O-N 3.46Å; K246-T250 PolarHBondContact O-OG1 3.44Å; K246-T250 VanDerWaalsContact O-OG1 3.14Å; V247-T250 PolarHBondContact O-N 3.47Å; T250-M253 PolarHBondContact O-N 3.19Å |
| 251 | L | 93.4 | Very high | 92.4 | Very high | 52 Ų | 52 | 78.5 Ų | 78.5 | 27% | 0.272 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -66.1 | -41.6 | 176 | 173.1 | 57.8 | 0 | 0 | 0 | 112 | V247 S248 L249 M253 R254 Q273 | V247-L251 WeakPolarHBondContact O-CB 3.49Å; V247-L251 PolarHBondContact O-N 3.1Å; S248-L251 PolarHBondContact O-N 3.49Å; L249-L251 VanDerWaalsContact C-N 3.27Å; L249-L251 PolarHBondContact O-N 3.08Å; L251-M253 VanDerWaalsContact C-N 3.31Å; L251-M253 PolarHBondContact O-N 2.78Å; L251-R254 WeakPolarHBondContact O-CB 3.47Å; L251-R254 PolarHBondContact O-N 3.05Å; L251-Q273 HydrophobicContact CD1-CG 3.34Å; L251-Q273 HydrophobicContact CD2-CG 4.16Å; L251-Q273 HydrophobicContact CG-CG 4.31Å |
| 252 | H | 94.2 | Very high | 92.6 | Very high | 18 Ų | 18 | 75.2 Ų | 75.2 | 8% | 0.083 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.5 | -38.3 | 175.5 | 167.6 | 75 | 0 | 0 | 0 | 112.4 | C236 C239 F243 S248 L249 R254 I255 H256 | C236-H252 VanDerWaalsContact SG-CD2 3.59Å; C236-H252 PolarHBondContact SG-NE2 3.32Å; C239-H252 PolarHBondContact SG-NE2 2.81Å; F243-H252 HydrophobicContact CE1-CB 3.7Å; F243-H252 AromaticContact CE1-CG 3.91Å; F243-H252 HydrophobicContact CE2-CB 3.96Å; F243-H252 AromaticContact CE2-CD2 3.43Å; F243-H252 VanDerWaalsContact CE2-CD2 3.43Å; F243-H252 WeakPolarHBondContact CE2-CD2 3.38Å; F243-H252 AromaticContact CE2-CG 3.64Å; F243-H252 AromaticContact CE2-NE2 4Å; F243-H252 HydrophobicContact CZ-CB 3.38Å; F243-H252 AromaticContact CZ-CD2 3.39Å; F243-H252 WeakPolarHBondContact CZ-CD2 3.33Å; F243-H252 AromaticContact CZ-CE1 3.96Å; F243-H252 AromaticContact CZ-CG 3.11Å; F243-H252 AromaticContact CZ-ND1 3.5Å; F243-H252 AromaticContact CZ-NE2 3.89Å; S248-H252 VanDerWaalsContact O-CB 3.31Å; S248-H252 WeakPolarHBondContact O-CB 3.42Å; S248-H252 PolarHBondContact O-N 2.86Å; L249-H252 CarbonylContact O-C 3.16Å; L249-H252 WeakPolarHBondContact O-CA 3.32Å; L249-H252 WeakPolarHBondContact O-CB 3.45Å; L249-H252 PolarHBondContact O-N 3.41Å; H252-R254 PolarHBondContact O-N 3.14Å; H252-I255 VanDerWaalsContact O-CB 3.29Å; H252-I255 WeakPolarHBondContact O-CB 3.2Å; H252-I255 WeakPolarHBondContact O-CG1 3.3Å; H252-I255 PolarHBondContact O-N 3.36Å; H252-H256 AromaticContact CE1-NE2 3.81Å; H252-H256 AromaticContact NE2-CD2 3.85Å; H252-H256 AromaticContact NE2-NE2 3.29Å; H252-H256 PolarHBondContact NE2-NE2 2.86Å |
| 253 | M | 94.3 | Very high | 92.8 | Very high | 53 Ų | 53 | 72.2 Ų | 72.2 | 26% | 0.261 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -56.4 | -25.9 | 178 | -67.8 | -52.2 | -65.9 | 0 | 0 | 112.9 | C236 N238 L249 T250 L251 I255 H256 T257 | C236-M253 HydrophobicContact CB-SD 4.48Å; C236-M253 VanDerWaalsContact SG-SD 3.62Å; N238-M253 WeakPolarHBondContact OD1-CE 3.49Å; L249-M253 HydrophobicContact CD1-CG 4.22Å; L249-M253 HydrophobicContact CD1-SD 4Å; L249-M253 HydrophobicContact CG-CG 4.45Å; L249-M253 WeakPolarHBondContact O-CG 3.47Å; L249-M253 PolarHBondContact O-N 2.98Å; T250-M253 PolarHBondContact O-N 3.19Å; L251-M253 VanDerWaalsContact C-N 3.31Å; L251-M253 PolarHBondContact O-N 2.78Å; M253-I255 PolarHBondContact O-N 3.13Å; M253-I255 VanDerWaalsContact O-N 3.16Å; M253-H256 PolarHBondContact O-N 3.22Å; M253-T257 PolarHBondContact O-N 2.98Å; M253-T257 PolarHBondContact O-OG1 3.32Å |
| 254 | R | 94.6 | Very high | 93 | Very high | 65 Ų | 65 | 70.5 Ų | 70.5 | 25% | 0.245 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62 | -20.5 | 174.5 | -60.5 | -173.8 | -179.1 | 153.5 | 4.1 | 113.9 | L251 H252 H256 T257 G258 E259 S272 | L251-R254 WeakPolarHBondContact O-CB 3.47Å; L251-R254 PolarHBondContact O-N 3.05Å; H252-R254 PolarHBondContact O-N 3.14Å; R254-H256 VanDerWaalsContact C-N 3.34Å; R254-T257 WeakPolarHBondContact CA-OG1 3.29Å; R254-G258 WeakPolarHBondContact O-CA 3.25Å; R254-G258 PolarHBondContact O-N 3.36Å; R254-E259 HydrophobicContact CB-CB 4.37Å; R254-E259 HydrophobicContact CG-CB 4.2Å; R254-E259 PolarHBondContact O-N 3.29Å; R254-S272 PolarHBondContact NH1-O 2.84Å |
| 255 | I | 93.4 | Very high | 93.3 | Very high | 124 Ų | 124 | 73.4 Ų | 73.4 | 64% | 0.636 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -69.2 | -37.3 | 172.9 | -60.3 | 175.6 | 0 | 0 | 0 | 110.2 | H252 M253 | H252-I255 VanDerWaalsContact O-CB 3.29Å; H252-I255 WeakPolarHBondContact O-CB 3.2Å; H252-I255 WeakPolarHBondContact O-CG1 3.3Å; H252-I255 PolarHBondContact O-N 3.36Å; M253-I255 PolarHBondContact O-N 3.13Å; M253-I255 VanDerWaalsContact O-N 3.16Å |
| 256 | H | 94 | Very high | 93.6 | Very high | 71 Ų | 71 | 74.7 Ų | 74.7 | 33% | 0.329 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -80.2 | -41.3 | 179.6 | -63.7 | -59 | 0 | 0 | 0 | 112.2 | C236 N238 C239 H252 M253 R254 G258 | C236-H256 PolarHBondContact SG-NE2 2.88Å; C236-H256 VanDerWaalsContact SG-NE2 3.4Å; N238-H256 HydrophobicContact CB-CB 4.46Å; C239-H256 PolarHBondContact SG-NE2 3.38Å; C239-H256 VanDerWaalsContact SG-NE2 3.37Å; H252-H256 AromaticContact CE1-NE2 3.81Å; H252-H256 AromaticContact NE2-CD2 3.85Å; H252-H256 AromaticContact NE2-NE2 3.29Å; H252-H256 PolarHBondContact NE2-NE2 2.86Å; M253-H256 PolarHBondContact O-N 3.22Å; R254-H256 VanDerWaalsContact C-N 3.34Å; H256-G258 VanDerWaalsContact C-N 3.32Å |
| 257 | T | 93.2 | Very high | 93.9 | Very high | 81 Ų | 81 | 70.5 Ų | 70.5 | 50% | 0.497 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -79.4 | -17 | 179.6 | 62.9 | 0 | 0 | 0 | 0 | 113.1 | M253 R254 E259 | M253-T257 PolarHBondContact O-N 2.98Å; M253-T257 PolarHBondContact O-OG1 3.32Å; R254-T257 WeakPolarHBondContact CA-OG1 3.29Å; T257-E259 PolarHBondContact O-N 3.48Å; T257-E259 WeakPolarHBondContact OG1-CG 3.28Å; T257-E259 PolarHBondContact OG1-N 3.27Å |
| 258 | G | 92.6 | Very high | 94.1 | Very high | 47 Ų | 47 | 67.4 Ų | 67.4 | 49% | 0.485 | 39% | 0.385 | S | S | . | . | trans | 72 | 6.7 | -174 | 0 | 0 | 0 | 0 | 0 | 114 | R254 H256 K260 | R254-G258 WeakPolarHBondContact O-CA 3.25Å; R254-G258 PolarHBondContact O-N 3.36Å; H256-G258 VanDerWaalsContact C-N 3.32Å; G258-K260 PolarHBondContact O-N 3.09Å | ||
| 259 | E | 93.6 | Very high | 94.2 | Very high | 110 Ų | 110 | 71.3 Ų | 71.3 | 51% | 0.514 | 40% | 0.396 | S | S | . | . | trans | -59.3 | 122.8 | -178.6 | -80.3 | -179.6 | -171.9 | 0 | 0 | 112.2 | R254 T257 | R254-E259 HydrophobicContact CB-CB 4.37Å; R254-E259 HydrophobicContact CG-CB 4.2Å; R254-E259 PolarHBondContact O-N 3.29Å; T257-E259 PolarHBondContact O-N 3.48Å; T257-E259 WeakPolarHBondContact OG1-CG 3.28Å; T257-E259 PolarHBondContact OG1-N 3.27Å | ||
| 260 | K | 94.6 | Very high | 94.3 | Very high | 110 Ų | 110 | 77 Ų | 77 | 48% | 0.478 | 42% | 0.415 | S | S | . | . | trans | -128.9 | 78.8 | 176.6 | -68.6 | 172.7 | 177.6 | -177.9 | 0 | 110.3 | G258 F262 R270 F271 | G258-K260 PolarHBondContact O-N 3.09Å; K260-F262 PolarHBondContact O-N 2.99Å; K260-R270 HydrophobicContact CB-CB 3.59Å; K260-R270 HydrophobicContact CD-CB 4.25Å; K260-R270 PolarHBondContact O-NE 3.25Å; K260-R270 PolarHBondContact O-NH2 3.01Å; K260-F271 CarbonylContact C-O 3.34Å; K260-F271 VanDerWaalsContact CA-O 3.25Å; K260-F271 WeakPolarHBondContact CA-O 3.29Å | ||
| 261 | P | 92.6 | Very high | 94.4 | Very high | 64 Ų | 64 | 75.2 Ų | 75.2 | 42% | 0.416 | 40% | 0.401 | S | S | . | . | trans | -64.7 | -25.7 | -172.3 | -22.5 | 34.4 | 0 | 0 | 0 | 113.6 | ||||
| 262 | F | 96.2 | Very high | 94.4 | Very high | 61 Ų | 61 | 74.3 Ų | 74.3 | 27% | 0.268 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 115 | -168.8 | -55.3 | -78.4 | 0 | 0 | 0 | 111.1 | K260 R270 F271 K274 L277 | K260-F262 PolarHBondContact O-N 2.99Å; F262-R270 CarbonylContact O-C 3.56Å; F262-R270 VanDerWaalsContact O-CA 3.3Å; F262-R270 WeakPolarHBondContact O-CA 3.48Å; F262-F271 HydrophobicContact CB-CB 4.32Å; F262-F271 WeakPolarHBondContact CD2-O 3.44Å; F262-F271 PolarHBondContact N-O 3.13Å; F262-F271 VanDerWaalsContact N-O 3.09Å; F262-F271 PolarHBondContact O-N 2.96Å; F262-K274 HydrophobicContact CD1-CB 3.91Å; F262-K274 HydrophobicContact CD1-CG 4.33Å; F262-K274 VanDerWaalsContact CD2-N 3.34Å; F262-K274 HydrophobicContact CE1-CB 3.67Å; F262-K274 HydrophobicContact CE1-CG 4.28Å; F262-K274 HydrophobicContact CE2-CB 4.45Å; F262-K274 VanDerWaalsContact CE2-N 3.34Å; F262-K274 HydrophobicContact CG-CB 4.4Å; F262-K274 HydrophobicContact CZ-CB 3.95Å; F262-L277 HydrophobicContact CB-CB 4.15Å; F262-L277 HydrophobicContact CB-CD2 3.87Å |
| 263 | L | 96.1 | Very high | 94.3 | Very high | 90 Ų | 90 | 76.1 Ų | 76.1 | 47% | 0.471 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 132.5 | -178.8 | 177.8 | 66.6 | 0 | 0 | 0 | 111.2 | G268 R270 L277 | L263-G268 VanDerWaalsContact CD1-O 3.25Å; L263-G268 WeakPolarHBondContact CD1-O 3.35Å; L263-R270 HydrophobicContact CD1-CG 3.82Å; L263-L277 WeakPolarHBondContact O-CD2 3.35Å |
| 264 | C | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 78.1 Ų | 78.1 | 0% | 0 | 42% | 0.415 | C | S | . | . | trans | -79.9 | 113.2 | 163 | 177.5 | 0 | 0 | 0 | 0 | 109.2 | T266 G268 K269 F271 L277 H280 M281 H284 | C264-T266 PolarHBondContact O-N 3.39Å; C264-G268 VanDerWaalsContact O-CA 3.23Å; C264-G268 WeakPolarHBondContact O-CA 3.41Å; C264-G268 PolarHBondContact O-N 2.87Å; C264-K269 HydrophobicContact CB-CB 4.44Å; C264-K269 VanDerWaalsContact CB-O 3.27Å; C264-K269 WeakPolarHBondContact CB-O 3.38Å; C264-K269 PolarHBondContact N-O 3.36Å; C264-F271 HydrophobicContact CB-CE2 4.12Å; C264-L277 HydrophobicContact CB-CD1 3.66Å; C264-H280 PolarHBondContact SG-NE2 2.78Å; C264-H280 VanDerWaalsContact SG-NE2 3.38Å; C264-M281 HydrophobicContact CB-SD 4.37Å; C264-H284 PolarHBondContact SG-NE2 3.18Å | ||
| 265 | V | 93.4 | Very high | 94.1 | Very high | 127 Ų | 127 | 82 Ų | 82 | 77% | 0.77 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -25.9 | 179.5 | -64 | 0 | 0 | 0 | 0 | 112.9 | ||
