| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 32.8 | Very low | 33.6 | Very low | 221 Ų | 221 | 147.2 Ų | 147.2 | 100% | 1.089 | 76% | 0.761 | S | S | * | * | 0 | 75.2 | 0 | -70.8 | 168.4 | 70.4 | 0 | 0 | 106.2 | |||||
| 2 | D | 33.3 | Very low | 33.7 | Very low | 139 Ų | 139 | 146.3 Ų | 146.3 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | 78.6 | 129.7 | 89.3 | -70 | -31.3 | 0 | 0 | 0 | 108.9 | |||||
| 3 | L | 32.7 | Very low | 33.4 | Very low | 118 Ų | 118 | 151.1 Ų | 151.1 | 62% | 0.618 | 77% | 0.768 | S | S | * | * | cis | -174.6 | 135.2 | 20.4 | -131.8 | 114.5 | 0 | 0 | 0 | 105.8 | ||||
| 4 | Y | 33.4 | Very low | 33.4 | Very low | 198 Ų | 198 | 152.1 Ų | 152.1 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | 68.8 | 159.3 | 136.9 | -72.2 | -128.5 | 0 | 0 | 0 | 120.4 | ||||
| 5 | L | 36.5 | Very low | 33.1 | Very low | 129 Ų | 129 | 148.3 Ų | 148.3 | 68% | 0.675 | 77% | 0.767 | S | S | * | * | cis | 174.2 | 133.5 | -24.3 | -160 | 80.6 | 0 | 0 | 0 | 103.9 | ||||
| 6 | I | 36.5 | Very low | 33 | Very low | 149 Ų | 149 | 146.6 Ų | 146.6 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | trans | 37.3 | 127.1 | 145.9 | -57.1 | 165.2 | 0 | 0 | 0 | 117.7 | ||||
| 7 | G | 32 | Very low | 33 | Very low | 68 Ų | 68 | 144.6 Ų | 144.6 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | cis | 147.3 | 174.8 | 31.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 8 | Y | 32.7 | Very low | 33.4 | Very low | 212 Ų | 212 | 150.4 Ų | 150.4 | 83% | 0.831 | 78% | 0.783 | S | S | * | * | trans | 97.8 | 120 | 159.8 | -89.1 | -69.6 | 0 | 0 | 0 | 123.2 | ||||
| 9 | L | 31.8 | Very low | 33.5 | Very low | 130 Ų | 130 | 149.6 Ų | 149.6 | 68% | 0.681 | 79% | 0.785 | S | S | * | * | trans | 69 | 107.9 | 140.8 | -85.7 | 147.7 | 0 | 0 | 0 | 120.2 | ||||
| 10 | L | 35.8 | Very low | 34 | Very low | 155 Ų | 155 | 151.1 Ų | 151.1 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | 165.2 | 139 | 88.7 | -100.2 | 151.9 | 0 | 0 | 0 | 113.2 | |||||
| 11 | C | 32.3 | Very low | 33.8 | Very low | 100 Ų | 100 | 146.7 Ų | 146.7 | 68% | 0.676 | 78% | 0.783 | S | S | * | * | trans | -42.7 | 138.5 | 174.2 | -66.5 | 0 | 0 | 0 | 0 | 117 | ||||
| 12 | V | 35 | Very low | 34.3 | Very low | 137 Ų | 137 | 140 Ų | 140 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | -155.1 | 98.2 | 124 | -179.4 | 0 | 0 | 0 | 0 | 106.6 | |||||
| 13 | W | 29.8 | Very low | 34.2 | Very low | 208 Ų | 208 | 143.5 Ų | 143.5 | 79% | 0.788 | 78% | 0.776 | S | S | * | * | 43.9 | 99.9 | 108.6 | -76.8 | 72.9 | 0 | 0 | 0 | 115.2 | |||||
| 14 | L | 33 | Very low | 34.4 | Very low | 166 Ų | 166 | 143.3 Ų | 143.3 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | -170.6 | 107.7 | 111.7 | -95 | 160.6 | 0 | 0 | 0 | 110 | |||||
| 15 | S | 29.5 | Very low | 34.9 | Very low | 94 Ų | 94 | 141.3 Ų | 141.3 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | trans | -61.1 | 139.2 | 170.1 | 42.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 16 | S | 31.4 | Very low | 35.1 | Very low | 121 Ų | 121 | 145.9 Ų | 145.9 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | -171.4 | 87.2 | 118.6 | -83.8 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 17 | S | 32.5 | Very low | 35.2 | Very low | 113 Ų | 113 | 150.2 Ų | 150.2 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | -70.8 | 143.8 | 157.6 | -59.4 | 0 | 0 | 0 | 0 | 109.4 | V19 | S17-V19 PolarHBondContact O-N 2.8Š| ||
| 18 | R | 40.8 | Very low | 35.5 | Very low | 249 Ų | 249 | 152.5 Ų | 152.5 | 94% | 0.94 | 80% | 0.803 | S | S | * | * | trans | -44.4 | 122.3 | 174.9 | -62.7 | 173.8 | 178.4 | -169.9 | -1.9 | 111.8 | ||||
| 19 | V | 34.3 | Very low | 35.9 | Very low | 136 Ų | 136 | 151.1 Ų | 151.1 | 82% | 0.824 | 81% | 0.809 | S | S | * | * | trans | -118.3 | 119.1 | 162.3 | 177.1 | 0 | 0 | 0 | 0 | 107.5 | S17 G21 | S17-V19 PolarHBondContact O-N 2.8Å; V19-G21 PolarHBondContact O-N 2.92Å | ||
| 20 | L | 43.5 | Very low | 36.4 | Very low | 179 Ų | 179 | 149.4 Ų | 149.4 | 94% | 0.937 | 81% | 0.814 | S | S | * | * | trans | -66.6 | 103.2 | 169.7 | -71.2 | 159.5 | 0 | 0 | 0 | 108.1 | ||||
| 21 | G | 30.7 | Very low | 36.5 | Very low | 58 Ų | 58 | 150.6 Ų | 150.6 | 60% | 0.598 | 82% | 0.82 | S | S | * | * | trans | -109.6 | 106.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | V19 | V19-G21 PolarHBondContact O-N 2.92Š| ||
| 22 | G | 43.6 | Very low | 36.5 | Very low | 82 Ų | 82 | 149 Ų | 149 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | trans | -66.6 | 130.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 23 | Y | 31.4 | Very low | 36.5 | Very low | 212 Ų | 212 | 149.9 Ų | 149.9 | 83% | 0.831 | 82% | 0.816 | S | S | * | * | trans | -110.1 | 149.4 | 164.8 | -82.2 | -82.3 | 0 | 0 | 0 | 109.4 | ||||
| 24 | P | 35.4 | Very low | 36.7 | Very low | 113 Ų | 113 | 148.8 Ų | 148.8 | 73% | 0.734 | 82% | 0.819 | S | S | * | * | trans | -76.3 | 131.7 | -158.1 | 30.1 | -33.3 | 0 | 0 | 0 | 112.2 | W26 | P24-W26 VanDerWaalsContact C-N 3.35Å; P24-W26 PolarHBondContact O-N 2.91Å; P24-W26 VanDerWaalsContact O-N 3.07Å | ||
| 25 | I | 44.7 | Very low | 36.9 | Very low | 156 Ų | 156 | 149.9 Ų | 149.9 | 80% | 0.8 | 81% | 0.813 | S | S | * | * | trans | -78.4 | 85 | 172.4 | -57.3 | 163.3 | 0 | 0 | 0 | 107.9 | ||||
| 26 | W | 41.3 | Very low | 37.2 | Very low | 225 Ų | 225 | 150.7 Ų | 150.7 | 85% | 0.852 | 82% | 0.819 | S | S | * | * | trans | -123.4 | 132.5 | 153 | -87.3 | 56.3 | 0 | 0 | 0 | 106 | P24 | P24-W26 VanDerWaalsContact C-N 3.35Å; P24-W26 PolarHBondContact O-N 2.91Å; P24-W26 VanDerWaalsContact O-N 3.07Å | ||
| 27 | W | 37.3 | Very low | 37.7 | Very low | 241 Ų | 241 | 149.9 Ų | 149.9 | 91% | 0.913 | 81% | 0.814 | S | S | * | * | S | Bend | trans | 84.8 | 73.5 | -174.5 | -52.1 | 87.7 | 0 | 0 | 0 | 116.3 | ||
| 28 | S | 38.1 | Very low | 38.2 | Very low | 115 Ų | 115 | 152.8 Ų | 152.8 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | -170.4 | 75.4 | 143.9 | -79.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 29 | L | 41 | Very low | 38.2 | Very low | 184 Ų | 184 | 144.2 Ų | 144.2 | 96% | 0.963 | 81% | 0.809 | S | S | * | * | trans | -114.8 | 78.6 | 159.9 | -77.3 | 174.6 | 0 | 0 | 0 | 108.2 | ||||
| 30 | A | 42.9 | Very low | 39 | Very low | 94 Ų | 94 | 143 Ų | 143 | 78% | 0.777 | 81% | 0.806 | S | S | * | * | trans | -160 | 60.3 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 31 | L | 37.8 | Very low | 39.5 | Very low | 179 Ų | 179 | 142.9 Ų | 142.9 | 94% | 0.937 | 80% | 0.801 | S | S | * | * | trans | -116.3 | 80.9 | 154.7 | -75.1 | 170.3 | 0 | 0 | 0 | 105.9 | Q33 | L31-Q33 PolarHBondContact O-N 2.76Š| ||
| 32 | G | 32.3 | Very low | 40.9 | Very low | 68 Ų | 68 | 145.6 Ų | 145.6 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | trans | -57.1 | 131.8 | 167 | 0 | 0 | 0 | 0 | 0 | 108.4 | Q34 | G32-Q34 PolarHBondContact O-N 3.27Š| ||
| 33 | Q | 34.3 | Very low | 42 | Very low | 155 Ų | 155 | 145.8 Ų | 145.8 | 72% | 0.724 | 79% | 0.789 | S | S | * | * | trans | -53.3 | 112.7 | 162 | -78 | 170.6 | -64.5 | 0 | 0 | 107.1 | L31 Y35 | L31-Q33 PolarHBondContact O-N 2.76Å; Q33-Y35 HydrophobicContact CB-CD2 4.05Å; Q33-Y35 HydrophobicContact CB-CE2 3.95Å; Q33-Y35 PolarHBondContact O-N 2.87Å | ||
| 34 | Q | 35.3 | Very low | 44.2 | Very low | 185 Ų | 185 | 141.8 Ų | 141.8 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | trans | -63.3 | 88.8 | 159.8 | -83 | 177.3 | -19.2 | 0 | 0 | 106.5 | G32 S36 | G32-Q34 PolarHBondContact O-N 3.27Å; Q34-S36 VanDerWaalsContact C-N 3.27Å; Q34-S36 PolarHBondContact O-N 2.78Å | ||
| 35 | Y | 37.6 | Very low | 46.3 | Very low | 188 Ų | 188 | 136.9 Ų | 136.9 | 74% | 0.737 | 75% | 0.75 | S | S | * | * | trans | -61.7 | 102.6 | 153.6 | -79.1 | -88.7 | 0 | 0 | 0 | 105.3 | Q33 S37 | Q33-Y35 HydrophobicContact CB-CD2 4.05Å; Q33-Y35 HydrophobicContact CB-CE2 3.95Å; Q33-Y35 PolarHBondContact O-N 2.87Å; Y35-S37 PolarHBondContact O-N 2.94Å | ||
| 36 | S | 35.4 | Very low | 47.8 | Very low | 111 Ų | 111 | 132.9 Ų | 132.9 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | trans | -57.6 | 99.4 | 161.5 | -47.2 | 0 | 0 | 0 | 0 | 105.8 | Q34 L38 | Q34-S36 VanDerWaalsContact C-N 3.27Å; Q34-S36 PolarHBondContact O-N 2.78Å; S36-L38 PolarHBondContact O-N 2.8Å; S36-L38 VanDerWaalsContact O-N 3.11Å | ||
| 37 | S | 42 | Very low | 49.4 | Very low | 105 Ų | 105 | 126.1 Ų | 126.1 | 73% | 0.734 | 73% | 0.734 | S | S | * | * | trans | -56.2 | 120.9 | 165.5 | 55.6 | 0 | 0 | 0 | 0 | 105.7 | Y35 G39 | Y35-S37 PolarHBondContact O-N 2.94Å; S37-G39 PolarHBondContact O-N 3.18Å | ||
| 38 | L | 42.2 | Very low | 51 | Low | 173 Ų | 173 | 115.5 Ų | 115.5 | 91% | 0.906 | 70% | 0.695 | S | S | * | * | trans | -54.9 | 109.3 | 169.9 | -151.8 | 78.1 | 0 | 0 | 0 | 105.4 | S36 S40 | S36-L38 PolarHBondContact O-N 2.8Å; S36-L38 VanDerWaalsContact O-N 3.11Å; L38-S40 PolarHBondContact O-N 2.94Å | ||
| 39 | G | 40.9 | Very low | 52.6 | Low | 70 Ų | 70 | 113.8 Ų | 113.8 | 72% | 0.722 | 68% | 0.681 | S | S | * | * | trans | -57.8 | 102.4 | -169.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | S37 Q41 | S37-G39 PolarHBondContact O-N 3.18Å; G39-Q41 PolarHBondContact O-N 2.03Å | ||
| 40 | S | 51.2 | Low | 54 | Low | 111 Ų | 111 | 107 Ų | 107 | 78% | 0.776 | 66% | 0.656 | S | S | * | * | trans | -63.1 | 111.9 | 153.8 | 18.9 | 0 | 0 | 0 | 0 | 105.8 | L38 | L38-S40 PolarHBondContact O-N 2.94Š| ||
| 41 | Q | 54.7 | Low | 55.9 | Low | 175 Ų | 175 | 103.6 Ų | 103.6 | 82% | 0.818 | 62% | 0.624 | S | S | * | * | trans | -47.1 | 137.2 | 170 | -72.2 | -177.8 | -32.2 | 0 | 0 | 108.6 | G39 L43 | G39-Q41 PolarHBondContact O-N 2.03Å; Q41-L43 PolarHBondContact O-N 3.15Å | ||