| 266 | T | 94.3 | Very high | 94.1 | Very high | 86 Ų | 86 | 79.2 Ų | 79.2 | 53% | 0.528 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -35.6 | -177.2 | -47.7 | 0 | 0 | 0 | 0 | 113.3 | C264 H284 | C264-T266 PolarHBondContact O-N 3.39Å; T266-H284 HydrophobicContact CG2-CB 4.2Å |
| 267 | C | 95.3 | Very high | 94.2 | Very high | 56 Ų | 56 | 77 Ų | 77 | 38% | 0.378 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.4 | 7.7 | -176.1 | 71.2 | 0 | 0 | 0 | 0 | 115 | K269 H280 H284 | C267-K269 PolarHBondContact O-N 3.35Å; C267-H280 PolarHBondContact SG-NE2 3.36Å; C267-H284 PolarHBondContact SG-NE2 3.47Å |
| 268 | G | 93.8 | Very high | 94.2 | Very high | 49 Ų | 49 | 76.7 Ų | 76.7 | 51% | 0.505 | 41% | 0.411 | S | S | . | . | trans | 71.1 | -3.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | L263 C264 | L263-G268 VanDerWaalsContact CD1-O 3.25Å; L263-G268 WeakPolarHBondContact CD1-O 3.35Å; C264-G268 VanDerWaalsContact O-CA 3.23Å; C264-G268 WeakPolarHBondContact O-CA 3.41Å; C264-G268 PolarHBondContact O-N 2.87Å | ||
| 269 | K | 95.8 | Very high | 94.3 | Very high | 130 Ų | 130 | 76.8 Ų | 76.8 | 57% | 0.565 | 40% | 0.4 | S | S | * | . | trans | -66.3 | 135.8 | -179.2 | -74.6 | -176.6 | -178.4 | 178.7 | 0 | 111.4 | C264 C267 F271 | C264-K269 HydrophobicContact CB-CB 4.44Å; C264-K269 VanDerWaalsContact CB-O 3.27Å; C264-K269 WeakPolarHBondContact CB-O 3.38Å; C264-K269 PolarHBondContact N-O 3.36Å; C267-K269 PolarHBondContact O-N 3.35Å; K269-F271 HydrophobicContact CB-CE2 3.94Å; K269-F271 HydrophobicContact CB-CZ 4.12Å; K269-F271 WeakPolarHBondContact O-CE2 3.47Å | ||
| 270 | R | 95.8 | Very high | 94.4 | Very high | 146 Ų | 146 | 72.5 Ų | 72.5 | 55% | 0.551 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 145.3 | 179.7 | -56.1 | -174.3 | 72.9 | 150.6 | 7.3 | 112.3 | K260 F262 L263 | K260-R270 HydrophobicContact CB-CB 3.59Å; K260-R270 HydrophobicContact CD-CB 4.25Å; K260-R270 PolarHBondContact O-NE 3.25Å; K260-R270 PolarHBondContact O-NH2 3.01Å; F262-R270 CarbonylContact O-C 3.56Å; F262-R270 VanDerWaalsContact O-CA 3.3Å; F262-R270 WeakPolarHBondContact O-CA 3.48Å; L263-R270 HydrophobicContact CD1-CG 3.82Å |
| 271 | F | 94.4 | Very high | 94.4 | Very high | 40 Ų | 40 | 69.7 Ų | 69.7 | 18% | 0.175 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 147.3 | -177.9 | -59.8 | -90.5 | 0 | 0 | 0 | 111.1 | K260 F262 C264 K269 Q273 N276 L277 H280 | K260-F271 CarbonylContact C-O 3.34Å; K260-F271 VanDerWaalsContact CA-O 3.25Å; K260-F271 WeakPolarHBondContact CA-O 3.29Å; F262-F271 HydrophobicContact CB-CB 4.32Å; F262-F271 WeakPolarHBondContact CD2-O 3.44Å; F262-F271 PolarHBondContact N-O 3.13Å; F262-F271 VanDerWaalsContact N-O 3.09Å; F262-F271 PolarHBondContact O-N 2.96Å; C264-F271 HydrophobicContact CB-CE2 4.12Å; K269-F271 HydrophobicContact CB-CE2 3.94Å; K269-F271 HydrophobicContact CB-CZ 4.12Å; K269-F271 WeakPolarHBondContact O-CE2 3.47Å; F271-Q273 VanDerWaalsContact C-N 3.3Å; F271-N276 HydrophobicContact CB-CB 4.34Å; F271-N276 HydrophobicContact CD1-CB 3.94Å; F271-N276 HydrophobicContact CG-CB 4.44Å; F271-L277 HydrophobicContact CB-CB 4.27Å; F271-L277 HydrophobicContact CD2-CB 3.9Å; F271-L277 HydrophobicContact CD2-CD1 3.8Å; F271-L277 HydrophobicContact CD2-CG 4.44Å; F271-L277 HydrophobicContact CE2-CD1 3.93Å; F271-L277 HydrophobicContact CG-CB 4.18Å; F271-H280 HydrophobicContact CE1-CB 3.82Å; F271-H280 HydrophobicContact CE2-CB 4Å; F271-H280 AromaticContact CE2-CD2 3.42Å; F271-H280 VanDerWaalsContact CE2-CD2 3.42Å; F271-H280 WeakPolarHBondContact CE2-CD2 3.36Å; F271-H280 AromaticContact CE2-CG 3.7Å; F271-H280 HydrophobicContact CZ-CB 3.43Å; F271-H280 VanDerWaalsContact CZ-CB 3.43Å; F271-H280 AromaticContact CZ-CD2 3.38Å; F271-H280 WeakPolarHBondContact CZ-CD2 3.23Å; F271-H280 AromaticContact CZ-CG 3.17Å; F271-H280 AromaticContact CZ-ND1 3.65Å; F271-H280 AromaticContact CZ-NE2 3.91Å |
| 272 | S | 93.3 | Very high | 94.5 | Very high | 32 Ų | 32 | 69.6 Ų | 69.6 | 22% | 0.224 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -79.7 | -11.9 | 176.5 | 56.3 | 0 | 0 | 0 | 0 | 113.4 | R254 | R254-S272 PolarHBondContact NH1-O 2.84Š|
| 273 | Q | 93 | Very high | 94.5 | Very high | 57 Ų | 57 | 72.7 Ų | 72.7 | 27% | 0.266 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -139.9 | 140.3 | -177.6 | -63.2 | -176.9 | 46.9 | 0 | 0 | 111.7 | L251 F271 Q275 N276 L277 | L251-Q273 HydrophobicContact CD1-CG 3.34Å; L251-Q273 HydrophobicContact CD2-CG 4.16Å; L251-Q273 HydrophobicContact CG-CG 4.31Å; F271-Q273 VanDerWaalsContact C-N 3.3Å; Q273-Q275 VanDerWaalsContact C-N 3.32Å; Q273-Q275 PolarHBondContact O-N 3.27Å; Q273-N276 HydrophobicContact CB-CB 4.36Å; Q273-N276 PolarHBondContact O-N 3.48Å; Q273-L277 PolarHBondContact O-N 3.43Å |
| 274 | K | 92.6 | Very high | 94.4 | Very high | 94 Ų | 94 | 72 Ų | 72 | 41% | 0.409 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -57.9 | -43.4 | 176.8 | -170.7 | 171.8 | -177.7 | 169.1 | 0 | 111.5 | E33 F262 N276 L277 T278 | E33-K274 IonicContact OE2-NZ 3.55Å; E33-K274 PolarHBondContact OE2-NZ 3.08Å; F262-K274 HydrophobicContact CD1-CB 3.91Å; F262-K274 HydrophobicContact CD1-CG 4.33Å; F262-K274 VanDerWaalsContact CD2-N 3.34Å; F262-K274 HydrophobicContact CE1-CB 3.67Å; F262-K274 HydrophobicContact CE1-CG 4.28Å; F262-K274 HydrophobicContact CE2-CB 4.45Å; F262-K274 VanDerWaalsContact CE2-N 3.34Å; F262-K274 HydrophobicContact CG-CB 4.4Å; F262-K274 HydrophobicContact CZ-CB 3.95Å; K274-N276 VanDerWaalsContact C-N 3.29Å; K274-N276 PolarHBondContact O-N 2.99Å; K274-L277 WeakPolarHBondContact O-CB 3.38Å; K274-L277 PolarHBondContact O-N 3.13Å; K274-L277 VanDerWaalsContact O-N 3.09Å; K274-T278 PolarHBondContact O-N 2.84Å; K274-T278 PolarHBondContact O-OG1 3.07Å; K274-T278 VanDerWaalsContact O-OG1 3.13Å |
| 275 | Q | 92.1 | Very high | 94.3 | Very high | 146 Ų | 146 | 75.9 Ų | 75.9 | 68% | 0.682 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -58.9 | -39.4 | 179.8 | -65.1 | 169.3 | 4.1 | 0 | 0 | 112.4 | Q273 T278 L279 | Q273-Q275 VanDerWaalsContact C-N 3.32Å; Q273-Q275 PolarHBondContact O-N 3.27Å; Q275-T278 PolarHBondContact O-N 3.29Å; Q275-L279 WeakPolarHBondContact O-CB 3.41Å; Q275-L279 PolarHBondContact O-N 2.91Å |
| 276 | N | 94.5 | Very high | 94.3 | Very high | 66 Ų | 66 | 72 Ų | 72 | 35% | 0.353 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -68.7 | -37.7 | 177.1 | -68.5 | -13.8 | 0 | 0 | 0 | 111.7 | F271 Q273 K274 H280 | F271-N276 HydrophobicContact CB-CB 4.34Å; F271-N276 HydrophobicContact CD1-CB 3.94Å; F271-N276 HydrophobicContact CG-CB 4.44Å; Q273-N276 HydrophobicContact CB-CB 4.36Å; Q273-N276 PolarHBondContact O-N 3.48Å; K274-N276 VanDerWaalsContact C-N 3.29Å; K274-N276 PolarHBondContact O-N 2.99Å; N276-H280 VanDerWaalsContact O-CB 3.23Å; N276-H280 WeakPolarHBondContact O-CB 3.46Å; N276-H280 PolarHBondContact O-N 3.19Å |
| 277 | L | 95.3 | Very high | 94.3 | Very high | 26 Ų | 26 | 73.2 Ų | 73.2 | 14% | 0.136 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.4 | -50.8 | 171.2 | 171.4 | 61.8 | 0 | 0 | 0 | 110.6 | F262 L263 C264 F271 Q273 K274 L279 H280 M281 | F262-L277 HydrophobicContact CB-CB 4.15Å; F262-L277 HydrophobicContact CB-CD2 3.87Å; L263-L277 WeakPolarHBondContact O-CD2 3.35Å; C264-L277 HydrophobicContact CB-CD1 3.66Å; F271-L277 HydrophobicContact CB-CB 4.27Å; F271-L277 HydrophobicContact CD2-CB 3.9Å; F271-L277 HydrophobicContact CD2-CD1 3.8Å; F271-L277 HydrophobicContact CD2-CG 4.44Å; F271-L277 HydrophobicContact CE2-CD1 3.93Å; F271-L277 HydrophobicContact CG-CB 4.18Å; Q273-L277 PolarHBondContact O-N 3.43Å; K274-L277 WeakPolarHBondContact O-CB 3.38Å; K274-L277 PolarHBondContact O-N 3.13Å; K274-L277 VanDerWaalsContact O-N 3.09Å; L277-L279 VanDerWaalsContact C-N 3.27Å; L277-L279 PolarHBondContact O-N 2.96Å; L277-H280 CarbonylContact O-C 3.32Å; L277-H280 WeakPolarHBondContact O-CA 3.4Å; L277-H280 WeakPolarHBondContact O-CB 3.3Å; L277-H280 PolarHBondContact O-N 3.1Å; L277-M281 HydrophobicContact CD1-CG 4.16Å; L277-M281 HydrophobicContact CD1-SD 3.95Å; L277-M281 HydrophobicContact CG-CG 4.44Å; L277-M281 WeakPolarHBondContact O-CG 3.32Å; L277-M281 PolarHBondContact O-N 2.58Å |
| 278 | T | 93 | Very high | 94.3 | Very high | 73 Ų | 73 | 76 Ų | 76 | 45% | 0.448 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -55.9 | -43.6 | 178.4 | -56 | 0 | 0 | 0 | 0 | 111.9 | K274 Q275 M281 | K274-T278 PolarHBondContact O-N 2.84Å; K274-T278 PolarHBondContact O-OG1 3.07Å; K274-T278 VanDerWaalsContact O-OG1 3.13Å; Q275-T278 PolarHBondContact O-N 3.29Å; T278-M281 PolarHBondContact O-N 2.86Å |
| 279 | L | 94.6 | Very high | 94.2 | Very high | 50 Ų | 50 | 76.6 Ų | 76.6 | 26% | 0.262 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65 | -42.1 | 175.8 | 174.2 | 58.9 | 0 | 0 | 0 | 112 | Q275 L277 M281 R282 Q301 | Q275-L279 WeakPolarHBondContact O-CB 3.41Å; Q275-L279 PolarHBondContact O-N 2.91Å; L277-L279 VanDerWaalsContact C-N 3.27Å; L277-L279 PolarHBondContact O-N 2.96Å; L279-M281 VanDerWaalsContact C-N 3.32Å; L279-M281 PolarHBondContact O-N 3.05Å; L279-R282 WeakPolarHBondContact O-CB 3.1Å; L279-R282 PolarHBondContact O-N 3.37Å; L279-Q301 HydrophobicContact CD1-CG 3.35Å; L279-Q301 HydrophobicContact CD2-CG 4.23Å; L279-Q301 HydrophobicContact CG-CG 4.36Å |
| 280 | H | 95.5 | Very high | 94.2 | Very high | 19 Ų | 19 | 73.2 Ų | 73.2 | 9% | 0.088 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.1 | -38 | 176 | 167.7 | 71.1 | 0 | 0 | 0 | 112.4 | C264 C267 F271 N276 L277 R282 I283 H284 | C264-H280 PolarHBondContact SG-NE2 2.78Å; C264-H280 VanDerWaalsContact SG-NE2 3.38Å; C267-H280 PolarHBondContact SG-NE2 3.36Å; F271-H280 HydrophobicContact CE1-CB 3.82Å; F271-H280 HydrophobicContact CE2-CB 4Å; F271-H280 AromaticContact CE2-CD2 3.42Å; F271-H280 VanDerWaalsContact CE2-CD2 3.42Å; F271-H280 WeakPolarHBondContact CE2-CD2 3.36Å; F271-H280 AromaticContact CE2-CG 3.7Å; F271-H280 HydrophobicContact CZ-CB 3.43Å; F271-H280 VanDerWaalsContact CZ-CB 3.43Å; F271-H280 AromaticContact CZ-CD2 3.38Å; F271-H280 WeakPolarHBondContact CZ-CD2 3.23Å; F271-H280 AromaticContact CZ-CG 3.17Å; F271-H280 AromaticContact CZ-ND1 3.65Å; F271-H280 AromaticContact CZ-NE2 3.91Å; N276-H280 VanDerWaalsContact O-CB 3.23Å; N276-H280 WeakPolarHBondContact O-CB 3.46Å; N276-H280 PolarHBondContact O-N 3.19Å; L277-H280 CarbonylContact O-C 3.32Å; L277-H280 WeakPolarHBondContact O-CA 3.4Å; L277-H280 WeakPolarHBondContact O-CB 3.3Å; L277-H280 PolarHBondContact O-N 3.1Å; H280-R282 PolarHBondContact O-N 3.29Å; H280-R282 VanDerWaalsContact O-N 3.08Å; H280-I283 VanDerWaalsContact O-CB 3.27Å; H280-I283 WeakPolarHBondContact O-CB 3.46Å; H280-I283 WeakPolarHBondContact O-CG1 3.42Å; H280-I283 PolarHBondContact O-N 2.8Å; H280-H284 AromaticContact CE1-NE2 3.67Å; H280-H284 AromaticContact NE2-CD2 3.85Å; H280-H284 AromaticContact NE2-NE2 3.26Å; H280-H284 PolarHBondContact NE2-NE2 3.1Å |
| 281 | M | 95.3 | Very high | 94.3 | Very high | 51 Ų | 51 | 70.5 Ų | 70.5 | 25% | 0.251 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -57.2 | -26.6 | 177.7 | -67.7 | -50.7 | -66.3 | 0 | 0 | 112.6 | C264 L277 T278 L279 I283 H284 T285 | C264-M281 HydrophobicContact CB-SD 4.37Å; L277-M281 HydrophobicContact CD1-CG 4.16Å; L277-M281 HydrophobicContact CD1-SD 3.95Å; L277-M281 HydrophobicContact CG-CG 4.44Å; L277-M281 WeakPolarHBondContact O-CG 3.32Å; L277-M281 PolarHBondContact O-N 2.58Å; T278-M281 PolarHBondContact O-N 2.86Å; L279-M281 VanDerWaalsContact C-N 3.32Å; L279-M281 PolarHBondContact O-N 3.05Å; M281-I283 PolarHBondContact O-N 3.29Å; M281-I283 VanDerWaalsContact O-N 3.16Å; M281-H284 WeakPolarHBondContact O-CB 3.42Å; M281-H284 PolarHBondContact O-N 3.28Å; M281-T285 PolarHBondContact O-N 3.18Å; M281-T285 PolarHBondContact O-OG1 2.86Å |
| 282 | R | 95.3 | Very high | 94.4 | Very high | 63 Ų | 63 | 68.7 Ų | 68.7 | 24% | 0.238 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.5 | -20.4 | 174.4 | -60.1 | -173.5 | -179.5 | 151.1 | 6.2 | 114 | L279 H280 H284 T285 G286 E287 S300 | L279-R282 WeakPolarHBondContact O-CB 3.1Å; L279-R282 PolarHBondContact O-N 3.37Å; H280-R282 PolarHBondContact O-N 3.29Å; H280-R282 VanDerWaalsContact O-N 3.08Å; R282-H284 VanDerWaalsContact C-N 3.34Å; R282-T285 WeakPolarHBondContact CA-OG1 3.4Å; R282-G286 WeakPolarHBondContact O-CA 3.25Å; R282-G286 PolarHBondContact O-N 3.13Å; R282-E287 HydrophobicContact CB-CB 4.34Å; R282-E287 HydrophobicContact CG-CB 4.14Å; R282-E287 PolarHBondContact O-N 3.37Å; R282-S300 PolarHBondContact NH1-O 3.47Å |
| 283 | I | 94.6 | Very high | 94.5 | Very high | 126 Ų | 126 | 73.3 Ų | 73.3 | 65% | 0.646 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -69.7 | -37.1 | 172.8 | -59.2 | 175.7 | 0 | 0 | 0 | 110.1 | H280 M281 | H280-I283 VanDerWaalsContact O-CB 3.27Å; H280-I283 WeakPolarHBondContact O-CB 3.46Å; H280-I283 WeakPolarHBondContact O-CG1 3.42Å; H280-I283 PolarHBondContact O-N 2.8Å; M281-I283 PolarHBondContact O-N 3.29Å; M281-I283 VanDerWaalsContact O-N 3.16Å |
| 284 | H | 94.4 | Very high | 94.5 | Very high | 75 Ų | 75 | 74.6 Ų | 74.6 | 35% | 0.347 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -79.9 | -42.3 | 179.3 | -63.5 | -56.3 | 0 | 0 | 0 | 112.1 | C264 T266 C267 H280 M281 R282 G286 | C264-H284 PolarHBondContact SG-NE2 3.18Å; T266-H284 HydrophobicContact CG2-CB 4.2Å; C267-H284 PolarHBondContact SG-NE2 3.47Å; H280-H284 AromaticContact CE1-NE2 3.67Å; H280-H284 AromaticContact NE2-CD2 3.85Å; H280-H284 AromaticContact NE2-NE2 3.26Å; H280-H284 PolarHBondContact NE2-NE2 3.1Å; M281-H284 WeakPolarHBondContact O-CB 3.42Å; M281-H284 PolarHBondContact O-N 3.28Å; R282-H284 VanDerWaalsContact C-N 3.34Å; H284-G286 VanDerWaalsContact C-N 3.33Å |
| 285 | T | 93.6 | Very high | 94.7 | Very high | 81 Ų | 81 | 72.8 Ų | 72.8 | 50% | 0.497 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -79.7 | -17.1 | -179.9 | 63.7 | 0 | 0 | 0 | 0 | 113.2 | M281 R282 E287 | M281-T285 PolarHBondContact O-N 3.18Å; M281-T285 PolarHBondContact O-OG1 2.86Å; R282-T285 WeakPolarHBondContact CA-OG1 3.4Å; T285-E287 PolarHBondContact O-N 2.88Å; T285-E287 WeakPolarHBondContact OG1-CG 3.5Å; T285-E287 PolarHBondContact OG1-N 3.03Å |
| 286 | G | 93.3 | Very high | 94.9 | Very high | 47 Ų | 47 | 68 Ų | 68 | 49% | 0.485 | 38% | 0.384 | S | S | . | . | trans | 72.3 | 7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | R282 H284 K288 | R282-G286 WeakPolarHBondContact O-CA 3.25Å; R282-G286 PolarHBondContact O-N 3.13Å; H284-G286 VanDerWaalsContact C-N 3.33Å; G286-K288 PolarHBondContact O-N 2.96Å | ||
| 287 | E | 94.1 | Very high | 95 | Very high | 111 Ų | 111 | 71 Ų | 71 | 52% | 0.519 | 39% | 0.394 | S | S | . | . | trans | -59.1 | 122 | -178.7 | -80.7 | -179.4 | -170.4 | 0 | 0 | 112.4 | R282 T285 | R282-E287 HydrophobicContact CB-CB 4.34Å; R282-E287 HydrophobicContact CG-CB 4.14Å; R282-E287 PolarHBondContact O-N 3.37Å; T285-E287 PolarHBondContact O-N 2.88Å; T285-E287 WeakPolarHBondContact OG1-CG 3.5Å; T285-E287 PolarHBondContact OG1-N 3.03Å | ||
| 288 | K | 95.3 | Very high | 95 | Very high | 113 Ų | 113 | 76.8 Ų | 76.8 | 49% | 0.491 | 41% | 0.413 | S | S | . | . | trans | -127.8 | 79.3 | 176.2 | -67.6 | 172.9 | 179.3 | -178.1 | 0 | 110.4 | G286 F290 R298 F299 | G286-K288 PolarHBondContact O-N 2.96Å; K288-F290 PolarHBondContact O-N 3.26Å; K288-R298 HydrophobicContact CB-CB 3.6Å; K288-R298 HydrophobicContact CD-CB 4.21Å; K288-R298 PolarHBondContact O-NE 3.42Å; K288-R298 PolarHBondContact O-NH2 3.49Å; K288-F299 CarbonylContact C-O 3.56Å; K288-F299 VanDerWaalsContact C-O 3.23Å; K288-F299 VanDerWaalsContact CA-O 3.27Å; K288-F299 WeakPolarHBondContact CA-O 3.45Å | ||
| 289 | P | 92.8 | Very high | 95.1 | Very high | 63 Ų | 63 | 75.1 Ų | 75.1 | 41% | 0.409 | 40% | 0.4 | S | S | . | . | trans | -65.8 | -23.7 | -172.3 | -22.1 | 34.3 | 0 | 0 | 0 | 113.8 | ||||
| 290 | F | 96.6 | Very high | 95.1 | Very high | 59 Ų | 59 | 74.3 Ų | 74.3 | 26% | 0.259 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 114.7 | -169.6 | -55.1 | -77.8 | 0 | 0 | 0 | 110.7 | K288 R298 F299 K302 L305 | K288-F290 PolarHBondContact O-N 3.26Å; F290-R298 CarbonylContact O-C 3.58Å; F290-R298 VanDerWaalsContact O-CA 3.3Å; F290-R298 WeakPolarHBondContact O-CA 3.4Å; F290-F299 HydrophobicContact CB-CB 4.34Å; F290-F299 WeakPolarHBondContact CD2-O 3.48Å; F290-F299 PolarHBondContact N-O 2.89Å; F290-F299 VanDerWaalsContact N-O 3.11Å; F290-F299 PolarHBondContact O-N 3.39Å; F290-K302 HydrophobicContact CD1-CB 3.94Å; F290-K302 HydrophobicContact CD1-CG 4.34Å; F290-K302 HydrophobicContact CE1-CB 3.7Å; F290-K302 HydrophobicContact CE1-CG 4.29Å; F290-K302 HydrophobicContact CE2-CB 4.41Å; F290-K302 HydrophobicContact CG-CB 4.39Å; F290-K302 HydrophobicContact CZ-CB 3.95Å; F290-L305 HydrophobicContact CB-CB 4.17Å; F290-L305 HydrophobicContact CB-CD2 3.88Å |
| 291 | L | 96.8 | Very high | 95 | Very high | 89 Ų | 89 | 76.3 Ų | 76.3 | 47% | 0.466 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 131.5 | -179 | 177.2 | 66.7 | 0 | 0 | 0 | 110.9 | G296 R298 L305 | L291-G296 VanDerWaalsContact CD1-O 3.29Å; L291-G296 WeakPolarHBondContact CD1-O 3.22Å; L291-R298 HydrophobicContact CD1-CG 3.82Å; L291-L305 WeakPolarHBondContact O-CD2 3.35Å |
| 292 | C | 96.9 | Very high | 94.9 | Very high | 1 Ų | 1 | 80.1 Ų | 80.1 | 1% | 0.007 | 42% | 0.423 | C | S | . | . | trans | -78.4 | 115 | 161.7 | 177.1 | 0 | 0 | 0 | 0 | 108.9 | T294 C295 G296 K297 F299 L305 M309 | C292-T294 PolarHBondContact O-N 3.37Å; C292-T294 PolarHBondContact SG-N 2.85Å; C292-C295 PolarHBondContact SG-N 3.45Å; C292-G296 WeakPolarHBondContact O-CA 3.47Å; C292-G296 PolarHBondContact O-N 3.11Å; C292-K297 HydrophobicContact CB-CB 4.45Å; C292-K297 VanDerWaalsContact CB-O 3.29Å; C292-K297 WeakPolarHBondContact CB-O 3.43Å; C292-K297 PolarHBondContact N-O 3.1Å; C292-F299 HydrophobicContact CB-CE2 4.15Å; C292-L305 HydrophobicContact CB-CD1 3.67Å; C292-M309 HydrophobicContact CB-SD 4.39Å | ||
| 293 | V | 94.2 | Very high | 94.8 | Very high | 129 Ų | 129 | 84.1 Ų | 84.1 | 78% | 0.782 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -25.1 | 178.8 | -65 | 0 | 0 | 0 | 0 | 112.7 | ||
| 294 | T | 95 | Very high | 94.8 | Very high | 85 Ų | 85 | 81.1 Ų | 81.1 | 52% | 0.521 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -38.5 | -176.3 | -47.5 | 0 | 0 | 0 | 0 | 113.1 | C292 H312 | C292-T294 PolarHBondContact O-N 3.37Å; C292-T294 PolarHBondContact SG-N 2.85Å; T294-H312 HydrophobicContact CG2-CB 4.25Å |
| 295 | C | 96.3 | Very high | 94.9 | Very high | 55 Ų | 55 | 78.8 Ų | 78.8 | 37% | 0.372 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.8 | 6.7 | -176.9 | 72 | 0 | 0 | 0 | 0 | 114.8 | C292 K297 H308 H312 | C292-C295 PolarHBondContact SG-N 3.45Å; C295-K297 PolarHBondContact O-N 2.78Å; C295-K297 VanDerWaalsContact O-N 3.08Å; C295-K297 VanDerWaalsContact SG-CG 3.59Å; C295-H308 PolarHBondContact SG-NE2 3.11Å; C295-H312 PolarHBondContact SG-NE2 3.47Å; C295-H312 VanDerWaalsContact SG-NE2 3.39Å |
| 296 | G | 94.9 | Very high | 94.9 | Very high | 47 Ų | 47 | 78.4 Ų | 78.4 | 49% | 0.485 | 42% | 0.418 | S | S | . | . | trans | 71.9 | -3.8 | 179 | 0 | 0 | 0 | 0 | 0 | 115.3 | L291 C292 R298 | L291-G296 VanDerWaalsContact CD1-O 3.29Å; L291-G296 WeakPolarHBondContact CD1-O 3.22Å; C292-G296 WeakPolarHBondContact O-CA 3.47Å; C292-G296 PolarHBondContact O-N 3.11Å; G296-R298 PolarHBondContact O-N 3.5Å | ||
| 297 | K | 96.4 | Very high | 95 | Very high | 128 Ų | 128 | 78.8 Ų | 78.8 | 56% | 0.557 | 41% | 0.408 | S | S | * | . | trans | -64.6 | 136.8 | -179.9 | -74.1 | -176.9 | -177.9 | 178.8 | 0 | 111.3 | C292 C295 F299 | C292-K297 HydrophobicContact CB-CB 4.45Å; C292-K297 VanDerWaalsContact CB-O 3.29Å; C292-K297 WeakPolarHBondContact CB-O 3.43Å; C292-K297 PolarHBondContact N-O 3.1Å; C295-K297 PolarHBondContact O-N 2.78Å; C295-K297 VanDerWaalsContact O-N 3.08Å; C295-K297 VanDerWaalsContact SG-CG 3.59Å; K297-F299 HydrophobicContact CB-CE2 3.87Å; K297-F299 HydrophobicContact CB-CZ 4.01Å; K297-F299 WeakPolarHBondContact O-CE2 3.25Å | ||