| 42 | P | 59.4 | Low | 58.2 | Low | 115 Ų | 115 | 97.2 Ų | 97.2 | 75% | 0.747 | 59% | 0.593 | S | S | * | * | trans | -55.7 | 119.7 | 179 | 21.1 | -30.6 | 0 | 0 | 0 | 108.5 | L44 | P42-L44 PolarHBondContact O-N 3.34Š| ||
| 43 | L | 66.4 | Low | 60.8 | Low | 87 Ų | 87 | 98 Ų | 98 | 46% | 0.455 | 59% | 0.592 | S | S | . | * | trans | -56.2 | 111.5 | 176.9 | -95.7 | 141.5 | 0 | 0 | 0 | 108.3 | Q41 C45 I63 P67 | Q41-L43 PolarHBondContact O-N 3.15Å; L43-C45 PolarHBondContact O-N 3.05Å; L43-I63 HydrophobicContact CB-CD1 3.98Å; L43-I63 WeakPolarHBondContact O-CD1 3.29Å; L43-P67 HydrophobicContact CD1-CG 3.78Å | ||
| 44 | L | 77.3 | Confident | 63.4 | Low | 127 Ų | 127 | 95.9 Ų | 95.9 | 67% | 0.665 | 58% | 0.581 | S | S | * | * | trans | -83.9 | 109.2 | 172.5 | -79.1 | 155.2 | 0 | 0 | 0 | 107.3 | P42 G46 S47 | P42-L44 PolarHBondContact O-N 3.34Å; L44-G46 PolarHBondContact O-N 3.17Å; L44-S47 PolarHBondContact O-N 3.37Å; L44-S47 PolarHBondContact O-OG 2.88Å | ||
| 45 | C | 81 | Confident | 66 | Low | 10 Ų | 10 | 87 Ų | 87 | 7% | 0.068 | 54% | 0.539 | C | S | . | . | G | 310 helix | trans | -50 | -29 | 177.6 | -67 | 0 | 0 | 0 | 0 | 113.9 | L43 S47 I48 L56 C59 | L43-C45 PolarHBondContact O-N 3.05Å; C45-S47 VanDerWaalsContact C-N 3.33Å; C45-I48 PolarHBondContact O-N 2.92Å; C45-L56 HydrophobicContact CB-CD2 4.1Å; C45-L56 VanDerWaalsContact O-CD2 3.24Å; C45-L56 WeakPolarHBondContact O-CD2 3.5Å; C45-C59 VanDerWaalsContact CA-SG 3.56Å; C45-C59 HydrophobicContact CB-CB 3.79Å; C45-C59 WeakPolarHBondContact CB-SG 3.43Å; C45-C59 WeakPolarHBondContact SG-CB 3.35Å; C45-C59 PolarHBondContact SG-O 2.98Å; C45-C59 CovalentContact SG-SG 2.03Å; C45-C59 PolarHBondContact SG-SG 3.26Å |
| 46 | G | 74.8 | Confident | 68.5 | Low | 72 Ų | 72 | 80.4 Ų | 80.4 | 74% | 0.742 | 52% | 0.517 | S | S | * | . | G | 310 helix | trans | -72.7 | -17.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | L44 | L44-G46 PolarHBondContact O-N 3.17Š|
| 47 | S | 75.3 | Confident | 71.1 | Confident | 84 Ų | 84 | 83.8 Ų | 83.8 | 59% | 0.587 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -86.5 | -9.1 | 174.6 | 66.9 | 0 | 0 | 0 | 0 | 113 | L44 C45 P49 | L44-S47 PolarHBondContact O-N 3.37Å; L44-S47 PolarHBondContact O-OG 2.88Å; C45-S47 VanDerWaalsContact C-N 3.33Å; S47-P49 VanDerWaalsContact O-CD 3.23Å; S47-P49 WeakPolarHBondContact O-CD 3.11Å |
| 48 | I | 71.7 | Confident | 73.5 | Confident | 18 Ų | 18 | 79.5 Ų | 79.5 | 9% | 0.092 | 48% | 0.48 | C | S | . | . | S | Bend | trans | -76 | 111.3 | 176.3 | -59.1 | 176.5 | 0 | 0 | 0 | 108.6 | C45 G50 L51 M66 L98 | C45-I48 PolarHBondContact O-N 2.92Å; I48-G50 PolarHBondContact O-N 3.12Å; I48-L51 HydrophobicContact CB-CD1 3.75Å; I48-L51 HydrophobicContact CB-CG 3.97Å; I48-L51 HydrophobicContact CD1-CD1 4.01Å; I48-L51 HydrophobicContact CG1-CD1 4.44Å; I48-L51 HydrophobicContact CG2-CD1 3.81Å; I48-L51 HydrophobicContact CG2-CD2 4.06Å; I48-L51 HydrophobicContact CG2-CG 3.64Å; I48-M66 HydrophobicContact CD1-CE 4.34Å; I48-L98 HydrophobicContact CD1-CD1 4.32Å; I48-L98 HydrophobicContact CG2-CB 3.96Å; I48-L98 HydrophobicContact CG2-CD1 3.41Å; I48-L98 VanDerWaalsContact CG2-CD1 3.41Å; I48-L98 HydrophobicContact CG2-CG 4.31Å |
| 49 | P | 70.2 | Confident | 75.8 | Confident | 78 Ų | 78 | 71.2 Ų | 71.2 | 51% | 0.506 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | 134.7 | -177 | 28.3 | -33.8 | 0 | 0 | 0 | 110.7 | S47 | S47-P49 VanDerWaalsContact O-CD 3.23Å; S47-P49 WeakPolarHBondContact O-CD 3.11Å |
| 50 | G | 72.4 | Confident | 78.2 | Confident | 42 Ų | 42 | 76.9 Ų | 76.9 | 43% | 0.433 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.4 | 6.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | I48 R176 | I48-G50 PolarHBondContact O-N 3.12Å; G50-R176 PolarHBondContact O-NH1 3.08Å |
| 51 | L | 81.8 | Confident | 80 | Confident | 22 Ų | 22 | 76.7 Ų | 76.7 | 12% | 0.115 | 43% | 0.427 | C | S | . | . | trans | -73.5 | 135.6 | 171.2 | -64 | -171.6 | 0 | 0 | 0 | 111.9 | I48 Q55 L56 C59 F172 | I48-L51 HydrophobicContact CB-CD1 3.75Å; I48-L51 HydrophobicContact CB-CG 3.97Å; I48-L51 HydrophobicContact CD1-CD1 4.01Å; I48-L51 HydrophobicContact CG1-CD1 4.44Å; I48-L51 HydrophobicContact CG2-CD1 3.81Å; I48-L51 HydrophobicContact CG2-CD2 4.06Å; I48-L51 HydrophobicContact CG2-CG 3.64Å; L51-Q55 HydrophobicContact CB-CB 4.19Å; L51-Q55 HydrophobicContact CD2-CB 4.05Å; L51-L56 HydrophobicContact CB-CD2 4.03Å; L51-L56 HydrophobicContact CB-CG 4.02Å; L51-L56 HydrophobicContact CD1-CD2 4.05Å; L51-C59 HydrophobicContact CD1-CB 4.35Å; L51-F172 HydrophobicContact CD2-CE2 3.86Å; L51-F172 HydrophobicContact CD2-CZ 3.6Å | ||
| 52 | V | 85.3 | Confident | 81.7 | Confident | 46 Ų | 46 | 72.1 Ų | 72.1 | 28% | 0.279 | 40% | 0.403 | S | S | . | . | trans | -84.4 | 164.4 | 170.6 | -58 | 0 | 0 | 0 | 0 | 111.5 | K54 Q55 L56 R176 | V52-K54 HydrophobicContact CG2-CB 4.48Å; V52-K54 PolarHBondContact O-N 2.85Å; V52-K54 VanDerWaalsContact O-N 3.12Å; V52-Q55 HydrophobicContact CG2-CB 4.13Å; V52-Q55 HydrophobicContact CG2-CG 3.78Å; V52-Q55 VanDerWaalsContact N-OE1 3.09Å; V52-Q55 CarbonylContact O-C 3.56Å; V52-Q55 WeakPolarHBondContact O-CA 3.43Å; V52-Q55 WeakPolarHBondContact O-CB 3.44Å; V52-Q55 PolarHBondContact O-N 3.44Å; V52-L56 PolarHBondContact O-N 2.82Å; V52-R176 HydrophobicContact CB-CG 4.35Å; V52-R176 HydrophobicContact CG1-CG 3.81Å; V52-R176 HydrophobicContact CG2-CG 3.58Å | ||
| 53 | A | 88.5 | Confident | 83.1 | Confident | 83 Ų | 83 | 69.6 Ų | 69.6 | 69% | 0.686 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -52.3 | -38.3 | -178 | 0 | 0 | 0 | 0 | 0 | 114.3 | L56 R57 | A53-L56 PolarHBondContact O-N 3.37Å; A53-R57 PolarHBondContact O-N 2Å; A53-R57 VanDerWaalsContact O-N 3.14Å |
| 54 | K | 88.5 | Confident | 84.2 | Confident | 111 Ų | 111 | 70.1 Ų | 70.1 | 48% | 0.483 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -67.8 | -41 | 176.5 | -170.6 | 175.5 | 174.6 | -167.7 | 0 | 111.9 | V52 R57 F58 A175 | V52-K54 HydrophobicContact CG2-CB 4.48Å; V52-K54 PolarHBondContact O-N 2.85Å; V52-K54 VanDerWaalsContact O-N 3.12Å; K54-R57 PolarHBondContact O-N 2.72Å; K54-F58 PolarHBondContact O-N 3.17Å; K54-A175 HydrophobicContact CB-CB 4.09Å; K54-A175 HydrophobicContact CD-CB 3.88Å; K54-A175 HydrophobicContact CG-CB 3.88Å |
| 55 | Q | 89.4 | Confident | 84.9 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -68.4 | -35.2 | 174.5 | -68.8 | 175.7 | -42.5 | 0 | 0 | 112.4 | L51 V52 R57 F58 C59 F172 A175 | L51-Q55 HydrophobicContact CB-CB 4.19Å; L51-Q55 HydrophobicContact CD2-CB 4.05Å; V52-Q55 HydrophobicContact CG2-CB 4.13Å; V52-Q55 HydrophobicContact CG2-CG 3.78Å; V52-Q55 VanDerWaalsContact N-OE1 3.09Å; V52-Q55 CarbonylContact O-C 3.56Å; V52-Q55 WeakPolarHBondContact O-CA 3.43Å; V52-Q55 WeakPolarHBondContact O-CB 3.44Å; V52-Q55 PolarHBondContact O-N 3.44Å; Q55-R57 VanDerWaalsContact C-N 3.3Å; Q55-R57 PolarHBondContact O-N 2.94Å; Q55-F58 WeakPolarHBondContact O-CB 3.37Å; Q55-F58 PolarHBondContact O-N 3.04Å; Q55-C59 VanDerWaalsContact O-CB 3.32Å; Q55-C59 WeakPolarHBondContact O-CB 3.42Å; Q55-C59 PolarHBondContact O-N 3.35Å; Q55-F172 HydrophobicContact CB-CD2 4.41Å; Q55-F172 HydrophobicContact CB-CE2 4.08Å; Q55-F172 HydrophobicContact CG-CD2 4.27Å; Q55-F172 HydrophobicContact CG-CE2 4.2Å; Q55-F172 PolarHBondContact NE2-O 2.92Å; Q55-A175 HydrophobicContact CG-CB 3.62Å |
| 56 | L | 89.9 | Confident | 85.4 | Confident | 49 Ų | 49 | 63.9 Ų | 63.9 | 26% | 0.257 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.5 | -38.8 | 173.8 | -75.4 | 170.7 | 0 | 0 | 0 | 111.7 | C45 L51 V52 A53 R60 | C45-L56 HydrophobicContact CB-CD2 4.1Å; C45-L56 VanDerWaalsContact O-CD2 3.24Å; C45-L56 WeakPolarHBondContact O-CD2 3.5Å; L51-L56 HydrophobicContact CB-CD2 4.03Å; L51-L56 HydrophobicContact CB-CG 4.02Å; L51-L56 HydrophobicContact CD1-CD2 4.05Å; V52-L56 PolarHBondContact O-N 2.82Å; A53-L56 PolarHBondContact O-N 3.37Å; L56-R60 WeakPolarHBondContact O-CG 3.27Å; L56-R60 PolarHBondContact O-N 3.29Å; L56-R60 VanDerWaalsContact O-N 3.1Å |
| 57 | R | 91.1 | Very high | 86.1 | Confident | 181 Ų | 181 | 63.5 Ų | 63.5 | 68% | 0.683 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -65.5 | -45 | 174 | -169.3 | -177.5 | -61.2 | 178 | 0 | 111.3 | A53 K54 Q55 R60 N61 | A53-R57 PolarHBondContact O-N 2Å; A53-R57 VanDerWaalsContact O-N 3.14Å; K54-R57 PolarHBondContact O-N 2.72Å; Q55-R57 VanDerWaalsContact C-N 3.3Å; Q55-R57 PolarHBondContact O-N 2.94Å; R57-R60 PolarHBondContact O-N 3.46Å; R57-N61 PolarHBondContact O-N 3.18Å |
| 58 | F | 91.6 | Very high | 86.9 | Confident | 15 Ų | 15 | 59.8 Ų | 59.8 | 7% | 0.066 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -56.6 | -51.4 | 174.1 | -179.1 | -86.2 | 0 | 0 | 0 | 111.3 | K54 Q55 R60 N61 Y62 M66 V168 E171 F172 | K54-F58 PolarHBondContact O-N 3.17Å; Q55-F58 WeakPolarHBondContact O-CB 3.37Å; Q55-F58 PolarHBondContact O-N 3.04Å; F58-R60 VanDerWaalsContact C-N 3.27Å; F58-R60 PolarHBondContact O-N 2.92Å; F58-N61 PolarHBondContact O-N 2.04Å; F58-Y62 HydrophobicContact CD1-CD2 4.28Å; F58-Y62 AromaticContact CD2-CD2 3.59Å; F58-Y62 HydrophobicContact CD2-CD2 3.59Å; F58-Y62 AromaticContact CD2-CE2 3.89Å; F58-Y62 HydrophobicContact CD2-CE2 3.89Å; F58-Y62 HydrophobicContact CE1-CD2 4.07Å; F58-Y62 HydrophobicContact CE1-CG 4.25Å; F58-Y62 AromaticContact CE2-CD2 3.34Å; F58-Y62 HydrophobicContact CE2-CD2 3.34Å; F58-Y62 AromaticContact CE2-CE2 3.61Å; F58-Y62 HydrophobicContact CE2-CE2 3.61Å; F58-Y62 HydrophobicContact CE2-CG 4.09Å; F58-Y62 HydrophobicContact CG-CD2 4.04Å; F58-Y62 AromaticContact CZ-CD2 3.59Å; F58-Y62 HydrophobicContact CZ-CD2 3.59Å; F58-Y62 HydrophobicContact CZ-CE2 4.23Å; F58-Y62 AromaticContact CZ-CG 3.87Å; F58-Y62 HydrophobicContact CZ-CG 3.87Å; F58-Y62 WeakPolarHBondContact O-CD2 3.25Å; F58-Y62 PolarHBondContact O-N 2.94Å; F58-M66 HydrophobicContact CD1-SD 4.12Å; F58-M66 HydrophobicContact CE1-SD 4.09Å; F58-V168 HydrophobicContact CE1-CG1 4.44Å; F58-V168 HydrophobicContact CZ-CB 4.43Å; F58-V168 HydrophobicContact CZ-CG1 3.9Å; F58-V168 HydrophobicContact CZ-CG2 4.45Å; F58-E171 HydrophobicContact CD2-CB 3.72Å; F58-E171 HydrophobicContact CE2-CB 3.51Å; F58-E171 HydrophobicContact CE2-CG 4.38Å; F58-F172 HydrophobicContact CD1-CB 4.32Å; F58-F172 AromaticContact CD1-CD2 3.7Å; F58-F172 HydrophobicContact CD1-CD2 3.7Å; F58-F172 HydrophobicContact CD1-CG 4.46Å; F58-F172 HydrophobicContact CE1-CB 4.21Å; F58-F172 HydrophobicContact CE1-CD2 4.16Å; F58-F172 HydrophobicContact CG-CD2 4.41Å |