| 298 | R | 96.6 | Very high | 95 | Very high | 147 Ų | 147 | 74.4 Ų | 74.4 | 56% | 0.555 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 144.5 | 179.4 | -56.6 | -173.9 | 72 | 147.5 | 5.6 | 111.9 | K288 F290 L291 G296 | K288-R298 HydrophobicContact CB-CB 3.6Å; K288-R298 HydrophobicContact CD-CB 4.21Å; K288-R298 PolarHBondContact O-NE 3.42Å; K288-R298 PolarHBondContact O-NH2 3.49Å; F290-R298 CarbonylContact O-C 3.58Å; F290-R298 VanDerWaalsContact O-CA 3.3Å; F290-R298 WeakPolarHBondContact O-CA 3.4Å; L291-R298 HydrophobicContact CD1-CG 3.82Å; G296-R298 PolarHBondContact O-N 3.5Å |
| 299 | F | 95.1 | Very high | 95 | Very high | 38 Ų | 38 | 71.5 Ų | 71.5 | 17% | 0.167 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 146.5 | -177.6 | -58.7 | -90.3 | 0 | 0 | 0 | 110.9 | K288 F290 C292 K297 Q301 N304 L305 H308 | K288-F299 CarbonylContact C-O 3.56Å; K288-F299 VanDerWaalsContact C-O 3.23Å; K288-F299 VanDerWaalsContact CA-O 3.27Å; K288-F299 WeakPolarHBondContact CA-O 3.45Å; F290-F299 HydrophobicContact CB-CB 4.34Å; F290-F299 WeakPolarHBondContact CD2-O 3.48Å; F290-F299 PolarHBondContact N-O 2.89Å; F290-F299 VanDerWaalsContact N-O 3.11Å; F290-F299 PolarHBondContact O-N 3.39Å; C292-F299 HydrophobicContact CB-CE2 4.15Å; K297-F299 HydrophobicContact CB-CE2 3.87Å; K297-F299 HydrophobicContact CB-CZ 4.01Å; K297-F299 WeakPolarHBondContact O-CE2 3.25Å; F299-Q301 VanDerWaalsContact C-N 3.29Å; F299-N304 HydrophobicContact CB-CB 4.31Å; F299-N304 HydrophobicContact CD1-CB 3.92Å; F299-N304 HydrophobicContact CG-CB 4.41Å; F299-L305 HydrophobicContact CB-CB 4.29Å; F299-L305 HydrophobicContact CD2-CB 3.89Å; F299-L305 HydrophobicContact CD2-CD1 3.81Å; F299-L305 HydrophobicContact CD2-CG 4.44Å; F299-L305 HydrophobicContact CE2-CD1 3.93Å; F299-L305 HydrophobicContact CG-CB 4.19Å; F299-H308 HydrophobicContact CE1-CB 3.87Å; F299-H308 HydrophobicContact CE2-CB 4.03Å; F299-H308 AromaticContact CE2-CD2 3.42Å; F299-H308 VanDerWaalsContact CE2-CD2 3.42Å; F299-H308 WeakPolarHBondContact CE2-CD2 3.16Å; F299-H308 AromaticContact CE2-CG 3.75Å; F299-H308 HydrophobicContact CZ-CB 3.46Å; F299-H308 VanDerWaalsContact CZ-CB 3.46Å; F299-H308 AromaticContact CZ-CD2 3.35Å; F299-H308 WeakPolarHBondContact CZ-CD2 3.17Å; F299-H308 AromaticContact CZ-CG 3.2Å; F299-H308 AromaticContact CZ-ND1 3.73Å; F299-H308 AromaticContact CZ-NE2 3.9Å |
| 300 | S | 93.8 | Very high | 95.1 | Very high | 33 Ų | 33 | 71.4 Ų | 71.4 | 23% | 0.231 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -79.1 | -13.1 | 176.1 | 56.5 | 0 | 0 | 0 | 0 | 113.2 | R282 | R282-S300 PolarHBondContact NH1-O 3.47Š|
| 301 | Q | 94 | Very high | 95 | Very high | 62 Ų | 62 | 74.5 Ų | 74.5 | 29% | 0.29 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -138.5 | 142.1 | -178.2 | -63.9 | -176.6 | 49.9 | 0 | 0 | 111.4 | L279 F299 Q303 N304 L305 | L279-Q301 HydrophobicContact CD1-CG 3.35Å; L279-Q301 HydrophobicContact CD2-CG 4.23Å; L279-Q301 HydrophobicContact CG-CG 4.36Å; F299-Q301 VanDerWaalsContact C-N 3.29Å; Q301-Q303 PolarHBondContact O-N 3.14Å; Q301-N304 HydrophobicContact CB-CB 4.42Å; Q301-N304 PolarHBondContact O-N 2.74Å; Q301-L305 PolarHBondContact O-N 3.45Å |
| 302 | K | 93.7 | Very high | 94.9 | Very high | 130 Ų | 130 | 73.8 Ų | 73.8 | 57% | 0.565 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -60.4 | -42.9 | 177.3 | -172.1 | 178.8 | 177.6 | -177.3 | 0 | 112 | F290 N304 L305 T306 | F290-K302 HydrophobicContact CD1-CB 3.94Å; F290-K302 HydrophobicContact CD1-CG 4.34Å; F290-K302 HydrophobicContact CE1-CB 3.7Å; F290-K302 HydrophobicContact CE1-CG 4.29Å; F290-K302 HydrophobicContact CE2-CB 4.41Å; F290-K302 HydrophobicContact CG-CB 4.39Å; F290-K302 HydrophobicContact CZ-CB 3.95Å; K302-N304 VanDerWaalsContact C-N 3.27Å; K302-N304 PolarHBondContact O-N 3.17Å; K302-L305 WeakPolarHBondContact O-CA 3.48Å; K302-L305 WeakPolarHBondContact O-CB 3.45Å; K302-L305 PolarHBondContact O-N 3.32Å; K302-T306 PolarHBondContact O-N 3.41Å; K302-T306 PolarHBondContact O-OG1 3.41Å |
| 303 | Q | 92.9 | Very high | 94.7 | Very high | 148 Ų | 148 | 77.6 Ų | 77.6 | 69% | 0.692 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -60.2 | -37.6 | -179.7 | -169.4 | 176.7 | 17.7 | 0 | 0 | 112.3 | Q301 T306 L307 | Q301-Q303 PolarHBondContact O-N 3.14Å; Q303-T306 PolarHBondContact O-N 3Å; Q303-L307 WeakPolarHBondContact O-CB 3.2Å; Q303-L307 PolarHBondContact O-N 3.12Å |
| 304 | N | 94.8 | Very high | 94.7 | Very high | 63 Ų | 63 | 73.7 Ų | 73.7 | 34% | 0.337 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -67.8 | -37.3 | 176.1 | -67.3 | -13 | 0 | 0 | 0 | 111.7 | F299 Q301 K302 H308 | F299-N304 HydrophobicContact CB-CB 4.31Å; F299-N304 HydrophobicContact CD1-CB 3.92Å; F299-N304 HydrophobicContact CG-CB 4.41Å; Q301-N304 HydrophobicContact CB-CB 4.42Å; Q301-N304 PolarHBondContact O-N 2.74Å; K302-N304 VanDerWaalsContact C-N 3.27Å; K302-N304 PolarHBondContact O-N 3.17Å; N304-H308 WeakPolarHBondContact O-CB 3.47Å; N304-H308 PolarHBondContact O-N 2.9Å |
| 305 | L | 96 | Very high | 94.6 | Very high | 26 Ų | 26 | 74.7 Ų | 74.7 | 14% | 0.136 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.3 | -49.3 | 171.1 | 171.8 | 62 | 0 | 0 | 0 | 110.7 | F290 L291 C292 F299 Q301 K302 L307 H308 M309 | F290-L305 HydrophobicContact CB-CB 4.17Å; F290-L305 HydrophobicContact CB-CD2 3.88Å; L291-L305 WeakPolarHBondContact O-CD2 3.35Å; C292-L305 HydrophobicContact CB-CD1 3.67Å; F299-L305 HydrophobicContact CB-CB 4.29Å; F299-L305 HydrophobicContact CD2-CB 3.89Å; F299-L305 HydrophobicContact CD2-CD1 3.81Å; F299-L305 HydrophobicContact CD2-CG 4.44Å; F299-L305 HydrophobicContact CE2-CD1 3.93Å; F299-L305 HydrophobicContact CG-CB 4.19Å; Q301-L305 PolarHBondContact O-N 3.45Å; K302-L305 WeakPolarHBondContact O-CA 3.48Å; K302-L305 WeakPolarHBondContact O-CB 3.45Å; K302-L305 PolarHBondContact O-N 3.32Å; L305-L307 VanDerWaalsContact C-N 3.32Å; L305-L307 PolarHBondContact O-N 3.49Å; L305-H308 CarbonylContact O-C 3.57Å; L305-H308 WeakPolarHBondContact O-CA 3.42Å; L305-H308 WeakPolarHBondContact O-CB 3.37Å; L305-H308 PolarHBondContact O-N 3.07Å; L305-H308 VanDerWaalsContact O-N 3.07Å; L305-M309 HydrophobicContact CD1-CG 4.18Å; L305-M309 HydrophobicContact CD1-SD 3.99Å; L305-M309 HydrophobicContact CG-CG 4.47Å; L305-M309 WeakPolarHBondContact O-CG 3.4Å; L305-M309 PolarHBondContact O-N 2.88Å |
| 306 | T | 94.1 | Very high | 94.5 | Very high | 73 Ų | 73 | 78 Ų | 78 | 45% | 0.448 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -57 | -45.3 | 178.3 | -59 | 0 | 0 | 0 | 0 | 111.9 | K302 Q303 H308 M309 | K302-T306 PolarHBondContact O-N 3.41Å; K302-T306 PolarHBondContact O-OG1 3.41Å; Q303-T306 PolarHBondContact O-N 3Å; T306-H308 VanDerWaalsContact C-N 3.34Å; T306-M309 PolarHBondContact O-N 3.04Å |
| 307 | L | 94.2 | Very high | 94.4 | Very high | 54 Ų | 54 | 79.2 Ų | 79.2 | 28% | 0.283 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.4 | -43.3 | 174.9 | 174 | 60.1 | 0 | 0 | 0 | 111.8 | Q303 L305 M309 R310 L329 | Q303-L307 WeakPolarHBondContact O-CB 3.2Å; Q303-L307 PolarHBondContact O-N 3.12Å; L305-L307 VanDerWaalsContact C-N 3.32Å; L305-L307 PolarHBondContact O-N 3.49Å; L307-M309 VanDerWaalsContact C-N 3.29Å; L307-M309 PolarHBondContact O-N 3.06Å; L307-R310 WeakPolarHBondContact O-CB 3.17Å; L307-R310 PolarHBondContact O-N 3.16Å; L307-L329 HydrophobicContact CD1-CD1 4.39Å; L307-L329 HydrophobicContact CD1-CD2 3.27Å; L307-L329 HydrophobicContact CD1-CG 3.76Å; L307-L329 HydrophobicContact CD2-CD1 4.22Å; L307-L329 HydrophobicContact CD2-CD2 3.72Å; L307-L329 HydrophobicContact CD2-CG 4.37Å; L307-L329 HydrophobicContact CG-CD2 4.12Å |
| 308 | H | 95.3 | Very high | 94.4 | Very high | 19 Ų | 19 | 76 Ų | 76 | 9% | 0.088 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62 | -37.1 | 177.4 | 169.9 | 68.2 | 0 | 0 | 0 | 112.3 | C295 F299 N304 L305 T306 R310 I311 H312 | C295-H308 PolarHBondContact SG-NE2 3.11Å; F299-H308 HydrophobicContact CE1-CB 3.87Å; F299-H308 HydrophobicContact CE2-CB 4.03Å; F299-H308 AromaticContact CE2-CD2 3.42Å; F299-H308 VanDerWaalsContact CE2-CD2 3.42Å; F299-H308 WeakPolarHBondContact CE2-CD2 3.16Å; F299-H308 AromaticContact CE2-CG 3.75Å; F299-H308 HydrophobicContact CZ-CB 3.46Å; F299-H308 VanDerWaalsContact CZ-CB 3.46Å; F299-H308 AromaticContact CZ-CD2 3.35Å; F299-H308 WeakPolarHBondContact CZ-CD2 3.17Å; F299-H308 AromaticContact CZ-CG 3.2Å; F299-H308 AromaticContact CZ-ND1 3.73Å; F299-H308 AromaticContact CZ-NE2 3.9Å; N304-H308 WeakPolarHBondContact O-CB 3.47Å; N304-H308 PolarHBondContact O-N 2.9Å; L305-H308 CarbonylContact O-C 3.57Å; L305-H308 WeakPolarHBondContact O-CA 3.42Å; L305-H308 WeakPolarHBondContact O-CB 3.37Å; L305-H308 PolarHBondContact O-N 3.07Å; L305-H308 VanDerWaalsContact O-N 3.07Å; T306-H308 VanDerWaalsContact C-N 3.34Å; H308-R310 PolarHBondContact O-N 2.99Å; H308-R310 VanDerWaalsContact O-N 3.13Å; H308-I311 VanDerWaalsContact O-CB 3.28Å; H308-I311 WeakPolarHBondContact O-CB 3.34Å; H308-I311 WeakPolarHBondContact O-CG1 3.1Å; H308-I311 PolarHBondContact O-N 2.89Å; H308-H312 AromaticContact CE1-NE2 3.74Å; H308-H312 AromaticContact NE2-CD2 3.91Å; H308-H312 AromaticContact NE2-NE2 3.33Å; H308-H312 PolarHBondContact NE2-NE2 2.95Å |
| 309 | M | 95.4 | Very high | 94.4 | Very high | 52 Ų | 52 | 72.6 Ų | 72.6 | 26% | 0.256 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -58.4 | -26.9 | 177.3 | -68.6 | -48.5 | -68 | 0 | 0 | 112.8 | C292 L305 T306 L307 I311 H312 T313 | C292-M309 HydrophobicContact CB-SD 4.39Å; L305-M309 HydrophobicContact CD1-CG 4.18Å; L305-M309 HydrophobicContact CD1-SD 3.99Å; L305-M309 HydrophobicContact CG-CG 4.47Å; L305-M309 WeakPolarHBondContact O-CG 3.4Å; L305-M309 PolarHBondContact O-N 2.88Å; T306-M309 PolarHBondContact O-N 3.04Å; L307-M309 VanDerWaalsContact C-N 3.29Å; L307-M309 PolarHBondContact O-N 3.06Å; M309-I311 PolarHBondContact O-N 3.26Å; M309-I311 VanDerWaalsContact O-N 3.17Å; M309-H312 WeakPolarHBondContact O-CB 3.38Å; M309-H312 PolarHBondContact O-N 3.46Å; M309-T313 PolarHBondContact O-N 3.04Å; M309-T313 PolarHBondContact O-OG1 3.3Å |
| 310 | R | 94.9 | Very high | 94.4 | Very high | 62 Ų | 62 | 70.9 Ų | 70.9 | 23% | 0.234 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.9 | -22.1 | 174.3 | -60.7 | -174.9 | -179.1 | 158.8 | 1.1 | 113.8 | L307 H308 H312 T313 G314 E315 S328 | L307-R310 WeakPolarHBondContact O-CB 3.17Å; L307-R310 PolarHBondContact O-N 3.16Å; H308-R310 PolarHBondContact O-N 2.99Å; H308-R310 VanDerWaalsContact O-N 3.13Å; R310-H312 VanDerWaalsContact C-N 3.31Å; R310-T313 WeakPolarHBondContact CA-OG1 3.41Å; R310-G314 WeakPolarHBondContact O-CA 3.32Å; R310-G314 PolarHBondContact O-N 2.88Å; R310-E315 HydrophobicContact CB-CB 4.37Å; R310-E315 HydrophobicContact CG-CB 4.2Å; R310-E315 PolarHBondContact O-N 2.9Å; R310-S328 PolarHBondContact NH1-O 3.19Å |
| 311 | I | 94 | Very high | 94.4 | Very high | 124 Ų | 124 | 73.2 Ų | 73.2 | 64% | 0.636 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -69.1 | -35.9 | 173.3 | -58.4 | 176.3 | 0 | 0 | 0 | 110.2 | H308 M309 | H308-I311 VanDerWaalsContact O-CB 3.28Å; H308-I311 WeakPolarHBondContact O-CB 3.34Å; H308-I311 WeakPolarHBondContact O-CG1 3.1Å; H308-I311 PolarHBondContact O-N 2.89Å; M309-I311 PolarHBondContact O-N 3.26Å; M309-I311 VanDerWaalsContact O-N 3.17Å |
| 312 | H | 94.4 | Very high | 94.3 | Very high | 74 Ų | 74 | 76 Ų | 76 | 34% | 0.343 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -81.2 | -40.7 | 179.4 | -64.9 | -56.3 | 0 | 0 | 0 | 112.4 | T294 C295 H308 M309 R310 G314 | T294-H312 HydrophobicContact CG2-CB 4.25Å; C295-H312 PolarHBondContact SG-NE2 3.47Å; C295-H312 VanDerWaalsContact SG-NE2 3.39Å; H308-H312 AromaticContact CE1-NE2 3.74Å; H308-H312 AromaticContact NE2-CD2 3.91Å; H308-H312 AromaticContact NE2-NE2 3.33Å; H308-H312 PolarHBondContact NE2-NE2 2.95Å; M309-H312 WeakPolarHBondContact O-CB 3.38Å; M309-H312 PolarHBondContact O-N 3.46Å; R310-H312 VanDerWaalsContact C-N 3.31Å; H312-G314 VanDerWaalsContact C-N 3.33Å |
| 313 | T | 93.6 | Very high | 94.4 | Very high | 80 Ų | 80 | 72.4 Ų | 72.4 | 49% | 0.491 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -80 | -17.6 | 179.4 | 62.7 | 0 | 0 | 0 | 0 | 113 | M309 R310 E315 | M309-T313 PolarHBondContact O-N 3.04Å; M309-T313 PolarHBondContact O-OG1 3.3Å; R310-T313 WeakPolarHBondContact CA-OG1 3.41Å; T313-E315 PolarHBondContact O-N 3.47Å; T313-E315 WeakPolarHBondContact OG1-CB 3.37Å; T313-E315 WeakPolarHBondContact OG1-CG 3.43Å; T313-E315 PolarHBondContact OG1-N 3.45Å |
| 314 | G | 92.7 | Very high | 94.3 | Very high | 47 Ų | 47 | 68 Ų | 68 | 49% | 0.485 | 40% | 0.404 | S | S | . | . | trans | 73.2 | 5.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114 | R310 H312 K316 | R310-G314 WeakPolarHBondContact O-CA 3.32Å; R310-G314 PolarHBondContact O-N 2.88Å; H312-G314 VanDerWaalsContact C-N 3.33Å; G314-K316 PolarHBondContact O-N 3.02Å | ||
| 315 | E | 93.9 | Very high | 94.3 | Very high | 106 Ų | 106 | 71.2 Ų | 71.2 | 50% | 0.495 | 42% | 0.415 | S | S | . | . | trans | -58.1 | 124.1 | -179.4 | -80.4 | 172.9 | -152.2 | 0 | 0 | 112.2 | R310 T313 | R310-E315 HydrophobicContact CB-CB 4.37Å; R310-E315 HydrophobicContact CG-CB 4.2Å; R310-E315 PolarHBondContact O-N 2.9Å; T313-E315 PolarHBondContact O-N 3.47Å; T313-E315 WeakPolarHBondContact OG1-CB 3.37Å; T313-E315 WeakPolarHBondContact OG1-CG 3.43Å; T313-E315 PolarHBondContact OG1-N 3.45Å | ||
| 316 | K | 94.4 | Very high | 94.3 | Very high | 125 Ų | 125 | 72.2 Ų | 72.2 | 54% | 0.543 | 42% | 0.424 | S | S | . | . | trans | -129 | 77.8 | 177.1 | -71.5 | 169.6 | 173.6 | -174.8 | 0 | 109.8 | G314 F318 S326 F327 | G314-K316 PolarHBondContact O-N 3.02Å; K316-F318 PolarHBondContact O-N 3.07Å; K316-F318 VanDerWaalsContact O-N 3.11Å; K316-S326 WeakPolarHBondContact CD-O 3.38Å; K316-F327 CarbonylContact C-O 3.57Å; K316-F327 VanDerWaalsContact C-O 3.27Å; K316-F327 WeakPolarHBondContact CA-O 3.45Å | ||
| 317 | P | 93.4 | Very high | 94.3 | Very high | 73 Ų | 73 | 70.7 Ų | 70.7 | 47% | 0.474 | 41% | 0.411 | S | S | . | . | trans | -67 | -14.8 | -171.1 | -21.1 | 33.9 | 0 | 0 | 0 | 114.5 | ||||
| 318 | F | 96.1 | Very high | 94.2 | Very high | 61 Ų | 61 | 69.8 Ų | 69.8 | 27% | 0.268 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 99.4 | -171 | -53.9 | -73.6 | 0 | 0 | 0 | 110.4 | K316 S326 F327 L329 R330 L333 | K316-F318 PolarHBondContact O-N 3.07Å; K316-F318 VanDerWaalsContact O-N 3.11Å; F318-S326 CarbonylContact O-C 3.47Å; F318-S326 VanDerWaalsContact O-CA 3.31Å; F318-S326 WeakPolarHBondContact O-CA 3.21Å; F318-F327 WeakPolarHBondContact CD2-O 3.46Å; F318-F327 PolarHBondContact N-O 2.96Å; F318-F327 VanDerWaalsContact N-O 3.16Å; F318-F327 PolarHBondContact O-N 3.31Å; F318-L329 VanDerWaalsContact CD2-C 3.45Å; F318-R330 HydrophobicContact CD1-CB 4.03Å; F318-R330 HydrophobicContact CD1-CG 4.42Å; F318-R330 HydrophobicContact CD2-CB 4.46Å; F318-R330 HydrophobicContact CE1-CB 3.91Å; F318-R330 HydrophobicContact CE1-CG 4.47Å; F318-R330 HydrophobicContact CE2-CB 4.34Å; F318-R330 HydrophobicContact CG-CB 4.3Å; F318-R330 HydrophobicContact CZ-CB 4.07Å; F318-L333 HydrophobicContact CB-CB 4.12Å; F318-L333 HydrophobicContact CB-CD2 3.85Å |
| 319 | S | 95.7 | Very high | 94.1 | Very high | 74 Ų | 74 | 71.3 Ų | 71.3 | 52% | 0.517 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 145.3 | 178.2 | 51 | 0 | 0 | 0 | 0 | 112.4 | L333 | S319-L333 WeakPolarHBondContact O-CD2 3.25Å |
| 320 | C | 95.8 | Very high | 94 | Very high | 3 Ų | 3 | 77.4 Ų | 77.4 | 2% | 0.02 | 44% | 0.438 | C | S | . | . | trans | -86.1 | 119.4 | 172.2 | 178.8 | 0 | 0 | 0 | 0 | 110.2 | N322 C323 G324 K325 L333 | C320-N322 VanDerWaalsContact C-N 3.26Å; C320-N322 PolarHBondContact O-N 3.45Å; C320-C323 PolarHBondContact O-N 3.38Å; C320-C323 VanDerWaalsContact SG-SG 3.68Å; C320-G324 VanDerWaalsContact O-CA 3.27Å; C320-G324 WeakPolarHBondContact O-CA 3.44Å; C320-G324 PolarHBondContact O-N 3.49Å; C320-K325 WeakPolarHBondContact CB-O 3.19Å; C320-K325 PolarHBondContact N-O 2.78Å; C320-L333 HydrophobicContact CB-CD1 3.61Å | ||
| 321 | G | 93.9 | Very high | 93.8 | Very high | 82 Ų | 82 | 80.4 Ų | 80.4 | 85% | 0.845 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -33.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 322 | N | 92.1 | Very high | 93.7 | Very high | 120 Ų | 120 | 78.3 Ų | 78.3 | 64% | 0.642 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -27.5 | -176.5 | -58 | 73.2 | 0 | 0 | 0 | 114.4 | C320 | C320-N322 VanDerWaalsContact C-N 3.26Å; C320-N322 PolarHBondContact O-N 3.45Å |
| 323 | C | 94.8 | Very high | 93.8 | Very high | 55 Ų | 55 | 76.2 Ų | 76.2 | 37% | 0.372 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -143.8 | 7.5 | -173.4 | 72.1 | 0 | 0 | 0 | 0 | 115.1 | C320 K325 H336 H340 | C320-C323 PolarHBondContact O-N 3.38Å; C320-C323 VanDerWaalsContact SG-SG 3.68Å; C323-K325 PolarHBondContact O-N 3.48Å; C323-H336 PolarHBondContact SG-NE2 3.25Å; C323-H340 PolarHBondContact SG-NE2 3.38Å |
| 324 | G | 92 | Very high | 93.7 | Very high | 55 Ų | 55 | 76.3 Ų | 76.3 | 57% | 0.567 | 43% | 0.434 | S | S | * | . | trans | 69.5 | -4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | C320 S326 | C320-G324 VanDerWaalsContact O-CA 3.27Å; C320-G324 WeakPolarHBondContact O-CA 3.44Å; C320-G324 PolarHBondContact O-N 3.49Å; G324-S326 PolarHBondContact O-N 3.46Å | ||
| 325 | K | 94.9 | Very high | 93.7 | Very high | 130 Ų | 130 | 75.9 Ų | 75.9 | 57% | 0.565 | 42% | 0.419 | S | S | * | . | trans | -65.6 | 128.7 | -179.9 | -73.3 | -178.8 | -179.6 | 175.4 | 0 | 111.3 | C320 C323 F327 | C320-K325 WeakPolarHBondContact CB-O 3.19Å; C320-K325 PolarHBondContact N-O 2.78Å; C323-K325 PolarHBondContact O-N 3.48Å; K325-F327 HydrophobicContact CB-CE2 4.01Å; K325-F327 HydrophobicContact CB-CZ 4.11Å; K325-F327 WeakPolarHBondContact O-CE2 3.22Å | ||
| 326 | S | 95.4 | Very high | 93.7 | Very high | 47 Ų | 47 | 71.8 Ų | 71.8 | 33% | 0.329 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 147.2 | 179.9 | -53.8 | 0 | 0 | 0 | 0 | 113.3 | K316 F318 G324 | K316-S326 WeakPolarHBondContact CD-O 3.38Å; F318-S326 CarbonylContact O-C 3.47Å; F318-S326 VanDerWaalsContact O-CA 3.31Å; F318-S326 WeakPolarHBondContact O-CA 3.21Å; G324-S326 PolarHBondContact O-N 3.46Å |
| 327 | F | 94.2 | Very high | 93.6 | Very high | 42 Ų | 42 | 68.1 Ų | 68.1 | 18% | 0.184 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 149.3 | -175.6 | -57.4 | -89 | 0 | 0 | 0 | 111 | K316 F318 K325 L329 H332 L333 H336 | K316-F327 CarbonylContact C-O 3.57Å; K316-F327 VanDerWaalsContact C-O 3.27Å; K316-F327 WeakPolarHBondContact CA-O 3.45Å; F318-F327 WeakPolarHBondContact CD2-O 3.46Å; F318-F327 PolarHBondContact N-O 2.96Å; F318-F327 VanDerWaalsContact N-O 3.16Å; F318-F327 PolarHBondContact O-N 3.31Å; K325-F327 HydrophobicContact CB-CE2 4.01Å; K325-F327 HydrophobicContact CB-CZ 4.11Å; K325-F327 WeakPolarHBondContact O-CE2 3.22Å; F327-L329 VanDerWaalsContact C-N 3.3Å; F327-H332 HydrophobicContact CB-CB 4.09Å; F327-H332 HydrophobicContact CD1-CB 3.81Å; F327-H332 HydrophobicContact CG-CB 4.15Å; F327-L333 HydrophobicContact CB-CB 4.46Å; F327-L333 HydrophobicContact CD2-CB 3.9Å; F327-L333 HydrophobicContact CD2-CD1 3.93Å; F327-L333 HydrophobicContact CE2-CD1 4.04Å; F327-L333 HydrophobicContact CG-CB 4.4Å; F327-H336 HydrophobicContact CE1-CB 4.09Å; F327-H336 HydrophobicContact CE2-CB 3.79Å; F327-H336 AromaticContact CE2-CD2 3.58Å; F327-H336 AromaticContact CE2-CG 3.64Å; F327-H336 HydrophobicContact CZ-CB 3.43Å; F327-H336 VanDerWaalsContact CZ-CB 3.43Å; F327-H336 AromaticContact CZ-CD2 3.66Å; F327-H336 AromaticContact CZ-CG 3.28Å; F327-H336 AromaticContact CZ-ND1 3.73Å |
| 328 | S | 92.5 | Very high | 93.6 | Very high | 35 Ų | 35 | 66 Ų | 66 | 25% | 0.245 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -79.2 | -13.4 | 176.6 | 56.1 | 0 | 0 | 0 | 0 | 113.4 | R310 | R310-S328 PolarHBondContact NH1-O 3.19Š|