| 59 | C | 90.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.2 | -39.3 | -179.6 | 177.2 | 0 | 0 | 0 | 0 | 112.5 | C45 L51 Q55 Y62 I63 M66 | C45-C59 VanDerWaalsContact CA-SG 3.56Å; C45-C59 HydrophobicContact CB-CB 3.79Å; C45-C59 WeakPolarHBondContact CB-SG 3.43Å; C45-C59 WeakPolarHBondContact SG-CB 3.35Å; C45-C59 PolarHBondContact SG-O 2.98Å; C45-C59 CovalentContact SG-SG 2.03Å; C45-C59 PolarHBondContact SG-SG 3.26Å; L51-C59 HydrophobicContact CD1-CB 4.35Å; Q55-C59 VanDerWaalsContact O-CB 3.32Å; Q55-C59 WeakPolarHBondContact O-CB 3.42Å; Q55-C59 PolarHBondContact O-N 3.35Å; C59-Y62 CarbonylContact O-C 3.54Å; C59-Y62 PolarHBondContact O-N 2.93Å; C59-I63 WeakPolarHBondContact O-CA 3.42Å; C59-I63 WeakPolarHBondContact O-CB 3.37Å; C59-I63 PolarHBondContact O-N 2.86Å; C59-M66 HydrophobicContact CB-CE 4.27Å; C59-M66 HydrophobicContact CB-CG 4.21Å; C59-M66 HydrophobicContact CB-SD 3.99Å |
| 60 | R | 90.8 | Very high | 88.8 | Confident | 188 Ų | 188 | 56.9 Ų | 56.9 | 71% | 0.709 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -66.4 | -37.1 | 176.2 | -72.8 | 174.3 | -176.7 | 179.9 | 1 | 112.8 | L56 R57 F58 | L56-R60 WeakPolarHBondContact O-CG 3.27Å; L56-R60 PolarHBondContact O-N 3.29Å; L56-R60 VanDerWaalsContact O-N 3.1Å; R57-R60 PolarHBondContact O-N 3.46Å; F58-R60 VanDerWaalsContact C-N 3.27Å; F58-R60 PolarHBondContact O-N 2.92Å |
| 61 | N | 90.2 | Very high | 89.7 | Confident | 108 Ų | 108 | 61 Ų | 61 | 58% | 0.578 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -77.5 | -27.6 | -179.5 | -67.5 | -5.5 | 0 | 0 | 0 | 112.6 | R57 F58 | R57-N61 PolarHBondContact O-N 3.18Å; F58-N61 PolarHBondContact O-N 2.04Å |
| 62 | Y | 90.3 | Very high | 90.3 | Very high | 78 Ų | 78 | 60 Ų | 60 | 31% | 0.306 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.1 | 35.7 | -171.8 | -67.3 | -74.7 | 0 | 0 | 0 | 112.1 | F58 C59 E64 I65 M66 | F58-Y62 HydrophobicContact CD1-CD2 4.28Å; F58-Y62 AromaticContact CD2-CD2 3.59Å; F58-Y62 HydrophobicContact CD2-CD2 3.59Å; F58-Y62 AromaticContact CD2-CE2 3.89Å; F58-Y62 HydrophobicContact CD2-CE2 3.89Å; F58-Y62 HydrophobicContact CE1-CD2 4.07Å; F58-Y62 HydrophobicContact CE1-CG 4.25Å; F58-Y62 AromaticContact CE2-CD2 3.34Å; F58-Y62 HydrophobicContact CE2-CD2 3.34Å; F58-Y62 AromaticContact CE2-CE2 3.61Å; F58-Y62 HydrophobicContact CE2-CE2 3.61Å; F58-Y62 HydrophobicContact CE2-CG 4.09Å; F58-Y62 HydrophobicContact CG-CD2 4.04Å; F58-Y62 AromaticContact CZ-CD2 3.59Å; F58-Y62 HydrophobicContact CZ-CD2 3.59Å; F58-Y62 HydrophobicContact CZ-CE2 4.23Å; F58-Y62 AromaticContact CZ-CG 3.87Å; F58-Y62 HydrophobicContact CZ-CG 3.87Å; F58-Y62 WeakPolarHBondContact O-CD2 3.25Å; F58-Y62 PolarHBondContact O-N 2.94Å; C59-Y62 CarbonylContact O-C 3.54Å; C59-Y62 PolarHBondContact O-N 2.93Å; Y62-E64 VanDerWaalsContact C-N 3.25Å; Y62-E64 PolarHBondContact O-N 3.08Å; Y62-I65 HydrophobicContact CD1-CD1 3.95Å; Y62-I65 HydrophobicContact CG-CD1 4.19Å; Y62-I65 WeakPolarHBondContact O-CG1 3.23Å; Y62-I65 PolarHBondContact O-N 2.81Å; Y62-I65 VanDerWaalsContact O-N 3.15Å; Y62-M66 WeakPolarHBondContact O-CG 3.32Å; Y62-M66 PolarHBondContact O-N 3.39Å |
| 63 | I | 88.8 | Confident | 90.6 | Very high | 63 Ų | 63 | 57.9 Ų | 57.9 | 32% | 0.323 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -59.2 | -35.4 | -170.7 | -170.9 | 64.3 | 0 | 0 | 0 | 113.2 | L43 C59 I65 M66 | L43-I63 HydrophobicContact CB-CD1 3.98Å; L43-I63 WeakPolarHBondContact O-CD1 3.29Å; C59-I63 WeakPolarHBondContact O-CA 3.42Å; C59-I63 WeakPolarHBondContact O-CB 3.37Å; C59-I63 PolarHBondContact O-N 2.86Å; I63-I65 VanDerWaalsContact C-N 3.3Å; I63-I65 PolarHBondContact O-N 3.47Å; I63-M66 PolarHBondContact O-N 3.48Å |
| 64 | E | 89.1 | Confident | 90.7 | Very high | 98 Ų | 98 | 58.9 Ų | 58.9 | 46% | 0.458 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -62.9 | -33.8 | -179.4 | -67 | -174.1 | -166.7 | 0 | 0 | 112.9 | Y62 P67 T137 | Y62-E64 VanDerWaalsContact C-N 3.25Å; Y62-E64 PolarHBondContact O-N 3.08Å; E64-P67 WeakPolarHBondContact O-CD 3.05Å; E64-T137 PolarHBondContact OE1-OG1 3.3Å; E64-T137 PolarHBondContact OE2-N 3.03Å; E64-T137 PolarHBondContact OE2-OG1 3.44Å |
| 65 | I | 91.3 | Very high | 91 | Very high | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.015 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -94.5 | -6.5 | -177.8 | 62.3 | 168.2 | 0 | 0 | 0 | 113.3 | Y62 I63 P67 S68 V69 S136 F164 V168 | Y62-I65 HydrophobicContact CD1-CD1 3.95Å; Y62-I65 HydrophobicContact CG-CD1 4.19Å; Y62-I65 WeakPolarHBondContact O-CG1 3.23Å; Y62-I65 PolarHBondContact O-N 2.81Å; Y62-I65 VanDerWaalsContact O-N 3.15Å; I63-I65 VanDerWaalsContact C-N 3.3Å; I63-I65 PolarHBondContact O-N 3.47Å; I65-P67 VanDerWaalsContact C-CD 3.43Å; I65-S68 WeakPolarHBondContact O-CB 3.08Å; I65-S68 PolarHBondContact O-N 2.77Å; I65-S68 VanDerWaalsContact O-N 3.08Å; I65-V69 PolarHBondContact O-N 3.46Å; I65-V69 VanDerWaalsContact O-N 3.12Å; I65-S136 WeakPolarHBondContact CG2-OG 3.48Å; I65-F164 HydrophobicContact CD1-CE1 4.37Å; I65-F164 HydrophobicContact CD1-CZ 4.27Å; I65-V168 HydrophobicContact CD1-CB 4.43Å; I65-V168 HydrophobicContact CD1-CG1 3.94Å; I65-V168 HydrophobicContact CD1-CG2 3.6Å |
| 66 | M | 90.9 | Very high | 91.3 | Very high | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.015 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.7 | -34.6 | 179.4 | -73.9 | -57.8 | -53 | 0 | 0 | 115 | I48 F58 C59 Y62 I63 S68 V69 A70 F172 | I48-M66 HydrophobicContact CD1-CE 4.34Å; F58-M66 HydrophobicContact CD1-SD 4.12Å; F58-M66 HydrophobicContact CE1-SD 4.09Å; C59-M66 HydrophobicContact CB-CE 4.27Å; C59-M66 HydrophobicContact CB-CG 4.21Å; C59-M66 HydrophobicContact CB-SD 3.99Å; Y62-M66 WeakPolarHBondContact O-CG 3.32Å; Y62-M66 PolarHBondContact O-N 3.39Å; I63-M66 PolarHBondContact O-N 3.48Å; M66-S68 VanDerWaalsContact C-N 3.29Å; M66-S68 PolarHBondContact O-N 2.89Å; M66-V69 HydrophobicContact CE-CB 4.34Å; M66-V69 HydrophobicContact CE-CG1 4.32Å; M66-V69 WeakPolarHBondContact O-CB 3Å; M66-V69 PolarHBondContact O-N 2.8Å; M66-V69 HydrophobicContact SD-CB 4.5Å; M66-V69 HydrophobicContact SD-CG2 4.34Å; M66-A70 PolarHBondContact O-N 3.02Å; M66-F172 HydrophobicContact CE-CE2 3.81Å; M66-F172 HydrophobicContact CE-CZ 4.11Å; M66-F172 HydrophobicContact SD-CE2 4.44Å |
| 67 | P | 90 | Very high | 91.4 | Very high | 63 Ų | 63 | 53.4 Ų | 53.4 | 41% | 0.409 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -56 | -44.3 | 170.7 | -25.8 | 35.1 | 0 | 0 | 0 | 112.3 | L43 E64 I65 V69 A70 E71 | L43-P67 HydrophobicContact CD1-CG 3.78Å; E64-P67 WeakPolarHBondContact O-CD 3.05Å; I65-P67 VanDerWaalsContact C-CD 3.43Å; P67-V69 VanDerWaalsContact C-N 3.34Å; P67-V69 PolarHBondContact O-N 2.88Å; P67-A70 WeakPolarHBondContact O-CB 3.35Å; P67-A70 PolarHBondContact O-N 3.33Å; P67-E71 WeakPolarHBondContact O-CB 3Å; P67-E71 PolarHBondContact O-N 3.11Å |
| 68 | S | 93.5 | Very high | 91.6 | Very high | 7 Ų | 7 | 49.2 Ų | 49.2 | 5% | 0.049 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66 | -35.2 | 178 | -41.4 | 0 | 0 | 0 | 0 | 112 | I65 M66 G72 A126 S130 | I65-S68 WeakPolarHBondContact O-CB 3.08Å; I65-S68 PolarHBondContact O-N 2.77Å; I65-S68 VanDerWaalsContact O-N 3.08Å; M66-S68 VanDerWaalsContact C-N 3.29Å; M66-S68 PolarHBondContact O-N 2.89Å; S68-G72 PolarHBondContact O-N 3.39Å; S68-A126 WeakPolarHBondContact O-CB 3.45Å; S68-S130 VanDerWaalsContact OG-CB 3.28Å; S68-S130 WeakPolarHBondContact OG-CB 3.3Å; S68-S130 PolarHBondContact OG-OG 2.83Å |
| 69 | V | 92.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.9 | -45.5 | 172.4 | 175.8 | 0 | 0 | 0 | 0 | 110.7 | I65 M66 P67 G72 V73 L98 V123 V127 V168 F172 | I65-V69 PolarHBondContact O-N 3.46Å; I65-V69 VanDerWaalsContact O-N 3.12Å; M66-V69 HydrophobicContact CE-CB 4.34Å; M66-V69 HydrophobicContact CE-CG1 4.32Å; M66-V69 WeakPolarHBondContact O-CB 3Å; M66-V69 PolarHBondContact O-N 2.8Å; M66-V69 HydrophobicContact SD-CB 4.5Å; M66-V69 HydrophobicContact SD-CG2 4.34Å; P67-V69 VanDerWaalsContact C-N 3.34Å; P67-V69 PolarHBondContact O-N 2.88Å; V69-G72 PolarHBondContact O-N 3.44Å; V69-V73 WeakPolarHBondContact O-CG2 3.34Å; V69-V73 PolarHBondContact O-N 3.32Å; V69-V73 VanDerWaalsContact O-N 3.09Å; V69-L98 HydrophobicContact CG1-CD2 4.37Å; V69-V123 HydrophobicContact CB-CG1 4.41Å; V69-V123 HydrophobicContact CG1-CG1 4.02Å; V69-V123 HydrophobicContact CG1-CG2 4.15Å; V69-V123 HydrophobicContact CG2-CG1 4.2Å; V69-V127 HydrophobicContact CG2-CG2 3.85Å; V69-V168 HydrophobicContact CG2-CG1 3.95Å; V69-F172 HydrophobicContact CG1-CD1 3.67Å; V69-F172 HydrophobicContact CG1-CE1 3.65Å; V69-F172 HydrophobicContact CG1-CG 4.14Å; V69-F172 HydrophobicContact CG1-CZ 4.13Å |
| 70 | A | 89.3 | Confident | 92.1 | Very high | 35 Ų | 35 | 49 Ų | 49 | 29% | 0.289 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.5 | -43.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | M66 P67 G72 V73 K74 L98 | M66-A70 PolarHBondContact O-N 3.02Å; P67-A70 WeakPolarHBondContact O-CB 3.35Å; P67-A70 PolarHBondContact O-N 3.33Å; A70-G72 VanDerWaalsContact C-N 3.33Å; A70-V73 PolarHBondContact O-N 3.35Å; A70-K74 PolarHBondContact O-N 2.02Å; A70-K74 VanDerWaalsContact O-N 3.14Å; A70-L98 HydrophobicContact CB-CD1 3.92Å; A70-L98 HydrophobicContact CB-CD2 4Å; A70-L98 HydrophobicContact CB-CG 4.18Å |
| 71 | E | 91 | Very high | 92.2 | Very high | 128 Ų | 128 | 42.9 Ų | 42.9 | 60% | 0.598 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -61.4 | -41.7 | 174 | -177.9 | 167.6 | -159.6 | 0 | 0 | 111.7 | P67 V73 K74 L75 | P67-E71 WeakPolarHBondContact O-CB 3Å; P67-E71 PolarHBondContact O-N 3.11Å; E71-V73 PolarHBondContact O-N 2.9Å; E71-K74 WeakPolarHBondContact O-CB 3.34Å; E71-K74 PolarHBondContact O-N 3.24Å; E71-K74 VanDerWaalsContact O-N 3.17Å; E71-L75 WeakPolarHBondContact O-CB 3Å; E71-L75 PolarHBondContact O-N 3.06Å |
| 72 | G | 94.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.3 | -39.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | S68 V69 A70 L75 G76 G122 A126 | S68-G72 PolarHBondContact O-N 3.39Å; V69-G72 PolarHBondContact O-N 3.44Å; A70-G72 VanDerWaalsContact C-N 3.33Å; G72-L75 PolarHBondContact O-N 3.3Å; G72-G76 PolarHBondContact O-N 3.24Å; G72-G122 VanDerWaalsContact CA-C 3.42Å; G72-G122 WeakPolarHBondContact CA-O 3.37Å; G72-G122 CarbonylContact O-C 3.57Å; G72-G122 VanDerWaalsContact O-C 3.31Å; G72-G122 VanDerWaalsContact O-CA 3.3Å; G72-G122 WeakPolarHBondContact O-CA 3.15Å; G72-A126 VanDerWaalsContact CA-CB 3.41Å |
| 73 | V | 91 | Very high | 92.8 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.012 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.8 | -47.2 | 172.4 | 174.2 | 0 | 0 | 0 | 0 | 111 | V69 A70 E71 L75 G76 I77 L98 I100 F101 V123 | V69-V73 WeakPolarHBondContact O-CG2 3.34Å; V69-V73 PolarHBondContact O-N 3.32Å; V69-V73 VanDerWaalsContact O-N 3.09Å; A70-V73 PolarHBondContact O-N 3.35Å; E71-V73 PolarHBondContact O-N 2.9Å; V73-L75 VanDerWaalsContact C-N 3.34Å; V73-L75 PolarHBondContact O-N 3.34Å; V73-G76 PolarHBondContact O-N 3.47Å; V73-I77 PolarHBondContact O-N 2.9Å; V73-L98 HydrophobicContact CG2-CD2 4.16Å; V73-I100 HydrophobicContact CG1-CB 3.97Å; V73-I100 HydrophobicContact CG1-CD1 3.24Å; V73-I100 HydrophobicContact CG1-CG1 4.19Å; V73-I100 HydrophobicContact CG1-CG2 4.31Å; V73-F101 HydrophobicContact CG2-CD2 4.2Å; V73-F101 HydrophobicContact CG2-CE2 3.23Å; V73-F101 HydrophobicContact CG2-CZ 3.7Å; V73-V123 HydrophobicContact CG2-CG2 3.59Å |
| 74 | K | 91 | Very high | 93.1 | Very high | 104 Ų | 104 | 34.4 Ų | 34.4 | 45% | 0.452 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -60.8 | -44.4 | 178.9 | -175.3 | -176.6 | 177.5 | -174.9 | 0 | 111.4 | A70 E71 G76 I77 Q78 | A70-K74 PolarHBondContact O-N 2.02Å; A70-K74 VanDerWaalsContact O-N 3.14Å; E71-K74 WeakPolarHBondContact O-CB 3.34Å; E71-K74 PolarHBondContact O-N 3.24Å; E71-K74 VanDerWaalsContact O-N 3.17Å; K74-G76 VanDerWaalsContact C-N 3.33Å; K74-G76 PolarHBondContact O-N 3.31Å; K74-I77 PolarHBondContact O-N 2.81Å; K74-Q78 WeakPolarHBondContact O-CB 2.94Å; K74-Q78 VanDerWaalsContact O-CG 3.31Å; K74-Q78 WeakPolarHBondContact O-CG 3.05Å; K74-Q78 PolarHBondContact O-N 2.93Å |
| 75 | L | 95.3 | Very high | 93.2 | Very high | 46 Ų | 46 | 36.6 Ų | 36.6 | 24% | 0.241 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57.7 | -45.9 | 175.4 | 177.1 | 63.8 | 0 | 0 | 0 | 111.2 | E71 G72 V73 I77 Q78 E79 F125 F227 | E71-L75 WeakPolarHBondContact O-CB 3Å; E71-L75 PolarHBondContact O-N 3.06Å; G72-L75 PolarHBondContact O-N 3.3Å; V73-L75 VanDerWaalsContact C-N 3.34Å; V73-L75 PolarHBondContact O-N 3.34Å; L75-I77 PolarHBondContact O-N 3.35Å; L75-Q78 PolarHBondContact O-N 3.43Å; L75-E79 PolarHBondContact O-N 3.29Å; L75-F125 HydrophobicContact CD2-CD1 3.44Å; L75-F125 VanDerWaalsContact CD2-CD1 3.44Å; L75-F125 HydrophobicContact CD2-CE1 3.84Å; L75-F125 HydrophobicContact CD2-CG 4.38Å; L75-F227 HydrophobicContact CD1-CB 4.39Å; L75-F227 HydrophobicContact CD1-CD1 3.84Å; L75-F227 HydrophobicContact CD1-CE1 4.43Å; L75-F227 HydrophobicContact CD1-CG 4.23Å; L75-F227 HydrophobicContact CD2-CB 4.23Å; L75-F227 HydrophobicContact CD2-CD1 4.01Å; L75-F227 HydrophobicContact CD2-CD2 3.97Å; L75-F227 HydrophobicContact CD2-CE1 4.36Å; L75-F227 HydrophobicContact CD2-CE2 4.35Å; L75-F227 HydrophobicContact CD2-CG 3.8Å; L75-F227 HydrophobicContact CG-CD1 3.6Å; L75-F227 HydrophobicContact CG-CD2 4.43Å; L75-F227 HydrophobicContact CG-CE1 3.8Å; L75-F227 HydrophobicContact CG-CG 3.94Å; L75-F227 HydrophobicContact CG-CZ 4.33Å |
| 76 | G | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.7 | -44.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | G72 V73 K74 E79 C80 | G72-G76 PolarHBondContact O-N 3.24Å; V73-G76 PolarHBondContact O-N 3.47Å; K74-G76 VanDerWaalsContact C-N 3.33Å; K74-G76 PolarHBondContact O-N 3.31Å; G76-E79 PolarHBondContact O-N 3.14Å; G76-C80 WeakPolarHBondContact O-CB 3.46Å; G76-C80 PolarHBondContact O-N 2.93Å |
| 77 | I | 91.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -71.8 | -38.7 | 178.7 | -63.1 | -48.9 | 0 | 0 | 0 | 112.6 | V73 K74 L75 E79 C80 Q81 I94 I100 V115 | V73-I77 PolarHBondContact O-N 2.9Å; K74-I77 PolarHBondContact O-N 2.81Å; L75-I77 PolarHBondContact O-N 3.35Å; I77-E79 VanDerWaalsContact C-N 3.27Å; I77-E79 PolarHBondContact O-N 2.97Å; I77-C80 WeakPolarHBondContact O-CB 3.06Å; I77-C80 PolarHBondContact O-N 2.67Å; I77-C80 VanDerWaalsContact O-N 3.16Å; I77-Q81 HydrophobicContact CG2-CG 4.41Å; I77-Q81 WeakPolarHBondContact O-CG 3.07Å; I77-Q81 PolarHBondContact O-N 2.62Å; I77-I94 HydrophobicContact CD1-CB 4.33Å; I77-I94 HydrophobicContact CD1-CG2 3.68Å; I77-I94 HydrophobicContact CG1-CG2 4.05Å; I77-I94 HydrophobicContact CG2-CB 4.39Å; I77-I94 HydrophobicContact CG2-CG2 4.46Å; I77-I100 HydrophobicContact CD1-CD1 3.94Å; I77-I100 HydrophobicContact CD1-CG1 4.44Å; I77-I100 HydrophobicContact CD1-CG2 4.27Å; I77-I100 HydrophobicContact CG1-CD1 3.37Å; I77-I100 HydrophobicContact CG1-CG1 4.36Å; I77-V115 HydrophobicContact CD1-CG1 4.04Å |
| 78 | Q | 94.5 | Very high | 93.3 | Very high | 93 Ų | 93 | 41.2 Ų | 41.2 | 44% | 0.435 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -59.9 | -42.2 | 173.9 | -74.9 | -179.3 | -13.4 | 0 | 0 | 111.2 | K74 L75 Q81 H82 | K74-Q78 WeakPolarHBondContact O-CB 2.94Å; K74-Q78 VanDerWaalsContact O-CG 3.31Å; K74-Q78 WeakPolarHBondContact O-CG 3.05Å; K74-Q78 PolarHBondContact O-N 2.93Å; L75-Q78 PolarHBondContact O-N 3.43Å; Q78-Q81 PolarHBondContact O-N 3.19Å; Q78-H82 WeakPolarHBondContact O-CB 3.04Å; Q78-H82 PolarHBondContact O-N 3.49Å |
| 79 | E | 97.8 | Very high | 93.2 | Very high | 10 Ų | 10 | 41.6 Ų | 41.6 | 5% | 0.047 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.9 | -36.5 | 175.6 | -169.6 | 52.2 | -142.2 | 0 | 0 | 111.6 | L75 G76 I77 Q81 H82 Q83 I118 F227 R228 | L75-E79 PolarHBondContact O-N 3.29Å; G76-E79 PolarHBondContact O-N 3.14Å; I77-E79 VanDerWaalsContact C-N 3.27Å; I77-E79 PolarHBondContact O-N 2.97Å; E79-Q81 PolarHBondContact O-N 2.85Å; E79-H82 WeakPolarHBondContact O-CB 3.35Å; E79-H82 PolarHBondContact O-N 3.22Å; E79-H82 IonicContact OE1-CG 2.96Å; E79-H82 IonicContact OE1-ND1 3.82Å; E79-H82 PolarHBondContact OE1-ND1 2.96Å; E79-H82 VanDerWaalsContact OE1-ND1 3.14Å; E79-H82 IonicContact OE2-ND1 2.67Å; E79-Q83 HydrophobicContact CG-CG 4.36Å; E79-Q83 WeakPolarHBondContact O-CB 3.39Å; E79-Q83 VanDerWaalsContact O-CG 3.29Å; E79-Q83 WeakPolarHBondContact O-CG 3.36Å; E79-Q83 PolarHBondContact O-N 3.4Å; E79-Q83 WeakPolarHBondContact OE1-CG 3.21Å; E79-Q83 PolarHBondContact OE1-NE2 3.34Å; E79-I118 HydrophobicContact CB-CG1 4.41Å; E79-I118 HydrophobicContact CG-CD1 4.3Å; E79-F227 HydrophobicContact CB-CD1 3.8Å; E79-F227 HydrophobicContact CB-CE1 3.57Å; E79-F227 HydrophobicContact CG-CD1 3.95Å; E79-F227 HydrophobicContact CG-CE1 3.94Å; E79-R228 VanDerWaalsContact CD-NE 3.27Å; E79-R228 VanDerWaalsContact OE1-CD 3.32Å; E79-R228 WeakPolarHBondContact OE1-CD 3.26Å; E79-R228 IonicContact OE1-CZ 3.98Å; E79-R228 IonicContact OE1-NE 3.58Å; E79-R228 PolarHBondContact OE1-NE 3.08Å; E79-R228 IonicContact OE2-CZ 2.68Å; E79-R228 IonicContact OE2-NE 2.75Å; E79-R228 PolarHBondContact OE2-NE 3.08Å; E79-R228 IonicContact OE2-NH2 2.88Å; E79-R228 PolarHBondContact OE2-NH2 3.29Å |
| 80 | C | 95.7 | Very high | 93 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.1 | -47.4 | 172 | -175.3 | 0 | 0 | 0 | 0 | 112.5 | G76 I77 H82 Q83 F84 C91 F114 I118 | G76-C80 WeakPolarHBondContact O-CB 3.46Å; G76-C80 PolarHBondContact O-N 2.93Å; I77-C80 WeakPolarHBondContact O-CB 3.06Å; I77-C80 PolarHBondContact O-N 2.67Å; I77-C80 VanDerWaalsContact O-N 3.16Å; C80-H82 VanDerWaalsContact C-N 3.27Å; C80-H82 PolarHBondContact O-N 2.75Å; C80-Q83 PolarHBondContact O-N 2.89Å; C80-F84 WeakPolarHBondContact O-CB 3.4Å; C80-F84 WeakPolarHBondContact O-CD2 3.23Å; C80-F84 PolarHBondContact O-N 3.48Å; C80-C91 HydrophobicContact CB-CB 3.94Å; C80-C91 WeakPolarHBondContact CB-SG 3.31Å; C80-C91 WeakPolarHBondContact SG-CB 3.45Å; C80-C91 CovalentContact SG-SG 2.03Å; C80-C91 PolarHBondContact SG-SG 3.12Å; C80-F114 HydrophobicContact CB-CE1 3.95Å; C80-I118 HydrophobicContact CB-CG2 4.16Å |
| 81 | Q | 93.9 | Very high | 93 | Very high | 59 Ų | 59 | 41.7 Ų | 41.7 | 28% | 0.276 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.6 | -38.7 | 175.3 | -69.7 | 171 | 5.5 | 0 | 0 | 111.3 | I77 Q78 E79 R85 C91 T92 | I77-Q81 HydrophobicContact CG2-CG 4.41Å; I77-Q81 WeakPolarHBondContact O-CG 3.07Å; I77-Q81 PolarHBondContact O-N 2.62Å; Q78-Q81 PolarHBondContact O-N 3.19Å; E79-Q81 PolarHBondContact O-N 2.85Å; Q81-R85 WeakPolarHBondContact O-CA 3.21Å; Q81-R85 WeakPolarHBondContact O-CB 2.97Å; Q81-R85 PolarHBondContact O-N 3.28Å; Q81-C91 HydrophobicContact CG-CB 4.09Å; Q81-T92 HydrophobicContact CG-CG2 4.38Å |