| 329 | L | 92 | Very high | 93.3 | Very high | 51 Ų | 51 | 69 Ų | 69 | 27% | 0.267 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -133.7 | 135.4 | -178.2 | -76.3 | 175.8 | 0 | 0 | 0 | 111.3 | L307 F318 F327 Q331 H332 L333 | L307-L329 HydrophobicContact CD1-CD1 4.39Å; L307-L329 HydrophobicContact CD1-CD2 3.27Å; L307-L329 HydrophobicContact CD1-CG 3.76Å; L307-L329 HydrophobicContact CD2-CD1 4.22Å; L307-L329 HydrophobicContact CD2-CD2 3.72Å; L307-L329 HydrophobicContact CD2-CG 4.37Å; L307-L329 HydrophobicContact CG-CD2 4.12Å; F318-L329 VanDerWaalsContact CD2-C 3.45Å; F327-L329 VanDerWaalsContact C-N 3.3Å; L329-Q331 VanDerWaalsContact C-N 3.3Å; L329-Q331 PolarHBondContact O-N 3.24Å; L329-H332 HydrophobicContact CB-CB 4.42Å; L329-H332 WeakPolarHBondContact O-CB 3.35Å; L329-H332 PolarHBondContact O-N 3.2Å; L329-H332 VanDerWaalsContact O-N 3.11Å; L329-L333 PolarHBondContact O-N 3.1Å |
| 330 | R | 92.9 | Very high | 93.1 | Very high | 180 Ų | 180 | 69.3 Ų | 69.3 | 68% | 0.679 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -58.4 | -40.3 | 176.6 | -173.7 | 173.6 | -179.4 | 168.9 | 1.7 | 112.6 | F318 H332 L333 T334 | F318-R330 HydrophobicContact CD1-CB 4.03Å; F318-R330 HydrophobicContact CD1-CG 4.42Å; F318-R330 HydrophobicContact CD2-CB 4.46Å; F318-R330 HydrophobicContact CE1-CB 3.91Å; F318-R330 HydrophobicContact CE1-CG 4.47Å; F318-R330 HydrophobicContact CE2-CB 4.34Å; F318-R330 HydrophobicContact CG-CB 4.3Å; F318-R330 HydrophobicContact CZ-CB 4.07Å; R330-H332 VanDerWaalsContact C-N 3.27Å; R330-H332 PolarHBondContact O-N 3.13Å; R330-L333 WeakPolarHBondContact O-CB 3.39Å; R330-L333 PolarHBondContact O-N 3.31Å; R330-L333 VanDerWaalsContact O-N 3.1Å; R330-T334 PolarHBondContact O-N 2.79Å; R330-T334 PolarHBondContact O-OG1 3.04Å |
| 331 | Q | 91.1 | Very high | 92.9 | Very high | 125 Ų | 125 | 72.8 Ų | 72.8 | 58% | 0.584 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -57.8 | -40.3 | 176.9 | -178.6 | -176.4 | -15.8 | 0 | 0 | 111.9 | L329 L333 T334 E335 | L329-Q331 VanDerWaalsContact C-N 3.3Å; L329-Q331 PolarHBondContact O-N 3.24Å; Q331-L333 VanDerWaalsContact C-N 3.33Å; Q331-L333 PolarHBondContact O-N 3.44Å; Q331-T334 PolarHBondContact O-N 3.28Å; Q331-E335 HydrophobicContact CG-CG 4.47Å; Q331-E335 PolarHBondContact NE2-OE1 3.36Å; Q331-E335 WeakPolarHBondContact O-CB 3.42Å; Q331-E335 WeakPolarHBondContact O-CG 3.46Å; Q331-E335 PolarHBondContact O-N 2.95Å |
| 332 | H | 93.1 | Very high | 92.7 | Very high | 80 Ų | 80 | 71.2 Ų | 71.2 | 37% | 0.37 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.7 | -35.7 | 178.3 | -64.6 | 171.2 | 0 | 0 | 0 | 111.9 | F327 L329 R330 H336 | F327-H332 HydrophobicContact CB-CB 4.09Å; F327-H332 HydrophobicContact CD1-CB 3.81Å; F327-H332 HydrophobicContact CG-CB 4.15Å; L329-H332 HydrophobicContact CB-CB 4.42Å; L329-H332 WeakPolarHBondContact O-CB 3.35Å; L329-H332 PolarHBondContact O-N 3.2Å; L329-H332 VanDerWaalsContact O-N 3.11Å; R330-H332 VanDerWaalsContact C-N 3.27Å; R330-H332 PolarHBondContact O-N 3.13Å; H332-H336 WeakPolarHBondContact O-CB 3.38Å; H332-H336 PolarHBondContact O-N 3.25Å |
| 333 | L | 94.9 | Very high | 92.7 | Very high | 29 Ų | 29 | 71 Ų | 71 | 15% | 0.152 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.4 | -49 | 171.4 | 172.9 | 61.9 | 0 | 0 | 0 | 111 | F318 S319 C320 F327 L329 R330 Q331 E335 H336 V337 | F318-L333 HydrophobicContact CB-CB 4.12Å; F318-L333 HydrophobicContact CB-CD2 3.85Å; S319-L333 WeakPolarHBondContact O-CD2 3.25Å; C320-L333 HydrophobicContact CB-CD1 3.61Å; F327-L333 HydrophobicContact CB-CB 4.46Å; F327-L333 HydrophobicContact CD2-CB 3.9Å; F327-L333 HydrophobicContact CD2-CD1 3.93Å; F327-L333 HydrophobicContact CE2-CD1 4.04Å; F327-L333 HydrophobicContact CG-CB 4.4Å; L329-L333 PolarHBondContact O-N 3.1Å; R330-L333 WeakPolarHBondContact O-CB 3.39Å; R330-L333 PolarHBondContact O-N 3.31Å; R330-L333 VanDerWaalsContact O-N 3.1Å; Q331-L333 VanDerWaalsContact C-N 3.33Å; Q331-L333 PolarHBondContact O-N 3.44Å; L333-E335 VanDerWaalsContact C-N 3.3Å; L333-E335 PolarHBondContact O-N 2.81Å; L333-H336 CarbonylContact O-C 3.57Å; L333-H336 WeakPolarHBondContact O-CA 3.4Å; L333-H336 WeakPolarHBondContact O-CB 3.22Å; L333-H336 PolarHBondContact O-N 3.04Å; L333-V337 HydrophobicContact CD1-CG2 4.02Å; L333-V337 HydrophobicContact CG-CG2 4.43Å; L333-V337 WeakPolarHBondContact O-CG2 3.38Å; L333-V337 PolarHBondContact O-N 3.42Å |
| 334 | T | 92.8 | Very high | 92.6 | Very high | 82 Ų | 82 | 74.4 Ų | 74.4 | 50% | 0.503 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -57.7 | -44 | 177.1 | -55.9 | 0 | 0 | 0 | 0 | 111.5 | R330 Q331 H336 V337 M338 | R330-T334 PolarHBondContact O-N 2.79Å; R330-T334 PolarHBondContact O-OG1 3.04Å; Q331-T334 PolarHBondContact O-N 3.28Å; T334-H336 VanDerWaalsContact C-N 3.3Å; T334-H336 PolarHBondContact O-N 3.45Å; T334-V337 PolarHBondContact O-N 3.08Å; T334-M338 PolarHBondContact O-N 3.4Å |
| 335 | E | 91.4 | Very high | 92.6 | Very high | 39 Ų | 39 | 75.6 Ų | 75.6 | 18% | 0.182 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.2 | -34.8 | 175.4 | -73.5 | 179.4 | -162.1 | 0 | 0 | 113.5 | Q331 L333 M338 R357 | Q331-E335 HydrophobicContact CG-CG 4.47Å; Q331-E335 PolarHBondContact NE2-OE1 3.36Å; Q331-E335 WeakPolarHBondContact O-CB 3.42Å; Q331-E335 WeakPolarHBondContact O-CG 3.46Å; Q331-E335 PolarHBondContact O-N 2.95Å; L333-E335 VanDerWaalsContact C-N 3.3Å; L333-E335 PolarHBondContact O-N 2.81Å; E335-M338 HydrophobicContact CB-CE 4.16Å; E335-M338 HydrophobicContact CG-CE 3.98Å; E335-R357 IonicContact OE2-CZ 3.4Å; E335-R357 IonicContact OE2-NE 2.78Å; E335-R357 PolarHBondContact OE2-NE 3.42Å; E335-R357 IonicContact OE2-NH2 2.77Å; E335-R357 PolarHBondContact OE2-NH2 2.75Å |
| 336 | H | 93.5 | Very high | 92.5 | Very high | 20 Ų | 20 | 72.8 Ų | 72.8 | 9% | 0.093 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -70.6 | -40 | 176.1 | 172.3 | 69.1 | 0 | 0 | 0 | 112.1 | C323 F327 H332 L333 T334 M338 I339 H340 | C323-H336 PolarHBondContact SG-NE2 3.25Å; F327-H336 HydrophobicContact CE1-CB 4.09Å; F327-H336 HydrophobicContact CE2-CB 3.79Å; F327-H336 AromaticContact CE2-CD2 3.58Å; F327-H336 AromaticContact CE2-CG 3.64Å; F327-H336 HydrophobicContact CZ-CB 3.43Å; F327-H336 VanDerWaalsContact CZ-CB 3.43Å; F327-H336 AromaticContact CZ-CD2 3.66Å; F327-H336 AromaticContact CZ-CG 3.28Å; F327-H336 AromaticContact CZ-ND1 3.73Å; H332-H336 WeakPolarHBondContact O-CB 3.38Å; H332-H336 PolarHBondContact O-N 3.25Å; L333-H336 CarbonylContact O-C 3.57Å; L333-H336 WeakPolarHBondContact O-CA 3.4Å; L333-H336 WeakPolarHBondContact O-CB 3.22Å; L333-H336 PolarHBondContact O-N 3.04Å; T334-H336 VanDerWaalsContact C-N 3.3Å; T334-H336 PolarHBondContact O-N 3.45Å; H336-M338 PolarHBondContact O-N 2.89Å; H336-I339 WeakPolarHBondContact O-CB 3.27Å; H336-I339 WeakPolarHBondContact O-CG1 3.45Å; H336-I339 PolarHBondContact O-N 3.03Å; H336-H340 AromaticContact CD2-NE2 3.83Å; H336-H340 AromaticContact CE1-NE2 3.6Å; H336-H340 AromaticContact NE2-CD2 3.89Å; H336-H340 AromaticContact NE2-CE1 3.96Å; H336-H340 AromaticContact NE2-NE2 3.04Å; H336-H340 PolarHBondContact NE2-NE2 2.84Å |
| 337 | V | 93.2 | Very high | 92.4 | Very high | 47 Ų | 47 | 73.6 Ų | 73.6 | 29% | 0.285 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.8 | -32.6 | 178.9 | 169.9 | 0 | 0 | 0 | 0 | 111.7 | L333 T334 I339 H340 T341 | L333-V337 HydrophobicContact CD1-CG2 4.02Å; L333-V337 HydrophobicContact CG-CG2 4.43Å; L333-V337 WeakPolarHBondContact O-CG2 3.38Å; L333-V337 PolarHBondContact O-N 3.42Å; T334-V337 PolarHBondContact O-N 3.08Å; V337-I339 PolarHBondContact O-N 3.33Å; V337-H340 WeakPolarHBondContact O-CB 3.34Å; V337-H340 PolarHBondContact O-N 3.45Å; V337-T341 HydrophobicContact CG1-CG2 4.12Å; V337-T341 PolarHBondContact O-N 2.86Å; V337-T341 VanDerWaalsContact O-N 3.11Å |
| 338 | M | 92.8 | Very high | 92.5 | Very high | 30 Ų | 30 | 71.7 Ų | 71.7 | 15% | 0.148 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59 | -19.5 | 173.4 | -69.5 | -169.9 | -79.8 | 0 | 0 | 113.9 | T334 E335 H336 T341 G342 E343 P345 S356 | T334-M338 PolarHBondContact O-N 3.4Å; E335-M338 HydrophobicContact CB-CE 4.16Å; E335-M338 HydrophobicContact CG-CE 3.98Å; H336-M338 PolarHBondContact O-N 2.89Å; M338-T341 WeakPolarHBondContact CA-OG1 3.37Å; M338-G342 WeakPolarHBondContact O-CA 3.4Å; M338-G342 PolarHBondContact O-N 3.33Å; M338-E343 HydrophobicContact CG-CB 4.42Å; M338-P345 HydrophobicContact SD-CG 4.11Å; M338-S356 WeakPolarHBondContact CE-O 3.42Å |
| 339 | I | 91.1 | Very high | 92.4 | Very high | 124 Ų | 124 | 77 Ų | 77 | 64% | 0.636 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -71.8 | -37.1 | 174 | -57 | 173 | 0 | 0 | 0 | 110.4 | H336 V337 | H336-I339 WeakPolarHBondContact O-CB 3.27Å; H336-I339 WeakPolarHBondContact O-CG1 3.45Å; H336-I339 PolarHBondContact O-N 3.03Å; V337-I339 PolarHBondContact O-N 3.33Å |
| 340 | H | 91.8 | Very high | 92.3 | Very high | 79 Ų | 79 | 78.8 Ų | 78.8 | 37% | 0.366 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -77.2 | -40.4 | 179.4 | -59.8 | -56.1 | 0 | 0 | 0 | 111.7 | C323 H336 V337 | C323-H340 PolarHBondContact SG-NE2 3.38Å; H336-H340 AromaticContact CD2-NE2 3.83Å; H336-H340 AromaticContact CE1-NE2 3.6Å; H336-H340 AromaticContact NE2-CD2 3.89Å; H336-H340 AromaticContact NE2-CE1 3.96Å; H336-H340 AromaticContact NE2-NE2 3.04Å; H336-H340 PolarHBondContact NE2-NE2 2.84Å; V337-H340 WeakPolarHBondContact O-CB 3.34Å; V337-H340 PolarHBondContact O-N 3.45Å |
| 341 | T | 90.9 | Very high | 92.4 | Very high | 76 Ų | 76 | 72.9 Ų | 72.9 | 47% | 0.466 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -80.6 | -18.2 | -179.5 | 62.8 | 0 | 0 | 0 | 0 | 113.1 | V337 M338 E343 | V337-T341 HydrophobicContact CG1-CG2 4.12Å; V337-T341 PolarHBondContact O-N 2.86Å; V337-T341 VanDerWaalsContact O-N 3.11Å; M338-T341 WeakPolarHBondContact CA-OG1 3.37Å; T341-E343 PolarHBondContact O-N 2.88Å; T341-E343 WeakPolarHBondContact OG1-CG 3.48Å; T341-E343 PolarHBondContact OG1-N 2.99Å |