| 82 | H | 96.1 | Very high | 92.6 | Very high | 46 Ų | 46 | 38.7 Ų | 38.7 | 21% | 0.213 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.4 | -52.9 | 174 | 172.2 | -94.2 | 0 | 0 | 0 | 111.5 | Q78 E79 C80 F84 R85 R228 | Q78-H82 WeakPolarHBondContact O-CB 3.04Å; Q78-H82 PolarHBondContact O-N 3.49Å; E79-H82 WeakPolarHBondContact O-CB 3.35Å; E79-H82 PolarHBondContact O-N 3.22Å; E79-H82 IonicContact OE1-CG 2.96Å; E79-H82 IonicContact OE1-ND1 3.82Å; E79-H82 PolarHBondContact OE1-ND1 2.96Å; E79-H82 VanDerWaalsContact OE1-ND1 3.14Å; E79-H82 IonicContact OE2-ND1 2.67Å; C80-H82 VanDerWaalsContact C-N 3.27Å; C80-H82 PolarHBondContact O-N 2.75Å; H82-F84 VanDerWaalsContact C-N 3.25Å; H82-F84 PolarHBondContact O-N 3.35Å; H82-R85 PolarHBondContact CE1-NH1 2.65Å; H82-R85 VanDerWaalsContact CE1-NH1 3.31Å; H82-R85 PolarHBondContact NE2-NH1 2.94Å; H82-R85 WeakPolarHBondContact O-CD 3.48Å; H82-R85 VanDerWaalsContact O-CG 3.26Å; H82-R85 WeakPolarHBondContact O-CG 3.15Å; H82-R85 PolarHBondContact O-N 3.44Å; H82-R85 PolarHBondContact O-NH1 3.31Å; H82-R228 PolarHBondContact CD2-NH2 3.08Å; H82-R228 PolarHBondContact CE1-NE 2.78Å; H82-R228 PolarHBondContact CE1-NH1 3.3Å; H82-R228 VanDerWaalsContact CG-NH2 3.25Å; H82-R228 PolarHBondContact ND1-NE 2.8Å; H82-R228 PolarHBondContact ND1-NH2 2.7Å; H82-R228 VanDerWaalsContact NE2-CZ 3.34Å; H82-R228 PolarHBondContact NE2-NH1 3.43Å |
| 83 | Q | 97.1 | Very high | 91.4 | Very high | 25 Ų | 25 | 40.4 Ų | 40.4 | 12% | 0.117 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.5 | -31.6 | -177.6 | -70.1 | -60.1 | -21.1 | 0 | 0 | 112.8 | E79 C80 F114 D232 K235 | E79-Q83 HydrophobicContact CG-CG 4.36Å; E79-Q83 WeakPolarHBondContact O-CB 3.39Å; E79-Q83 VanDerWaalsContact O-CG 3.29Å; E79-Q83 WeakPolarHBondContact O-CG 3.36Å; E79-Q83 PolarHBondContact O-N 3.4Å; E79-Q83 WeakPolarHBondContact OE1-CG 3.21Å; E79-Q83 PolarHBondContact OE1-NE2 3.34Å; C80-Q83 PolarHBondContact O-N 2.89Å; Q83-F114 HydrophobicContact CB-CZ 4.29Å; Q83-F114 HydrophobicContact CG-CZ 4.22Å; Q83-D232 PolarHBondContact NE2-OD1 2.81Å; Q83-K235 HydrophobicContact CB-CD 4.25Å; Q83-K235 HydrophobicContact CB-CG 4.46Å; Q83-K235 HydrophobicContact CG-CB 4.3Å |
| 84 | F | 93.9 | Very high | 90.2 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -105.1 | 8.3 | -176.7 | -72.4 | -95.4 | 0 | 0 | 0 | 114.6 | C80 H82 G86 R87 W89 N90 F114 K235 Y238 | C80-F84 WeakPolarHBondContact O-CB 3.4Å; C80-F84 WeakPolarHBondContact O-CD2 3.23Å; C80-F84 PolarHBondContact O-N 3.48Å; H82-F84 VanDerWaalsContact C-N 3.25Å; H82-F84 PolarHBondContact O-N 3.35Å; F84-G86 PolarHBondContact O-N 2.04Å; F84-R87 HydrophobicContact CB-CB 4.5Å; F84-R87 HydrophobicContact CD1-CB 4.11Å; F84-R87 HydrophobicContact CD1-CG 4.08Å; F84-R87 PolarHBondContact O-N 3.04Å; F84-W89 HydrophobicContact CB-CE3 4.25Å; F84-W89 HydrophobicContact CB-CZ3 4.28Å; F84-W89 AromaticContact CD1-CE3 3.54Å; F84-W89 HydrophobicContact CD1-CE3 3.54Å; F84-W89 AromaticContact CD1-CZ3 3.68Å; F84-W89 HydrophobicContact CD1-CZ3 3.68Å; F84-W89 HydrophobicContact CD2-CE3 4.49Å; F84-W89 AromaticContact CD2-CZ3 3.85Å; F84-W89 HydrophobicContact CD2-CZ3 3.85Å; F84-W89 AromaticContact CE1-CE3 3.94Å; F84-W89 HydrophobicContact CE1-CE3 3.94Å; F84-W89 AromaticContact CE1-CZ3 3.87Å; F84-W89 HydrophobicContact CE1-CZ3 3.87Å; F84-W89 HydrophobicContact CE2-CZ3 4.06Å; F84-W89 AromaticContact CG-CE3 3.84Å; F84-W89 HydrophobicContact CG-CE3 3.84Å; F84-W89 AromaticContact CG-CZ3 3.66Å; F84-W89 HydrophobicContact CG-CZ3 3.66Å; F84-W89 HydrophobicContact CZ-CZ3 4.07Å; F84-N90 WeakPolarHBondContact O-CA 3.29Å; F84-F114 HydrophobicContact CD2-CD1 4.36Å; F84-F114 HydrophobicContact CD2-CE1 4.15Å; F84-F114 AromaticContact CE2-CD1 3.52Å; F84-F114 HydrophobicContact CE2-CD1 3.52Å; F84-F114 HydrophobicContact CE2-CD2 4.34Å; F84-F114 AromaticContact CE2-CE1 3.57Å; F84-F114 HydrophobicContact CE2-CE1 3.57Å; F84-F114 HydrophobicContact CE2-CE2 4.35Å; F84-F114 AromaticContact CE2-CG 3.93Å; F84-F114 HydrophobicContact CE2-CG 3.93Å; F84-F114 AromaticContact CE2-CZ 3.99Å; F84-F114 HydrophobicContact CE2-CZ 3.99Å; F84-F114 HydrophobicContact CZ-CD1 4.24Å; F84-F114 HydrophobicContact CZ-CG 4.28Å; F84-K235 HydrophobicContact CE2-CD 4.01Å; F84-K235 HydrophobicContact CZ-CD 4.05Å; F84-Y238 HydrophobicContact CE1-CD1 4.33Å; F84-Y238 HydrophobicContact CE1-CD2 4.45Å; F84-Y238 AromaticContact CE1-CE1 3.81Å; F84-Y238 HydrophobicContact CE1-CE1 3.81Å; F84-Y238 AromaticContact CE1-CE2 3.93Å; F84-Y238 HydrophobicContact CE1-CE2 3.93Å; F84-Y238 AromaticContact CE1-CZ 3.59Å; F84-Y238 AromaticContact CZ-CD1 3.95Å; F84-Y238 HydrophobicContact CZ-CD1 3.95Å; F84-Y238 AromaticContact CZ-CD2 3.83Å; F84-Y238 HydrophobicContact CZ-CD2 3.83Å; F84-Y238 AromaticContact CZ-CE1 3.89Å; F84-Y238 HydrophobicContact CZ-CE1 3.89Å; F84-Y238 AromaticContact CZ-CE2 3.74Å; F84-Y238 HydrophobicContact CZ-CE2 3.74Å; F84-Y238 AromaticContact CZ-CG 3.93Å; F84-Y238 HydrophobicContact CZ-CG 3.93Å; F84-Y238 AromaticContact CZ-CZ 3.79Å |
| 85 | R | 91.6 | Very high | 88.8 | Confident | 144 Ų | 144 | 43.6 Ų | 43.6 | 54% | 0.543 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -36.1 | -175.4 | 67.4 | -169 | -180 | -84.6 | 1.5 | 115 | Q81 H82 R298 | Q81-R85 WeakPolarHBondContact O-CA 3.21Å; Q81-R85 WeakPolarHBondContact O-CB 2.97Å; Q81-R85 PolarHBondContact O-N 3.28Å; H82-R85 PolarHBondContact CE1-NH1 2.65Å; H82-R85 VanDerWaalsContact CE1-NH1 3.31Å; H82-R85 PolarHBondContact NE2-NH1 2.94Å; H82-R85 WeakPolarHBondContact O-CD 3.48Å; H82-R85 VanDerWaalsContact O-CG 3.26Å; H82-R85 WeakPolarHBondContact O-CG 3.15Å; H82-R85 PolarHBondContact O-N 3.44Å; H82-R85 PolarHBondContact O-NH1 3.31Å; R85-R298 PolarHBondContact O-NH2 2.81Å |
| 86 | G | 88.7 | Confident | 87 | Confident | 10 Ų | 10 | 45.4 Ų | 45.4 | 10% | 0.103 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 2.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | F84 E308 | F84-G86 PolarHBondContact O-N 2.04Å; G86-E308 WeakPolarHBondContact CA-OE1 3.39Å |
| 87 | R | 92.2 | Very high | 85.3 | Confident | 70 Ų | 70 | 49.3 Ų | 49.3 | 26% | 0.264 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -96.7 | 154.9 | -178.9 | -63.8 | -111.7 | 177 | 174.1 | 6.4 | 110.7 | F84 W89 D239 R298 I307 | F84-R87 HydrophobicContact CB-CB 4.5Å; F84-R87 HydrophobicContact CD1-CB 4.11Å; F84-R87 HydrophobicContact CD1-CG 4.08Å; F84-R87 PolarHBondContact O-N 3.04Å; R87-W89 VanDerWaalsContact C-N 3.28Å; R87-W89 CarbonylContact C-O 3.58Å; R87-W89 VanDerWaalsContact CB-O 3.32Å; R87-W89 WeakPolarHBondContact CB-O 3.36Å; R87-W89 CarbonylContact O-C 3.59Å; R87-W89 PolarHBondContact O-N 3.37Å; R87-D239 IonicContact NH2-OD1 2.98Å; R87-D239 IonicContact NH2-OD2 3.28Å; R87-R298 PolarHBondContact O-NH1 3.26Å; R87-R298 PolarHBondContact O-NH2 2.94Å; R87-I307 HydrophobicContact CG-CG2 4.44Å; R87-I307 VanDerWaalsContact CZ-CD1 3.48Å; R87-I307 VanDerWaalsContact NH1-CD1 3.31Å |
| 88 | R | 92.9 | Very high | 83.7 | Confident | 85 Ų | 85 | 50.5 Ų | 50.5 | 32% | 0.321 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -55.7 | -40 | 179.3 | -63.2 | -180 | -174.8 | 153.6 | -0.2 | 113.1 | F283 T295 R298 L312 L313 C315 | R88-F283 HydrophobicContact CB-CB 3.81Å; R88-T295 HydrophobicContact CB-CG2 3.86Å; R88-T295 HydrophobicContact CG-CG2 3.91Å; R88-R298 PolarHBondContact O-NH1 3.46Å; R88-L312 VanDerWaalsContact CZ-O 3.25Å; R88-L312 PolarHBondContact NE-O 3.14Å; R88-L312 PolarHBondContact NH2-O 2.84Å; R88-L313 HydrophobicContact CG-CD1 4.12Å; R88-C315 PolarHBondContact NE-SG 2.97Å |
| 89 | W | 91.1 | Very high | 82 | Confident | 15 Ų | 15 | 47.2 Ų | 47.2 | 6% | 0.057 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -93.6 | 123.1 | 161.9 | 179.6 | 84.5 | 0 | 0 | 0 | 108.6 | F84 R87 C91 T93 E111 V115 F283 | F84-W89 HydrophobicContact CB-CE3 4.25Å; F84-W89 HydrophobicContact CB-CZ3 4.28Å; F84-W89 AromaticContact CD1-CE3 3.54Å; F84-W89 HydrophobicContact CD1-CE3 3.54Å; F84-W89 AromaticContact CD1-CZ3 3.68Å; F84-W89 HydrophobicContact CD1-CZ3 3.68Å; F84-W89 HydrophobicContact CD2-CE3 4.49Å; F84-W89 AromaticContact CD2-CZ3 3.85Å; F84-W89 HydrophobicContact CD2-CZ3 3.85Å; F84-W89 AromaticContact CE1-CE3 3.94Å; F84-W89 HydrophobicContact CE1-CE3 3.94Å; F84-W89 AromaticContact CE1-CZ3 3.87Å; F84-W89 HydrophobicContact CE1-CZ3 3.87Å; F84-W89 HydrophobicContact CE2-CZ3 4.06Å; F84-W89 AromaticContact CG-CE3 3.84Å; F84-W89 HydrophobicContact CG-CE3 3.84Å; F84-W89 AromaticContact CG-CZ3 3.66Å; F84-W89 HydrophobicContact CG-CZ3 3.66Å; F84-W89 HydrophobicContact CZ-CZ3 4.07Å; R87-W89 VanDerWaalsContact C-N 3.28Å; R87-W89 CarbonylContact C-O 3.58Å; R87-W89 VanDerWaalsContact CB-O 3.32Å; R87-W89 WeakPolarHBondContact CB-O 3.36Å; R87-W89 CarbonylContact O-C 3.59Å; R87-W89 PolarHBondContact O-N 3.37Å; W89-C91 HydrophobicContact CH2-CB 3.6Å; W89-C91 WeakPolarHBondContact CH2-SG 3.33Å; W89-C91 HydrophobicContact CZ2-CB 3.91Å; W89-C91 HydrophobicContact CZ3-CB 3.92Å; W89-T93 PolarHBondContact NE1-OG1 3.29Å; W89-E111 HydrophobicContact CD2-CB 4.11Å; W89-E111 HydrophobicContact CD2-CG 3.72Å; W89-E111 HydrophobicContact CE3-CB 4Å; W89-E111 HydrophobicContact CE3-CG 3.53Å; W89-E111 HydrophobicContact CG-CG 4.2Å; W89-E111 HydrophobicContact CH2-CB 3.99Å; W89-E111 HydrophobicContact CH2-CG 4.44Å; W89-E111 HydrophobicContact CZ2-CB 4.11Å; W89-E111 HydrophobicContact CZ3-CB 3.94Å; W89-E111 HydrophobicContact CZ3-CG 3.93Å; W89-V115 HydrophobicContact CH2-CG2 3.63Å; W89-V115 HydrophobicContact CZ2-CG2 4.04Å; W89-F283 HydrophobicContact CB-CB 4.49Å; W89-F283 HydrophobicContact CB-CD1 3.87Å; W89-F283 HydrophobicContact CB-CD2 3.83Å; W89-F283 HydrophobicContact CB-CE1 3.92Å; W89-F283 HydrophobicContact CB-CE2 3.89Å; W89-F283 HydrophobicContact CB-CG 3.82Å; W89-F283 HydrophobicContact CB-CZ 3.93Å; W89-F283 AromaticContact CD1-CE1 3.71Å; W89-F283 HydrophobicContact CG-CD1 4.31Å; W89-F283 HydrophobicContact CG-CE1 4.01Å; W89-F283 HydrophobicContact CG-CZ 4.13Å |
| 90 | N | 89.9 | Confident | 80.3 | Confident | 37 Ų | 37 | 47.1 Ų | 47.1 | 20% | 0.198 | 23% | 0.225 | C | C | . | . | trans | -117.3 | 17.5 | -172 | 67.6 | -17.5 | 0 | 0 | 0 | 113.4 | F84 T92 | F84-N90 WeakPolarHBondContact O-CA 3.29Å; N90-T92 WeakPolarHBondContact ND2-CG2 3.46Å; N90-T92 PolarHBondContact ND2-OG1 2.59Å; N90-T92 PolarHBondContact O-N 3Å; N90-T92 VanDerWaalsContact O-N 3.1Å; N90-T92 PolarHBondContact OD1-N 3.45Å; N90-T92 PolarHBondContact OD1-OG1 3.1Å | ||
| 91 | C | 88.9 | Confident | 78.4 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | S | Bend | trans | 62.3 | 11.7 | 178.8 | -153.5 | 0 | 0 | 0 | 0 | 116.4 | C80 Q81 W89 T93 | C80-C91 HydrophobicContact CB-CB 3.94Å; C80-C91 WeakPolarHBondContact CB-SG 3.31Å; C80-C91 WeakPolarHBondContact SG-CB 3.45Å; C80-C91 CovalentContact SG-SG 2.03Å; C80-C91 PolarHBondContact SG-SG 3.12Å; Q81-C91 HydrophobicContact CG-CB 4.09Å; W89-C91 HydrophobicContact CH2-CB 3.6Å; W89-C91 WeakPolarHBondContact CH2-SG 3.33Å; W89-C91 HydrophobicContact CZ2-CB 3.91Å; W89-C91 HydrophobicContact CZ3-CB 3.92Å; C91-T93 VanDerWaalsContact C-N 3.3Å; C91-T93 PolarHBondContact O-N 2.59Å |
| 92 | T | 81.8 | Confident | 76.6 | Confident | 66 Ų | 66 | 44.7 Ų | 44.7 | 41% | 0.405 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -6.7 | 177.8 | 62.1 | 0 | 0 | 0 | 0 | 113.9 | Q81 N90 I94 | Q81-T92 HydrophobicContact CG-CG2 4.38Å; N90-T92 WeakPolarHBondContact ND2-CG2 3.46Å; N90-T92 PolarHBondContact ND2-OG1 2.59Å; N90-T92 PolarHBondContact O-N 3Å; N90-T92 VanDerWaalsContact O-N 3.1Å; N90-T92 PolarHBondContact OD1-N 3.45Å; N90-T92 PolarHBondContact OD1-OG1 3.1Å; T92-I94 PolarHBondContact O-N 3.34Å |
| 93 | T | 69.8 | Low | 74.7 | Confident | 35 Ų | 35 | 46.4 Ų | 46.4 | 22% | 0.215 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -16.4 | 174.4 | 56.4 | 0 | 0 | 0 | 0 | 112.4 | W89 C91 G291 F293 | W89-T93 PolarHBondContact NE1-OG1 3.29Å; C91-T93 VanDerWaalsContact C-N 3.3Å; C91-T93 PolarHBondContact O-N 2.59Å; T93-G291 WeakPolarHBondContact CG2-O 3.45Å; T93-F293 HydrophobicContact CG2-CD2 3.51Å; T93-F293 HydrophobicContact CG2-CE2 3.47Å; T93-F293 VanDerWaalsContact CG2-CE2 3.47Å |
| 94 | I | 65.1 | Low | 72.6 | Confident | 6 Ų | 6 | 48.2 Ų | 48.2 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -90.5 | 108.2 | -179.2 | -48.1 | -56.9 | 0 | 0 | 0 | 108.2 | I77 T92 I100 V104 L105 | I77-I94 HydrophobicContact CD1-CB 4.33Å; I77-I94 HydrophobicContact CD1-CG2 3.68Å; I77-I94 HydrophobicContact CG1-CG2 4.05Å; I77-I94 HydrophobicContact CG2-CB 4.39Å; I77-I94 HydrophobicContact CG2-CG2 4.46Å; T92-I94 PolarHBondContact O-N 3.34Å; I94-I100 HydrophobicContact CG2-CD1 3.8Å; I94-I100 HydrophobicContact CG2-CG1 3.46Å; I94-I100 VanDerWaalsContact CG2-CG1 3.46Å; I94-V104 HydrophobicContact CD1-CG1 4.15Å; I94-L105 HydrophobicContact CD1-CD1 4.09Å; I94-L105 HydrophobicContact CD1-CD2 3.91Å; I94-L105 HydrophobicContact CD1-CG 3.93Å |
| 95 | K | 62.2 | Low | 71.2 | Confident | 167 Ų | 167 | 49.4 Ų | 49.4 | 73% | 0.726 | 25% | 0.249 | S | C | * | . | trans | -69.1 | 137.1 | 169.4 | -67.8 | -176.1 | 179.2 | -179.6 | 0 | 108.3 | N97 | K95-N97 PolarHBondContact O-N 3.34Š| ||
| 96 | D | 57.6 | Low | 70.2 | Confident | 84 Ų | 84 | 49 Ų | 49 | 45% | 0.449 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -63.3 | 29.7 | -178.3 | -62.4 | -32.5 | 0 | 0 | 0 | 115.2 | ||
| 97 | N | 59.3 | Low | 70.1 | Confident | 83 Ų | 83 | 52.6 Ų | 52.6 | 44% | 0.444 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -89.1 | 143.9 | 178.4 | -70.4 | -10.3 | 0 | 0 | 0 | 109.9 | K95 A99 I100 | K95-N97 PolarHBondContact O-N 3.34Å; N97-A99 HydrophobicContact CB-CB 4.26Å; N97-A99 PolarHBondContact O-N 3.48Å; N97-I100 VanDerWaalsContact O-CD1 3.28Å; N97-I100 WeakPolarHBondContact O-CD1 3.41Å; N97-I100 VanDerWaalsContact O-CG1 3.24Å; N97-I100 WeakPolarHBondContact O-CG1 3.37Å; N97-I100 PolarHBondContact O-N 2.64Å |
| 98 | L | 57.9 | Low | 70.1 | Confident | 25 Ų | 25 | 49.3 Ų | 49.3 | 13% | 0.131 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -51.4 | -13.9 | 170.4 | -78.3 | 156.6 | 0 | 0 | 0 | 114.3 | I48 V69 A70 V73 I100 F172 | I48-L98 HydrophobicContact CD1-CD1 4.32Å; I48-L98 HydrophobicContact CG2-CB 3.96Å; I48-L98 HydrophobicContact CG2-CD1 3.41Å; I48-L98 VanDerWaalsContact CG2-CD1 3.41Å; I48-L98 HydrophobicContact CG2-CG 4.31Å; V69-L98 HydrophobicContact CG1-CD2 4.37Å; A70-L98 HydrophobicContact CB-CD1 3.92Å; A70-L98 HydrophobicContact CB-CD2 4Å; A70-L98 HydrophobicContact CB-CG 4.18Å; V73-L98 HydrophobicContact CG2-CD2 4.16Å; L98-I100 PolarHBondContact O-N 2.96Å; L98-F172 HydrophobicContact CD2-CE1 4.3Å; L98-F172 HydrophobicContact CD2-CZ 4.29Å |
| 99 | A | 59.2 | Low | 70.2 | Confident | 23 Ų | 23 | 45.6 Ų | 45.6 | 19% | 0.19 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -65.6 | -1.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | N97 F101 G102 V104 | N97-A99 HydrophobicContact CB-CB 4.26Å; N97-A99 PolarHBondContact O-N 3.48Å; A99-F101 PolarHBondContact O-N 2.85Å; A99-G102 VanDerWaalsContact O-CA 3.27Å; A99-G102 WeakPolarHBondContact O-CA 3.44Å; A99-G102 PolarHBondContact O-N 3.26Å; A99-V104 WeakPolarHBondContact O-CG2 2.93Å |
| 100 | I | 60.6 | Low | 70.4 | Confident | 9 Ų | 9 | 47.8 Ų | 47.8 | 5% | 0.046 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -55.9 | -32.1 | 171.1 | -76.2 | 154.2 | 0 | 0 | 0 | 112.3 | V73 I77 I94 N97 L98 G102 V115 A119 | V73-I100 HydrophobicContact CG1-CB 3.97Å; V73-I100 HydrophobicContact CG1-CD1 3.24Å; V73-I100 HydrophobicContact CG1-CG1 4.19Å; V73-I100 HydrophobicContact CG1-CG2 4.31Å; I77-I100 HydrophobicContact CD1-CD1 3.94Å; I77-I100 HydrophobicContact CD1-CG1 4.44Å; I77-I100 HydrophobicContact CD1-CG2 4.27Å; I77-I100 HydrophobicContact CG1-CD1 3.37Å; I77-I100 HydrophobicContact CG1-CG1 4.36Å; I94-I100 HydrophobicContact CG2-CD1 3.8Å; I94-I100 HydrophobicContact CG2-CG1 3.46Å; I94-I100 VanDerWaalsContact CG2-CG1 3.46Å; N97-I100 VanDerWaalsContact O-CD1 3.28Å; N97-I100 WeakPolarHBondContact O-CD1 3.41Å; N97-I100 VanDerWaalsContact O-CG1 3.24Å; N97-I100 WeakPolarHBondContact O-CG1 3.37Å; N97-I100 PolarHBondContact O-N 2.64Å; L98-I100 PolarHBondContact O-N 2.96Å; I100-G102 PolarHBondContact O-N 2.87Å; I100-G102 VanDerWaalsContact O-N 3.1Å; I100-V115 HydrophobicContact CG2-CG1 4.33Å; I100-A119 HydrophobicContact CG2-CB 4Å |
| 101 | F | 57.1 | Low | 70.6 | Confident | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.009 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -73.7 | 7 | 170.8 | -61 | -64.6 | 0 | 0 | 0 | 113.4 | V73 A99 A119 V123 F172 A173 R176 | V73-F101 HydrophobicContact CG2-CD2 4.2Å; V73-F101 HydrophobicContact CG2-CE2 3.23Å; V73-F101 HydrophobicContact CG2-CZ 3.7Å; A99-F101 PolarHBondContact O-N 2.85Å; F101-A119 HydrophobicContact CE1-CB 4.08Å; F101-A119 HydrophobicContact CZ-CB 4.28Å; F101-V123 HydrophobicContact CE2-CG2 3.97Å; F101-V123 HydrophobicContact CZ-CG2 3.64Å; F101-F172 AromaticContact CD2-CD1 3.82Å; F101-F172 HydrophobicContact CD2-CD1 3.82Å; F101-F172 AromaticContact CD2-CE1 3.47Å; F101-F172 HydrophobicContact CD2-CE1 3.47Å; F101-F172 VanDerWaalsContact CD2-CE1 3.47Å; F101-F172 AromaticContact CE2-CD1 3.69Å; F101-F172 HydrophobicContact CE2-CD1 3.69Å; F101-F172 AromaticContact CE2-CE1 3.57Å; F101-F172 HydrophobicContact CE2-CE1 3.57Å; F101-A173 HydrophobicContact CD1-CB 3.64Å; F101-A173 HydrophobicContact CE1-CB 3.56Å; F101-A173 HydrophobicContact CG-CB 4.39Å; F101-A173 HydrophobicContact CZ-CB 4.23Å; F101-R176 WeakPolarHBondContact O-CD 3.2Å; F101-R176 PolarHBondContact O-NE 2.81Å |
| 102 | G | 56.6 | Low | 70.7 | Confident | 5 Ų | 5 | 46.6 Ų | 46.6 | 5% | 0.052 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -162.9 | 176 | 0 | 0 | 0 | 0 | 0 | 116.3 | A99 I100 V104 | A99-G102 VanDerWaalsContact O-CA 3.27Å; A99-G102 WeakPolarHBondContact O-CA 3.44Å; A99-G102 PolarHBondContact O-N 3.26Å; I100-G102 PolarHBondContact O-N 2.87Å; I100-G102 VanDerWaalsContact O-N 3.1Å; G102-V104 PolarHBondContact O-N 2.73Å |
| 103 | P | 54.7 | Low | 71.4 | Confident | 83 Ų | 83 | 43.4 Ų | 43.4 | 54% | 0.539 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | 13.2 | -171.7 | -8.7 | 27.3 | 0 | 0 | 0 | 112.5 | L105 D106 | P103-L105 CarbonylContact O-C 3.54Å; P103-L105 PolarHBondContact O-N 2.71Å; P103-D106 WeakPolarHBondContact CB-OD1 3.02Å; P103-D106 WeakPolarHBondContact O-CA 3.07Å; P103-D106 PolarHBondContact O-N 3.02Å |
| 104 | V | 52.5 | Low | 72.7 | Confident | 62 Ų | 62 | 41.8 Ų | 41.8 | 38% | 0.376 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -66.4 | -4 | -158.9 | 177.8 | 0 | 0 | 0 | 0 | 113.9 | I94 A99 G102 | I94-V104 HydrophobicContact CD1-CG1 4.15Å; A99-V104 WeakPolarHBondContact O-CG2 2.93Å; G102-V104 PolarHBondContact O-N 2.73Å |
| 105 | L | 64.9 | Low | 74.1 | Confident | 26 Ų | 26 | 41.6 Ų | 41.6 | 14% | 0.136 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -129.1 | 73.6 | 163.7 | -73.3 | 160.5 | 0 | 0 | 0 | 108.5 | I94 P103 K107 S112 V115 R183 | I94-L105 HydrophobicContact CD1-CD1 4.09Å; I94-L105 HydrophobicContact CD1-CD2 3.91Å; I94-L105 HydrophobicContact CD1-CG 3.93Å; P103-L105 CarbonylContact O-C 3.54Å; P103-L105 PolarHBondContact O-N 2.71Å; L105-K107 PolarHBondContact O-N 2.69Å; L105-S112 WeakPolarHBondContact CB-OG 3.39Å; L105-V115 HydrophobicContact CD1-CB 3.46Å; L105-V115 VanDerWaalsContact CD1-CB 3.46Å; L105-V115 HydrophobicContact CD1-CG1 3.72Å; L105-V115 HydrophobicContact CD1-CG2 3.62Å; L105-R183 PolarHBondContact O-NH1 2.82Å; L105-R183 PolarHBondContact O-NH2 2.89Å |
| 106 | D | 71.4 | Confident | 75.7 | Confident | 136 Ų | 136 | 34 Ų | 34 | 73% | 0.727 | 18% | 0.183 | S | C | * | . | trans | -50.4 | -27.6 | -170.4 | -73.2 | -47 | 0 | 0 | 0 | 113.7 | P103 R183 | P103-D106 WeakPolarHBondContact CB-OD1 3.02Å; P103-D106 WeakPolarHBondContact O-CA 3.07Å; P103-D106 PolarHBondContact O-N 3.02Å; D106-R183 PolarHBondContact O-NH1 2.76Å | ||