| 342 | G | 90.1 | Very high | 92.4 | Very high | 49 Ų | 49 | 69.5 Ų | 69.5 | 51% | 0.505 | 41% | 0.407 | S | S | . | . | trans | 71 | 5.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114 | M338 K344 | M338-G342 WeakPolarHBondContact O-CA 3.4Å; M338-G342 PolarHBondContact O-N 3.33Å; G342-K344 PolarHBondContact O-N 3.31Å | ||
| 343 | E | 91.8 | Very high | 92.4 | Very high | 117 Ų | 117 | 71.9 Ų | 71.9 | 55% | 0.547 | 42% | 0.416 | S | S | . | . | trans | -61.4 | 131.2 | -179.3 | -75.5 | -178.4 | -176.1 | 0 | 0 | 111.9 | M338 T341 | M338-E343 HydrophobicContact CG-CB 4.42Å; T341-E343 PolarHBondContact O-N 2.88Å; T341-E343 WeakPolarHBondContact OG1-CG 3.48Å; T341-E343 PolarHBondContact OG1-N 2.99Å | ||
| 344 | K | 91.8 | Very high | 92.4 | Very high | 125 Ų | 125 | 72.5 Ų | 72.5 | 54% | 0.543 | 42% | 0.423 | S | S | . | . | trans | -131.7 | 79.1 | 178.3 | -69.6 | 174.8 | 180 | 179.9 | 0 | 109.9 | G342 F346 S354 F355 | G342-K344 PolarHBondContact O-N 3.31Å; K344-F346 PolarHBondContact O-N 2.63Å; K344-F346 VanDerWaalsContact O-N 3.08Å; K344-S354 WeakPolarHBondContact CD-O 3.39Å; K344-F355 CarbonylContact C-O 3.23Å; K344-F355 WeakPolarHBondContact CA-O 3.3Å | ||
| 345 | P | 91.6 | Very high | 92.3 | Very high | 80 Ų | 80 | 70.6 Ų | 70.6 | 52% | 0.519 | 41% | 0.408 | S | S | . | . | trans | -66 | -16.5 | -170.5 | -21.2 | 33.1 | 0 | 0 | 0 | 114.4 | M338 | M338-P345 HydrophobicContact SD-CG 4.11Š| ||
| 346 | F | 93.7 | Very high | 92.2 | Very high | 71 Ų | 71 | 70.7 Ų | 70.7 | 31% | 0.311 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 98.3 | -171.8 | -55.2 | -75.4 | 0 | 0 | 0 | 110.8 | K344 S354 F355 K358 L361 | K344-F346 PolarHBondContact O-N 2.63Å; K344-F346 VanDerWaalsContact O-N 3.08Å; F346-S354 CarbonylContact O-C 3.5Å; F346-S354 WeakPolarHBondContact O-CA 3.43Å; F346-F355 HydrophobicContact CB-CB 4.48Å; F346-F355 WeakPolarHBondContact CB-O 3.39Å; F346-F355 WeakPolarHBondContact CD2-O 3.49Å; F346-F355 PolarHBondContact N-O 3.09Å; F346-F355 VanDerWaalsContact N-O 3.14Å; F346-F355 PolarHBondContact O-N 3.16Å; F346-K358 HydrophobicContact CD1-CB 3.99Å; F346-K358 HydrophobicContact CD1-CG 4.36Å; F346-K358 HydrophobicContact CE1-CB 3.84Å; F346-K358 HydrophobicContact CE1-CG 4.37Å; F346-K358 HydrophobicContact CE2-CB 4.42Å; F346-K358 HydrophobicContact CG-CB 4.35Å; F346-K358 HydrophobicContact CZ-CB 4.06Å; F346-L361 HydrophobicContact CB-CB 4.12Å; F346-L361 HydrophobicContact CB-CD2 3.89Å |
| 347 | S | 94.2 | Very high | 92 | Very high | 64 Ų | 64 | 74.2 Ų | 74.2 | 45% | 0.448 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 139.7 | -179.1 | -59.4 | 0 | 0 | 0 | 0 | 112.5 | S354 | S347-S354 PolarHBondContact OG-OG 3.2Å |
| 348 | C | 94.6 | Very high | 91.9 | Very high | 2 Ų | 2 | 78.8 Ų | 78.8 | 1% | 0.014 | 44% | 0.441 | C | S | . | . | trans | -79.5 | 118.9 | 169.2 | 178.5 | 0 | 0 | 0 | 0 | 109.4 | S350 G352 K353 L361 H364 H368 | C348-S350 VanDerWaalsContact C-N 3.27Å; C348-S350 PolarHBondContact O-N 2.86Å; C348-G352 VanDerWaalsContact O-CA 3.23Å; C348-G352 WeakPolarHBondContact O-CA 3.4Å; C348-G352 PolarHBondContact O-N 3.44Å; C348-K353 WeakPolarHBondContact CB-O 3.44Å; C348-K353 PolarHBondContact N-O 2.74Å; C348-L361 HydrophobicContact CB-CD1 3.76Å; C348-H364 PolarHBondContact SG-NE2 2.9Å; C348-H368 PolarHBondContact SG-NE2 3.3Å; C348-H368 VanDerWaalsContact SG-NE2 3.41Å | ||
| 349 | V | 91.9 | Very high | 91.8 | Very high | 147 Ų | 147 | 85.4 Ų | 85.4 | 89% | 0.891 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -34.3 | 178.3 | -176.1 | 0 | 0 | 0 | 0 | 111.4 | ||
| 350 | S | 90.4 | Very high | 91.9 | Very high | 89 Ų | 89 | 81.8 Ų | 81.8 | 62% | 0.622 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -29.3 | -175.4 | -48.4 | 0 | 0 | 0 | 0 | 114.4 | C348 | C348-S350 VanDerWaalsContact C-N 3.27Å; C348-S350 PolarHBondContact O-N 2.86Å |
| 351 | C | 94.2 | Very high | 92 | Very high | 55 Ų | 55 | 79.2 Ų | 79.2 | 37% | 0.372 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -137.9 | 7.4 | -175.8 | 73.3 | 0 | 0 | 0 | 0 | 114.8 | K353 H364 | C351-K353 PolarHBondContact O-N 3.1Å; C351-H364 PolarHBondContact SG-NE2 2.97Å |
| 352 | G | 91.1 | Very high | 92.1 | Very high | 55 Ų | 55 | 78.7 Ų | 78.7 | 57% | 0.567 | 43% | 0.432 | S | S | * | . | trans | 71 | -6.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | C348 S354 | C348-G352 VanDerWaalsContact O-CA 3.23Å; C348-G352 WeakPolarHBondContact O-CA 3.4Å; C348-G352 PolarHBondContact O-N 3.44Å; G352-S354 PolarHBondContact O-N 3.09Å | ||
| 353 | K | 93.1 | Very high | 92.2 | Very high | 129 Ų | 129 | 82.1 Ų | 82.1 | 56% | 0.561 | 43% | 0.434 | S | S | * | . | trans | -64.9 | 127.9 | -178.8 | -72.1 | -176.8 | -179.3 | 179 | 0 | 111.6 | C348 C351 F355 | C348-K353 WeakPolarHBondContact CB-O 3.44Å; C348-K353 PolarHBondContact N-O 2.74Å; C351-K353 PolarHBondContact O-N 3.1Å; K353-F355 HydrophobicContact CB-CE2 3.96Å; K353-F355 HydrophobicContact CB-CZ 4.05Å; K353-F355 WeakPolarHBondContact O-CE2 3.33Å | ||
| 354 | S | 93.8 | Very high | 92.2 | Very high | 43 Ų | 43 | 77.3 Ų | 77.3 | 30% | 0.301 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 149 | 178.2 | -50 | 0 | 0 | 0 | 0 | 112.7 | K344 F346 S347 G352 | K344-S354 WeakPolarHBondContact CD-O 3.39Å; F346-S354 CarbonylContact O-C 3.5Å; F346-S354 WeakPolarHBondContact O-CA 3.43Å; S347-S354 PolarHBondContact OG-OG 3.2Å; G352-S354 PolarHBondContact O-N 3.09Å |
| 355 | F | 91.9 | Very high | 92.2 | Very high | 42 Ų | 42 | 74.5 Ų | 74.5 | 18% | 0.184 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 149 | -177.2 | -57 | -89.6 | 0 | 0 | 0 | 110.6 | K344 F346 K353 R357 N360 L361 H364 | K344-F355 CarbonylContact C-O 3.23Å; K344-F355 WeakPolarHBondContact CA-O 3.3Å; F346-F355 HydrophobicContact CB-CB 4.48Å; F346-F355 WeakPolarHBondContact CB-O 3.39Å; F346-F355 WeakPolarHBondContact CD2-O 3.49Å; F346-F355 PolarHBondContact N-O 3.09Å; F346-F355 VanDerWaalsContact N-O 3.14Å; F346-F355 PolarHBondContact O-N 3.16Å; K353-F355 HydrophobicContact CB-CE2 3.96Å; K353-F355 HydrophobicContact CB-CZ 4.05Å; K353-F355 WeakPolarHBondContact O-CE2 3.33Å; F355-R357 VanDerWaalsContact C-N 3.33Å; F355-N360 HydrophobicContact CB-CB 4.19Å; F355-N360 HydrophobicContact CD1-CB 3.91Å; F355-N360 HydrophobicContact CG-CB 4.27Å; F355-L361 HydrophobicContact CB-CB 4.49Å; F355-L361 HydrophobicContact CD2-CB 3.93Å; F355-L361 HydrophobicContact CD2-CD1 3.92Å; F355-L361 HydrophobicContact CE2-CD1 4.02Å; F355-L361 HydrophobicContact CG-CB 4.41Å; F355-H364 HydrophobicContact CE1-CB 4.09Å; F355-H364 HydrophobicContact CE2-CB 3.84Å; F355-H364 AromaticContact CE2-CD2 3.59Å; F355-H364 AromaticContact CE2-CG 3.64Å; F355-H364 HydrophobicContact CZ-CB 3.46Å; F355-H364 VanDerWaalsContact CZ-CB 3.46Å; F355-H364 AromaticContact CZ-CD2 3.71Å; F355-H364 AromaticContact CZ-CG 3.29Å; F355-H364 AromaticContact CZ-ND1 3.71Å |
| 356 | S | 89 | Confident | 92.2 | Very high | 40 Ų | 40 | 74.8 Ų | 74.8 | 28% | 0.28 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -79.1 | -15.4 | 175 | 55 | 0 | 0 | 0 | 0 | 113.2 | M338 | M338-S356 WeakPolarHBondContact CE-O 3.42Š|
| 357 | R | 89.5 | Confident | 92 | Very high | 94 Ų | 94 | 77.3 Ų | 77.3 | 36% | 0.355 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -130.7 | 134.4 | -179.3 | -68.4 | 177.8 | 170 | 153.2 | -1 | 111.5 | E335 F355 R359 N360 L361 | E335-R357 IonicContact OE2-CZ 3.4Å; E335-R357 IonicContact OE2-NE 2.78Å; E335-R357 PolarHBondContact OE2-NE 3.42Å; E335-R357 IonicContact OE2-NH2 2.77Å; E335-R357 PolarHBondContact OE2-NH2 2.75Å; F355-R357 VanDerWaalsContact C-N 3.33Å; R357-R359 VanDerWaalsContact C-N 3.29Å; R357-R359 PolarHBondContact O-N 3.35Å; R357-N360 HydrophobicContact CB-CB 4.43Å; R357-N360 WeakPolarHBondContact O-CB 3.42Å; R357-N360 PolarHBondContact O-N 3.29Å; R357-L361 PolarHBondContact O-N 3.2Å |
| 358 | K | 91.3 | Very high | 91.7 | Very high | 143 Ų | 143 | 78.4 Ų | 78.4 | 62% | 0.622 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -55.3 | -41.1 | 175.3 | -172.3 | 175.5 | -178.3 | 176.4 | 0 | 113 | F346 N360 L361 T362 | F346-K358 HydrophobicContact CD1-CB 3.99Å; F346-K358 HydrophobicContact CD1-CG 4.36Å; F346-K358 HydrophobicContact CE1-CB 3.84Å; F346-K358 HydrophobicContact CE1-CG 4.37Å; F346-K358 HydrophobicContact CE2-CB 4.42Å; F346-K358 HydrophobicContact CG-CB 4.35Å; F346-K358 HydrophobicContact CZ-CB 4.06Å; K358-N360 PolarHBondContact O-N 2.83Å; K358-L361 WeakPolarHBondContact O-CB 3.35Å; K358-L361 PolarHBondContact O-N 3.43Å; K358-L361 VanDerWaalsContact O-N 3.17Å; K358-T362 PolarHBondContact O-N 3.1Å; K358-T362 PolarHBondContact O-OG1 3.37Å; K358-T362 VanDerWaalsContact O-OG1 3.14Å |
| 359 | R | 91 | Very high | 91.4 | Very high | 170 Ų | 170 | 82.5 Ų | 82.5 | 64% | 0.642 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -51.8 | -44.9 | 174.2 | 162.1 | 171 | 67.4 | 153.4 | -6.3 | 112 | R357 T362 Q363 | R357-R359 VanDerWaalsContact C-N 3.29Å; R357-R359 PolarHBondContact O-N 3.35Å; R359-T362 PolarHBondContact O-N 3.1Å; R359-Q363 WeakPolarHBondContact O-CB 3.22Å; R359-Q363 PolarHBondContact O-N 2.99Å |
| 360 | N | 93 | Very high | 90.9 | Very high | 48 Ų | 48 | 78.1 Ų | 78.1 | 26% | 0.257 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -70 | -38.6 | -176.2 | -62.6 | 6.1 | 0 | 0 | 0 | 110.1 | F355 R357 K358 Q363 H364 | F355-N360 HydrophobicContact CB-CB 4.19Å; F355-N360 HydrophobicContact CD1-CB 3.91Å; F355-N360 HydrophobicContact CG-CB 4.27Å; R357-N360 HydrophobicContact CB-CB 4.43Å; R357-N360 WeakPolarHBondContact O-CB 3.42Å; R357-N360 PolarHBondContact O-N 3.29Å; K358-N360 PolarHBondContact O-N 2.83Å; N360-Q363 PolarHBondContact O-N 3.09Å; N360-H364 VanDerWaalsContact O-CB 3.25Å; N360-H364 WeakPolarHBondContact O-CB 3.37Å; N360-H364 PolarHBondContact O-N 2.86Å |