| 107 | K | 85.6 | Confident | 77.6 | Confident | 86 Ų | 86 | 30 Ų | 30 | 37% | 0.374 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -93 | 140.7 | 176.1 | -61.7 | -166.9 | 179.4 | -168.5 | 0 | 113.4 | L105 T109 S112 R183 E278 | L105-K107 PolarHBondContact O-N 2.69Å; K107-T109 HydrophobicContact CB-CG2 3.72Å; K107-T109 PolarHBondContact O-N 3.46Å; K107-S112 WeakPolarHBondContact O-CB 3.35Å; K107-S112 PolarHBondContact O-OG 2.96Å; K107-R183 PolarHBondContact O-NH1 2.89Å; K107-E278 WeakPolarHBondContact CA-OE2 3.36Å; K107-E278 WeakPolarHBondContact CB-OE2 3.36Å |
| 108 | A | 93.5 | Very high | 79.4 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -82.6 | 53.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | M186 Y277 E278 | A108-M186 HydrophobicContact CB-CE 4.24Å; A108-M186 HydrophobicContact CB-SD 3.6Å; A108-Y277 HydrophobicContact CB-CD1 3.68Å; A108-Y277 HydrophobicContact CB-CD2 3.96Å; A108-Y277 HydrophobicContact CB-CE1 3.26Å; A108-Y277 HydrophobicContact CB-CE2 3.55Å; A108-Y277 HydrophobicContact CB-CG 4.01Å; A108-Y277 PolarHBondContact O-N 3.45Å; A108-E278 HydrophobicContact CB-CB 4.31Å; A108-E278 HydrophobicContact CB-CG 4.05Å; A108-E278 PolarHBondContact N-OE2 3.39Å; A108-E278 PolarHBondContact O-N 3.26Å | ||
| 109 | T | 94.2 | Very high | 81.2 | Confident | 7 Ų | 7 | 24.8 Ų | 24.8 | 4% | 0.043 | 14% | 0.135 | C | C | . | . | trans | -83.1 | 167.6 | -178.6 | 69.7 | 0 | 0 | 0 | 0 | 112.1 | K107 E111 S112 A113 | K107-T109 HydrophobicContact CB-CG2 3.72Å; K107-T109 PolarHBondContact O-N 3.46Å; T109-E111 VanDerWaalsContact C-N 3.28Å; T109-E111 WeakPolarHBondContact CB-OE2 3.32Å; T109-E111 PolarHBondContact O-N 3.2Å; T109-E111 PolarHBondContact OG1-N 2.75Å; T109-E111 PolarHBondContact OG1-OE2 3.3Å; T109-S112 WeakPolarHBondContact O-CB 3.26Å; T109-S112 PolarHBondContact O-N 2.82Å; T109-S112 PolarHBondContact OG1-N 3.13Å; T109-S112 PolarHBondContact OG1-OG 3.38Å; T109-A113 PolarHBondContact O-N 2.68Å; T109-A113 VanDerWaalsContact O-N 3.12Å | ||
| 110 | R | 95.8 | Very high | 82.9 | Confident | 62 Ų | 62 | 23.7 Ų | 23.7 | 23% | 0.234 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.6 | -37.3 | 173.7 | -165 | -171 | -74.9 | -147.7 | -0.6 | 112.4 | S112 A113 F114 Y238 D239 A241 Y276 | R110-S112 VanDerWaalsContact C-N 3.31Å; R110-S112 PolarHBondContact O-N 3.14Å; R110-A113 WeakPolarHBondContact O-CB 3.44Å; R110-A113 PolarHBondContact O-N 3.01Å; R110-F114 PolarHBondContact O-N 3.39Å; R110-Y238 HydrophobicContact CB-CD2 4.44Å; R110-Y238 HydrophobicContact CB-CE2 3.92Å; R110-Y238 VanDerWaalsContact CD-O 3.3Å; R110-Y238 WeakPolarHBondContact CD-O 3.27Å; R110-Y238 HydrophobicContact CG-CD2 3.59Å; R110-Y238 HydrophobicContact CG-CE2 3.45Å; R110-Y238 VanDerWaalsContact CG-CE2 3.45Å; R110-Y238 HydrophobicContact CG-CG 4.34Å; R110-Y238 WeakPolarHBondContact O-CD2 3.44Å; R110-D239 PolarHBondContact NH1-O 3.47Å; R110-D239 VanDerWaalsContact NH1-O 3.13Å; R110-A241 HydrophobicContact CG-CB 3.88Å; R110-Y276 HydrophobicContact CB-CD1 4.13Å; R110-Y276 HydrophobicContact CB-CD2 4.46Å; R110-Y276 HydrophobicContact CB-CE1 4.34Å; R110-Y276 HydrophobicContact CB-CG 4.18Å; R110-Y276 HydrophobicContact CG-CD1 4.14Å; R110-Y276 HydrophobicContact CG-CE1 4.24Å; R110-Y276 PolarHBondContact NH2-OH 2.97Å |
| 111 | E | 93.1 | Very high | 84.7 | Confident | 10 Ų | 10 | 23.3 Ų | 23.3 | 5% | 0.047 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.8 | -41.7 | 176 | -66.9 | 66.8 | -142 | 0 | 0 | 110.5 | W89 T109 A113 F114 V115 Y238 S280 F283 | W89-E111 HydrophobicContact CD2-CB 4.11Å; W89-E111 HydrophobicContact CD2-CG 3.72Å; W89-E111 HydrophobicContact CE3-CB 4Å; W89-E111 HydrophobicContact CE3-CG 3.53Å; W89-E111 HydrophobicContact CG-CG 4.2Å; W89-E111 HydrophobicContact CH2-CB 3.99Å; W89-E111 HydrophobicContact CH2-CG 4.44Å; W89-E111 HydrophobicContact CZ2-CB 4.11Å; W89-E111 HydrophobicContact CZ3-CB 3.94Å; W89-E111 HydrophobicContact CZ3-CG 3.93Å; T109-E111 VanDerWaalsContact C-N 3.28Å; T109-E111 WeakPolarHBondContact CB-OE2 3.32Å; T109-E111 PolarHBondContact O-N 3.2Å; T109-E111 PolarHBondContact OG1-N 2.75Å; T109-E111 PolarHBondContact OG1-OE2 3.3Å; E111-A113 VanDerWaalsContact C-N 3.35Å; E111-A113 PolarHBondContact O-N 3Å; E111-F114 PolarHBondContact O-N 3.38Å; E111-V115 WeakPolarHBondContact O-CG2 3.4Å; E111-V115 PolarHBondContact O-N 3.31Å; E111-Y238 HydrophobicContact CG-CE2 4.27Å; E111-Y238 PolarHBondContact OE1-OH 2.79Å; E111-S280 PolarHBondContact OE1-OG 2.75Å; E111-S280 VanDerWaalsContact OE2-CB 3.3Å; E111-S280 WeakPolarHBondContact OE2-CB 3.42Å; E111-S280 PolarHBondContact OE2-OG 2.92Å; E111-F283 HydrophobicContact CG-CE2 4.39Å; E111-F283 HydrophobicContact CG-CZ 4.12Å |
| 112 | S | 92.6 | Very high | 86.7 | Confident | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.007 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60 | -44.2 | 175.8 | -44.1 | 0 | 0 | 0 | 0 | 112.4 | L105 K107 T109 R110 F114 V115 H116 | L105-S112 WeakPolarHBondContact CB-OG 3.39Å; K107-S112 WeakPolarHBondContact O-CB 3.35Å; K107-S112 PolarHBondContact O-OG 2.96Å; T109-S112 WeakPolarHBondContact O-CB 3.26Å; T109-S112 PolarHBondContact O-N 2.82Å; T109-S112 PolarHBondContact OG1-N 3.13Å; T109-S112 PolarHBondContact OG1-OG 3.38Å; R110-S112 VanDerWaalsContact C-N 3.31Å; R110-S112 PolarHBondContact O-N 3.14Å; S112-F114 VanDerWaalsContact C-N 3.31Å; S112-F114 PolarHBondContact O-N 2.84Å; S112-V115 PolarHBondContact O-N 2.93Å; S112-H116 PolarHBondContact O-CD2 3.26Å; S112-H116 VanDerWaalsContact O-CD2 3.26Å; S112-H116 PolarHBondContact O-N 3.3Å; S112-H116 VanDerWaalsContact O-N 3.07Å |
| 113 | A | 96.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -56.8 | -45.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | T109 R110 E111 A117 N190 L274 V275 | T109-A113 PolarHBondContact O-N 2.68Å; T109-A113 VanDerWaalsContact O-N 3.12Å; R110-A113 WeakPolarHBondContact O-CB 3.44Å; R110-A113 PolarHBondContact O-N 3.01Å; E111-A113 VanDerWaalsContact C-N 3.35Å; E111-A113 PolarHBondContact O-N 3Å; A113-A117 PolarHBondContact O-N 3Å; A113-A117 VanDerWaalsContact O-N 3.13Å; A113-N190 VanDerWaalsContact CA-ND2 3.34Å; A113-N190 WeakPolarHBondContact CA-ND2 3.39Å; A113-N190 WeakPolarHBondContact CB-ND2 3.47Å; A113-L274 HydrophobicContact CB-CB 4.3Å; A113-V275 WeakPolarHBondContact CB-O 3.29Å |
| 114 | F | 96.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.4 | -43.5 | 177.8 | 178.9 | -88.6 | 0 | 0 | 0 | 112.6 | C80 Q83 F84 R110 E111 S112 H116 A117 I118 L234 K235 Y238 L274 | C80-F114 HydrophobicContact CB-CE1 3.95Å; Q83-F114 HydrophobicContact CB-CZ 4.29Å; Q83-F114 HydrophobicContact CG-CZ 4.22Å; F84-F114 HydrophobicContact CD2-CD1 4.36Å; F84-F114 HydrophobicContact CD2-CE1 4.15Å; F84-F114 AromaticContact CE2-CD1 3.52Å; F84-F114 HydrophobicContact CE2-CD1 3.52Å; F84-F114 HydrophobicContact CE2-CD2 4.34Å; F84-F114 AromaticContact CE2-CE1 3.57Å; F84-F114 HydrophobicContact CE2-CE1 3.57Å; F84-F114 HydrophobicContact CE2-CE2 4.35Å; F84-F114 AromaticContact CE2-CG 3.93Å; F84-F114 HydrophobicContact CE2-CG 3.93Å; F84-F114 AromaticContact CE2-CZ 3.99Å; F84-F114 HydrophobicContact CE2-CZ 3.99Å; F84-F114 HydrophobicContact CZ-CD1 4.24Å; F84-F114 HydrophobicContact CZ-CG 4.28Å; R110-F114 PolarHBondContact O-N 3.39Å; E111-F114 PolarHBondContact O-N 3.38Å; S112-F114 VanDerWaalsContact C-N 3.31Å; S112-F114 PolarHBondContact O-N 2.84Å; F114-H116 VanDerWaalsContact C-N 3.34Å; F114-H116 PolarHBondContact O-N 2.67Å; F114-A117 PolarHBondContact O-N 3.4Å; F114-I118 HydrophobicContact CD1-CB 4.5Å; F114-I118 HydrophobicContact CD1-CG2 4.13Å; F114-I118 HydrophobicContact CE1-CB 4.01Å; F114-I118 HydrophobicContact CE1-CG1 4.36Å; F114-I118 HydrophobicContact CE1-CG2 3.81Å; F114-I118 HydrophobicContact CZ-CB 4.16Å; F114-I118 HydrophobicContact CZ-CD1 4.48Å; F114-I118 HydrophobicContact CZ-CG1 4.27Å; F114-I118 HydrophobicContact CZ-CG2 4.46Å; F114-I118 WeakPolarHBondContact O-CG2 3.37Å; F114-I118 PolarHBondContact O-N 3.19Å; F114-L234 HydrophobicContact CD2-CB 4.24Å; F114-L234 WeakPolarHBondContact CD2-O 3.28Å; F114-L234 HydrophobicContact CE2-CB 3.73Å; F114-K235 HydrophobicContact CE2-CB 4.2Å; F114-Y238 HydrophobicContact CB-CD2 3.77Å; F114-Y238 HydrophobicContact CB-CG 4.38Å; F114-Y238 HydrophobicContact CG-CD2 4.43Å; F114-L274 HydrophobicContact CB-CD1 4.28Å; F114-L274 HydrophobicContact CD2-CD1 4.44Å |
| 115 | V | 94.8 | Very high | 92.9 | Very high | 3 Ų | 3 | 17.1 Ų | 17.1 | 2% | 0.018 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -60.6 | -44 | 179.5 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | I77 W89 I100 L105 E111 S112 A117 A119 | I77-V115 HydrophobicContact CD1-CG1 4.04Å; W89-V115 HydrophobicContact CH2-CG2 3.63Å; W89-V115 HydrophobicContact CZ2-CG2 4.04Å; I100-V115 HydrophobicContact CG2-CG1 4.33Å; L105-V115 HydrophobicContact CD1-CB 3.46Å; L105-V115 VanDerWaalsContact CD1-CB 3.46Å; L105-V115 HydrophobicContact CD1-CG1 3.72Å; L105-V115 HydrophobicContact CD1-CG2 3.62Å; E111-V115 WeakPolarHBondContact O-CG2 3.4Å; E111-V115 PolarHBondContact O-N 3.31Å; S112-V115 PolarHBondContact O-N 2.93Å; V115-A117 VanDerWaalsContact C-N 3.35Å; V115-A117 PolarHBondContact O-N 3.49Å; V115-A119 WeakPolarHBondContact O-CB 3.32Å; V115-A119 PolarHBondContact O-N 3.26Å |