| 361 | L | 94 | Very high | 90.6 | Very high | 24 Ų | 24 | 79.7 Ų | 79.7 | 13% | 0.126 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -60.3 | -49.1 | 169.8 | 174.7 | 62.5 | 0 | 0 | 0 | 111.1 | F346 C348 F355 R357 K358 Q363 H364 L365 | F346-L361 HydrophobicContact CB-CB 4.12Å; F346-L361 HydrophobicContact CB-CD2 3.89Å; C348-L361 HydrophobicContact CB-CD1 3.76Å; F355-L361 HydrophobicContact CB-CB 4.49Å; F355-L361 HydrophobicContact CD2-CB 3.93Å; F355-L361 HydrophobicContact CD2-CD1 3.92Å; F355-L361 HydrophobicContact CE2-CD1 4.02Å; F355-L361 HydrophobicContact CG-CB 4.41Å; R357-L361 PolarHBondContact O-N 3.2Å; K358-L361 WeakPolarHBondContact O-CB 3.35Å; K358-L361 PolarHBondContact O-N 3.43Å; K358-L361 VanDerWaalsContact O-N 3.17Å; L361-Q363 VanDerWaalsContact C-N 3.31Å; L361-Q363 PolarHBondContact O-N 3.13Å; L361-H364 CarbonylContact O-C 3.54Å; L361-H364 WeakPolarHBondContact O-CA 3.34Å; L361-H364 WeakPolarHBondContact O-CB 3.29Å; L361-H364 PolarHBondContact O-N 2.96Å; L361-H364 VanDerWaalsContact O-N 3.08Å; L361-L365 HydrophobicContact CD1-CD1 4.47Å; L361-L365 HydrophobicContact CD1-CD2 4.28Å; L361-L365 HydrophobicContact CD1-CG 4.1Å; L361-L365 HydrophobicContact CG-CD1 4.27Å; L361-L365 HydrophobicContact CG-CG 4.34Å; L361-L365 WeakPolarHBondContact O-CG 3.5Å; L361-L365 PolarHBondContact O-N 3.4Å |
| 362 | T | 92.3 | Very high | 89.9 | Confident | 65 Ų | 65 | 86.2 Ų | 86.2 | 40% | 0.399 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -58.9 | -41.3 | 178.4 | -56.4 | 0 | 0 | 0 | 0 | 112.2 | K358 R359 L365 | K358-T362 PolarHBondContact O-N 3.1Å; K358-T362 PolarHBondContact O-OG1 3.37Å; K358-T362 VanDerWaalsContact O-OG1 3.14Å; R359-T362 PolarHBondContact O-N 3.1Å; T362-L365 PolarHBondContact O-N 3.5Å |
| 363 | Q | 91.2 | Very high | 89.2 | Confident | 121 Ų | 121 | 87.1 Ų | 87.1 | 57% | 0.565 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -64.6 | -42.8 | 174.1 | -176.9 | 179.6 | 18.2 | 0 | 0 | 111.4 | R359 N360 L361 R366 | R359-Q363 WeakPolarHBondContact O-CB 3.22Å; R359-Q363 PolarHBondContact O-N 2.99Å; N360-Q363 PolarHBondContact O-N 3.09Å; L361-Q363 VanDerWaalsContact C-N 3.31Å; L361-Q363 PolarHBondContact O-N 3.13Å; Q363-R366 WeakPolarHBondContact O-CB 3.48Å; Q363-R366 PolarHBondContact O-N 3.14Å |
| 364 | H | 92.9 | Very high | 88.5 | Confident | 17 Ų | 17 | 89.1 Ų | 89.1 | 8% | 0.079 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -62.8 | -39.6 | 177.1 | 169.4 | 71.9 | 0 | 0 | 0 | 112.5 | C348 C351 F355 N360 L361 R366 I367 H368 | C348-H364 PolarHBondContact SG-NE2 2.9Å; C351-H364 PolarHBondContact SG-NE2 2.97Å; F355-H364 HydrophobicContact CE1-CB 4.09Å; F355-H364 HydrophobicContact CE2-CB 3.84Å; F355-H364 AromaticContact CE2-CD2 3.59Å; F355-H364 AromaticContact CE2-CG 3.64Å; F355-H364 HydrophobicContact CZ-CB 3.46Å; F355-H364 VanDerWaalsContact CZ-CB 3.46Å; F355-H364 AromaticContact CZ-CD2 3.71Å; F355-H364 AromaticContact CZ-CG 3.29Å; F355-H364 AromaticContact CZ-ND1 3.71Å; N360-H364 VanDerWaalsContact O-CB 3.25Å; N360-H364 WeakPolarHBondContact O-CB 3.37Å; N360-H364 PolarHBondContact O-N 2.86Å; L361-H364 CarbonylContact O-C 3.54Å; L361-H364 WeakPolarHBondContact O-CA 3.34Å; L361-H364 WeakPolarHBondContact O-CB 3.29Å; L361-H364 PolarHBondContact O-N 2.96Å; L361-H364 VanDerWaalsContact O-N 3.08Å; H364-R366 PolarHBondContact O-N 3.44Å; H364-R366 VanDerWaalsContact O-N 3.15Å; H364-I367 VanDerWaalsContact O-CB 3.25Å; H364-I367 WeakPolarHBondContact O-CB 3.46Å; H364-I367 WeakPolarHBondContact O-CG1 3.38Å; H364-I367 PolarHBondContact O-N 3.11Å; H364-H368 AromaticContact CD2-NE2 3.91Å; H364-H368 AromaticContact CE1-NE2 3.57Å; H364-H368 AromaticContact NE2-CD2 3.83Å; H364-H368 AromaticContact NE2-NE2 3.04Å; H364-H368 PolarHBondContact NE2-NE2 3.17Å |
| 365 | L | 91.8 | Very high | 87.5 | Confident | 66 Ų | 66 | 91.8 Ų | 91.8 | 35% | 0.346 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -59 | -27.1 | 178 | -71.2 | 175 | 0 | 0 | 0 | 112.6 | L361 T362 I367 H368 T369 | L361-L365 HydrophobicContact CD1-CD1 4.47Å; L361-L365 HydrophobicContact CD1-CD2 4.28Å; L361-L365 HydrophobicContact CD1-CG 4.1Å; L361-L365 HydrophobicContact CG-CD1 4.27Å; L361-L365 HydrophobicContact CG-CG 4.34Å; L361-L365 WeakPolarHBondContact O-CG 3.5Å; L361-L365 PolarHBondContact O-N 3.4Å; T362-L365 PolarHBondContact O-N 3.5Å; L365-I367 PolarHBondContact O-N 2.91Å; L365-H368 PolarHBondContact O-N 3.09Å; L365-H368 VanDerWaalsContact O-N 3.08Å; L365-T369 PolarHBondContact O-N 3.43Å; L365-T369 PolarHBondContact O-OG1 3.26Å |
| 366 | R | 90.6 | Very high | 86.6 | Confident | 85 Ų | 85 | 94.8 Ų | 94.8 | 32% | 0.321 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.2 | -22.2 | 175 | -60.4 | 178 | -172 | 170.6 | -0.6 | 113.7 | Q363 H364 H368 T369 G370 E371 | Q363-R366 WeakPolarHBondContact O-CB 3.48Å; Q363-R366 PolarHBondContact O-N 3.14Å; H364-R366 PolarHBondContact O-N 3.44Å; H364-R366 VanDerWaalsContact O-N 3.15Å; R366-H368 VanDerWaalsContact C-N 3.3Å; R366-T369 WeakPolarHBondContact CA-OG1 3.44Å; R366-G370 WeakPolarHBondContact O-CA 3.42Å; R366-G370 PolarHBondContact O-N 2.84Å; R366-E371 PolarHBondContact O-N 3.05Å |
| 367 | I | 89.9 | Confident | 85.6 | Confident | 125 Ų | 125 | 99.6 Ų | 99.6 | 64% | 0.641 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.3 | -37.5 | 174.3 | -57.3 | 172.7 | 0 | 0 | 0 | 109.8 | H364 L365 | H364-I367 VanDerWaalsContact O-CB 3.25Å; H364-I367 WeakPolarHBondContact O-CB 3.46Å; H364-I367 WeakPolarHBondContact O-CG1 3.38Å; H364-I367 PolarHBondContact O-N 3.11Å; L365-I367 PolarHBondContact O-N 2.91Å |
| 368 | H | 89.3 | Confident | 84.2 | Confident | 87 Ų | 87 | 101.6 Ų | 101.6 | 40% | 0.403 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -76 | -36.1 | 178.7 | -60.7 | -57 | 0 | 0 | 0 | 112.3 | C348 H364 L365 R366 | C348-H368 PolarHBondContact SG-NE2 3.3Å; C348-H368 VanDerWaalsContact SG-NE2 3.41Å; H364-H368 AromaticContact CD2-NE2 3.91Å; H364-H368 AromaticContact CE1-NE2 3.57Å; H364-H368 AromaticContact NE2-CD2 3.83Å; H364-H368 AromaticContact NE2-NE2 3.04Å; H364-H368 PolarHBondContact NE2-NE2 3.17Å; L365-H368 PolarHBondContact O-N 3.09Å; L365-H368 VanDerWaalsContact O-N 3.08Å; R366-H368 VanDerWaalsContact C-N 3.3Å |
| 369 | T | 86.8 | Confident | 82.3 | Confident | 87 Ų | 87 | 102.7 Ų | 102.7 | 53% | 0.534 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -86.6 | -13.7 | -179.3 | 61.4 | 0 | 0 | 0 | 0 | 113.6 | L365 R366 E371 | L365-T369 PolarHBondContact O-N 3.43Å; L365-T369 PolarHBondContact O-OG1 3.26Å; R366-T369 WeakPolarHBondContact CA-OG1 3.44Å; T369-E371 PolarHBondContact O-N 2.81Å; T369-E371 WeakPolarHBondContact OG1-CG 3.45Å |
| 370 | G | 82.3 | Confident | 80.3 | Confident | 55 Ų | 55 | 104.5 Ų | 104.5 | 57% | 0.567 | 57% | 0.567 | S | S | * | * | trans | 69.6 | 6.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | R366 K372 | R366-G370 WeakPolarHBondContact O-CA 3.42Å; R366-G370 PolarHBondContact O-N 2.84Å; G370-K372 PolarHBondContact O-N 3.39Å | ||
| 371 | E | 83.6 | Confident | 79.7 | Confident | 123 Ų | 123 | 107.3 Ų | 107.3 | 58% | 0.575 | 58% | 0.582 | S | S | * | * | trans | -65.8 | 117.3 | -177.7 | -74.5 | 179.4 | 179 | 0 | 0 | 111.6 | R366 T369 P373 | R366-E371 PolarHBondContact O-N 3.05Å; T369-E371 PolarHBondContact O-N 2.81Å; T369-E371 WeakPolarHBondContact OG1-CG 3.45Å; E371-P373 WeakPolarHBondContact O-CD 3.23Å | ||
| 372 | K | 80.1 | Confident | 78.9 | Confident | 191 Ų | 191 | 111.7 Ų | 111.7 | 83% | 0.83 | 61% | 0.606 | S | S | * | * | trans | -110.5 | 79.5 | 170.7 | -68.4 | -175.9 | -177.6 | 176.5 | 0 | 110.4 | G370 F374 | G370-K372 PolarHBondContact O-N 3.39Å; K372-F374 PolarHBondContact O-N 3.17Å; K372-F374 VanDerWaalsContact O-N 3.14Å | ||
| 373 | P | 76.5 | Confident | 78.2 | Confident | 75 Ų | 75 | 114.3 Ų | 114.3 | 49% | 0.487 | 62% | 0.618 | S | S | . | * | trans | -71.1 | -5.4 | -176.6 | 26.3 | -33.5 | 0 | 0 | 0 | 114.4 | E371 | E371-P373 WeakPolarHBondContact O-CD 3.23Š| ||
| 374 | F | 77.2 | Confident | 77.4 | Confident | 171 Ų | 171 | 113.9 Ų | 113.9 | 75% | 0.75 | 62% | 0.621 | S | S | * | * | trans | -118.9 | 103.9 | 176.8 | -53.5 | -69.5 | 0 | 0 | 0 | 108.5 | K372 | K372-F374 PolarHBondContact O-N 3.17Å; K372-F374 VanDerWaalsContact O-N 3.14Å | ||
| 375 | S | 73.3 | Confident | 76.5 | Confident | 99 Ų | 99 | 119.9 Ų | 119.9 | 69% | 0.692 | 66% | 0.655 | S | S | * | * | trans | -89.7 | 135.6 | 168 | 39.7 | 0 | 0 | 0 | 0 | 109.3 | N377 | S375-N377 PolarHBondContact O-N 3.49Š| ||
| 376 | C | 72.9 | Confident | 75.4 | Confident | 105 Ų | 105 | 123.5 Ų | 123.5 | 71% | 0.709 | 68% | 0.675 | S | S | * | * | trans | -84.4 | 100.3 | 172 | -149.8 | 0 | 0 | 0 | 0 | 107.6 | N378 | C376-N378 PolarHBondContact O-N 3.33Å; C376-N378 VanDerWaalsContact O-N 3.1Å; C376-N378 PolarHBondContact SG-OD1 3.38Å | ||
| 377 | N | 67.5 | Low | 74.4 | Confident | 140 Ų | 140 | 126.3 Ų | 126.3 | 75% | 0.749 | 70% | 0.701 | S | S | * | * | trans | -82.1 | 77.7 | 168.5 | -75.3 | 7.2 | 0 | 0 | 0 | 108.1 | S375 L379 | S375-N377 PolarHBondContact O-N 3.49Å; N377-L379 PolarHBondContact O-N 3.38Å | ||
| 378 | N | 59.9 | Low | 73.2 | Confident | 137 Ų | 137 | 126.4 Ų | 126.4 | 73% | 0.733 | 71% | 0.705 | S | S | * | * | trans | -77.6 | 97.5 | 164.2 | -73.7 | -19 | 0 | 0 | 0 | 107.1 | C376 T380 | C376-N378 PolarHBondContact O-N 3.33Å; C376-N378 VanDerWaalsContact O-N 3.1Å; C376-N378 PolarHBondContact SG-OD1 3.38Å; N378-T380 PolarHBondContact O-N 2.97Å | ||
| 379 | L | 53 | Low | 71.8 | Confident | 166 Ų | 166 | 129.7 Ų | 129.7 | 87% | 0.869 | 73% | 0.73 | S | S | * | * | trans | -66.5 | 115.9 | 158 | -82.3 | 150.5 | 0 | 0 | 0 | 106.9 | N377 | N377-L379 PolarHBondContact O-N 3.38Š| ||
| 380 | T | 48.8 | Very low | 70.5 | Confident | 207 Ų | 207 | 133.5 Ų | 133.5 | 100% | 1.27 | 75% | 0.748 | S | S | * | * | trans | -57.5 | 0 | 163.1 | 44.5 | 0 | 0 | 0 | 0 | 111.7 | N378 | N378-T380 PolarHBondContact O-N 2.97Š|
Retrieved 380 of 380 residues in 99.9 ms
(Link to these results)