| 116 | H | 94.4 | Very high | 94.4 | Very high | 6 Ų | 6 | 16.2 Ų | 16.2 | 3% | 0.028 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62 | -42.2 | 176.5 | -86 | -78.7 | 0 | 0 | 0 | 112.1 | S112 F114 S120 R183 N187 N190 N191 | S112-H116 PolarHBondContact O-CD2 3.26Å; S112-H116 VanDerWaalsContact O-CD2 3.26Å; S112-H116 PolarHBondContact O-N 3.3Å; S112-H116 VanDerWaalsContact O-N 3.07Å; F114-H116 VanDerWaalsContact C-N 3.34Å; F114-H116 PolarHBondContact O-N 2.67Å; H116-S120 VanDerWaalsContact O-CB 3.29Å; H116-S120 WeakPolarHBondContact O-CB 3.46Å; H116-S120 PolarHBondContact O-N 3.4Å; H116-S120 VanDerWaalsContact O-N 3.08Å; H116-S120 PolarHBondContact O-OG 2.85Å; H116-R183 PolarHBondContact NE2-NH2 3.42Å; H116-N187 PolarHBondContact CD2-OD1 3.16Å; H116-N187 VanDerWaalsContact CE1-CG 3.45Å; H116-N187 PolarHBondContact CE1-ND2 2.99Å; H116-N187 VanDerWaalsContact CE1-ND2 3.33Å; H116-N187 PolarHBondContact NE2-ND2 2.03Å; H116-N187 PolarHBondContact NE2-OD1 3.5Å; H116-N190 HydrophobicContact CB-CB 4.22Å; H116-N191 VanDerWaalsContact CB-OD1 3.31Å; H116-N191 WeakPolarHBondContact CB-OD1 3Å; H116-N191 PolarHBondContact ND1-OD1 3.45Å; H116-N191 PolarHBondContact O-OD1 2.9Å |
| 117 | A | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -66 | -51.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A113 F114 V115 A119 S120 A121 N190 G194 L234 L274 | A113-A117 PolarHBondContact O-N 3Å; A113-A117 VanDerWaalsContact O-N 3.13Å; F114-A117 PolarHBondContact O-N 3.4Å; V115-A117 VanDerWaalsContact C-N 3.35Å; V115-A117 PolarHBondContact O-N 3.49Å; A117-A119 PolarHBondContact O-N 3.02Å; A117-S120 PolarHBondContact O-N 3.41Å; A117-A121 VanDerWaalsContact O-CB 3.3Å; A117-A121 WeakPolarHBondContact O-CB 3.44Å; A117-A121 PolarHBondContact O-N 3.12Å; A117-N190 VanDerWaalsContact CA-O 3.28Å; A117-N190 WeakPolarHBondContact CA-O 3.3Å; A117-N190 VanDerWaalsContact CB-O 3.28Å; A117-N190 WeakPolarHBondContact CB-O 3.47Å; A117-G194 WeakPolarHBondContact O-CA 3.48Å; A117-L234 HydrophobicContact CB-CD1 4.47Å; A117-L234 HydrophobicContact CB-CD2 4.13Å; A117-L274 HydrophobicContact CB-CD2 3.57Å |
| 118 | I | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -69.2 | -32.7 | -176.6 | -162.7 | 65.7 | 0 | 0 | 0 | 112.4 | E79 C80 F114 G122 F227 L234 | E79-I118 HydrophobicContact CB-CG1 4.41Å; E79-I118 HydrophobicContact CG-CD1 4.3Å; C80-I118 HydrophobicContact CB-CG2 4.16Å; F114-I118 HydrophobicContact CD1-CB 4.5Å; F114-I118 HydrophobicContact CD1-CG2 4.13Å; F114-I118 HydrophobicContact CE1-CB 4.01Å; F114-I118 HydrophobicContact CE1-CG1 4.36Å; F114-I118 HydrophobicContact CE1-CG2 3.81Å; F114-I118 HydrophobicContact CZ-CB 4.16Å; F114-I118 HydrophobicContact CZ-CD1 4.48Å; F114-I118 HydrophobicContact CZ-CG1 4.27Å; F114-I118 HydrophobicContact CZ-CG2 4.46Å; F114-I118 WeakPolarHBondContact O-CG2 3.37Å; F114-I118 PolarHBondContact O-N 3.19Å; I118-G122 PolarHBondContact O-N 3.18Å; I118-F227 HydrophobicContact CD1-CE1 3.9Å; I118-F227 HydrophobicContact CD1-CZ 3.74Å; I118-F227 HydrophobicContact CG1-CE1 4.21Å; I118-F227 HydrophobicContact CG1-CZ 4.16Å; I118-L234 HydrophobicContact CB-CD1 4.34Å; I118-L234 HydrophobicContact CD1-CD1 3.63Å |
| 119 | A | 94.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -68.6 | -44.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | I100 F101 V115 A117 G122 V123 | I100-A119 HydrophobicContact CG2-CB 4Å; F101-A119 HydrophobicContact CE1-CB 4.08Å; F101-A119 HydrophobicContact CZ-CB 4.28Å; V115-A119 WeakPolarHBondContact O-CB 3.32Å; V115-A119 PolarHBondContact O-N 3.26Å; A117-A119 PolarHBondContact O-N 3.02Å; A119-G122 PolarHBondContact O-N 2.9Å; A119-V123 PolarHBondContact O-N 3.46Å |
| 120 | S | 96.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -65.2 | -39.6 | 176.8 | -59.9 | 0 | 0 | 0 | 0 | 112 | H116 A117 A124 S169 N191 | H116-S120 VanDerWaalsContact O-CB 3.29Å; H116-S120 WeakPolarHBondContact O-CB 3.46Å; H116-S120 PolarHBondContact O-N 3.4Å; H116-S120 VanDerWaalsContact O-N 3.08Å; H116-S120 PolarHBondContact O-OG 2.85Å; A117-S120 PolarHBondContact O-N 3.41Å; S120-A124 PolarHBondContact O-N 3.32Å; S120-A124 VanDerWaalsContact O-N 3.16Å; S120-S169 PolarHBondContact O-OG 3.24Å; S120-N191 WeakPolarHBondContact CB-O 3.39Å; S120-N191 WeakPolarHBondContact OG-CA 3.47Å; S120-N191 VanDerWaalsContact OG-CB 3.28Å; S120-N191 WeakPolarHBondContact OG-CB 3.5Å; S120-N191 PolarHBondContact OG-OD1 3.46Å; S120-N191 VanDerWaalsContact OG-OD1 3.06Å |
| 121 | A | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 6.1 Ų | 6.1 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -62.4 | -45.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A117 V123 A124 F125 G194 I198 F227 L234 | A117-A121 VanDerWaalsContact O-CB 3.3Å; A117-A121 WeakPolarHBondContact O-CB 3.44Å; A117-A121 PolarHBondContact O-N 3.12Å; A121-V123 PolarHBondContact O-N 2.96Å; A121-A124 PolarHBondContact O-N 3.2Å; A121-F125 VanDerWaalsContact O-CB 3.26Å; A121-F125 WeakPolarHBondContact O-CB 3.39Å; A121-F125 PolarHBondContact O-N 3.46Å; A121-G194 WeakPolarHBondContact CB-O 3.47Å; A121-I198 HydrophobicContact CB-CD1 4.05Å; A121-I198 HydrophobicContact CB-CG1 4.45Å; A121-F227 HydrophobicContact CB-CE2 4.4Å; A121-L234 HydrophobicContact CB-CD1 4.09Å |
| 122 | G | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -60.2 | -43.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | G72 I118 A119 F125 A126 | G72-G122 VanDerWaalsContact CA-C 3.42Å; G72-G122 WeakPolarHBondContact CA-O 3.37Å; G72-G122 CarbonylContact O-C 3.57Å; G72-G122 VanDerWaalsContact O-C 3.31Å; G72-G122 VanDerWaalsContact O-CA 3.3Å; G72-G122 WeakPolarHBondContact O-CA 3.15Å; I118-G122 PolarHBondContact O-N 3.18Å; A119-G122 PolarHBondContact O-N 2.9Å; G122-F125 PolarHBondContact O-N 3.27Å; G122-A126 WeakPolarHBondContact O-CB 3.21Å; G122-A126 PolarHBondContact O-N 3.07Å |
| 123 | V | 96.7 | Very high | 96.7 | Very high | 1 Ų | 1 | 12.9 Ų | 12.9 | 1% | 0.006 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -61.5 | -49.4 | 173.7 | 172.5 | 0 | 0 | 0 | 0 | 111.5 | V69 V73 F101 A119 A121 F125 V127 | V69-V123 HydrophobicContact CB-CG1 4.41Å; V69-V123 HydrophobicContact CG1-CG1 4.02Å; V69-V123 HydrophobicContact CG1-CG2 4.15Å; V69-V123 HydrophobicContact CG2-CG1 4.2Å; V73-V123 HydrophobicContact CG2-CG2 3.59Å; F101-V123 HydrophobicContact CE2-CG2 3.97Å; F101-V123 HydrophobicContact CZ-CG2 3.64Å; A119-V123 PolarHBondContact O-N 3.46Å; A121-V123 PolarHBondContact O-N 2.96Å; V123-F125 VanDerWaalsContact C-N 3.29Å; V123-F125 PolarHBondContact O-N 3.28Å; V123-V127 HydrophobicContact CG1-CG2 4.31Å; V123-V127 WeakPolarHBondContact O-CB 3.49Å; V123-V127 VanDerWaalsContact O-CG2 3.23Å; V123-V127 WeakPolarHBondContact O-CG2 3.15Å; V123-V127 PolarHBondContact O-N 3.39Å |
| 124 | A | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -59.3 | -44.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111 | S120 A121 T128 G165 V166 I198 | S120-A124 PolarHBondContact O-N 3.32Å; S120-A124 VanDerWaalsContact O-N 3.16Å; A121-A124 PolarHBondContact O-N 3.2Å; A124-T128 WeakPolarHBondContact O-CB 3.29Å; A124-T128 PolarHBondContact O-N 3.45Å; A124-T128 PolarHBondContact O-OG1 3.05Å; A124-T128 VanDerWaalsContact O-OG1 3.12Å; A124-G165 WeakPolarHBondContact CA-O 3.44Å; A124-V166 HydrophobicContact CB-CG2 4.07Å; A124-I198 HydrophobicContact CB-CG1 3.97Å |
| 125 | F | 98.6 | Very high | 95.9 | Very high | 21 Ų | 21 | 19.9 Ų | 19.9 | 9% | 0.092 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.7 | -52.8 | -179.9 | -178.7 | -88.2 | 0 | 0 | 0 | 113.3 | L75 A121 G122 V123 T128 R129 I198 Q224 P225 F227 L230 | L75-F125 HydrophobicContact CD2-CD1 3.44Å; L75-F125 VanDerWaalsContact CD2-CD1 3.44Å; L75-F125 HydrophobicContact CD2-CE1 3.84Å; L75-F125 HydrophobicContact CD2-CG 4.38Å; A121-F125 VanDerWaalsContact O-CB 3.26Å; A121-F125 WeakPolarHBondContact O-CB 3.39Å; A121-F125 PolarHBondContact O-N 3.46Å; G122-F125 PolarHBondContact O-N 3.27Å; V123-F125 VanDerWaalsContact C-N 3.29Å; V123-F125 PolarHBondContact O-N 3.28Å; F125-T128 PolarHBondContact O-N 3.26Å; F125-R129 WeakPolarHBondContact O-CB 3.4Å; F125-R129 PolarHBondContact O-N 3.38Å; F125-I198 HydrophobicContact CB-CD1 4.19Å; F125-Q224 VanDerWaalsContact CA-OE1 3.29Å; F125-Q224 HydrophobicContact CD2-CB 4.22Å; F125-Q224 HydrophobicContact CD2-CG 4.47Å; F125-Q224 HydrophobicContact CE2-CB 3.84Å; F125-Q224 PolarHBondContact O-NE2 2.98Å; F125-P225 VanDerWaalsContact CE2-O 3.28Å; F125-P225 WeakPolarHBondContact CE2-O 3.45Å; F125-F227 HydrophobicContact CB-CD2 3.91Å; F125-F227 HydrophobicContact CB-CE2 3.95Å; F125-F227 HydrophobicContact CD1-CB 4.49Å; F125-F227 AromaticContact CD1-CD2 3.92Å; F125-F227 HydrophobicContact CD1-CD2 3.92Å; F125-F227 HydrophobicContact CD1-CG 4.5Å; F125-F227 AromaticContact CD2-CD2 3.8Å; F125-F227 HydrophobicContact CD2-CD2 3.8Å; F125-F227 HydrophobicContact CE1-CB 4.16Å; F125-F227 HydrophobicContact CE1-CD2 4.4Å; F125-F227 HydrophobicContact CE2-CB 4.3Å; F125-F227 HydrophobicContact CE2-CD2 4.29Å; F125-F227 AromaticContact CG-CD2 3.6Å; F125-F227 HydrophobicContact CG-CD2 3.6Å; F125-F227 HydrophobicContact CG-CE2 4.17Å; F125-F227 HydrophobicContact CZ-CB 4.05Å; F125-L230 HydrophobicContact CD2-CD1 3.81Å; F125-L230 HydrophobicContact CE2-CD1 4.27Å |
| 126 | A | 97.6 | Very high | 95.3 | Very high | 8 Ų | 8 | 20.4 Ų | 20.4 | 7% | 0.066 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -67.8 | -38.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112 | S68 G72 G122 R129 S130 | S68-A126 WeakPolarHBondContact O-CB 3.45Å; G72-A126 VanDerWaalsContact CA-CB 3.41Å; G122-A126 WeakPolarHBondContact O-CB 3.21Å; G122-A126 PolarHBondContact O-N 3.07Å; A126-R129 PolarHBondContact O-N 2.79Å; A126-S130 VanDerWaalsContact O-CB 3.22Å; A126-S130 WeakPolarHBondContact O-CB 3.38Å; A126-S130 PolarHBondContact O-N 3.28Å |
| 127 | V | 97.2 | Very high | 95 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.9 | -49.9 | 175.3 | 171.8 | 0 | 0 | 0 | 0 | 110.5 | V69 V123 R129 S130 C131 F164 V168 | V69-V127 HydrophobicContact CG2-CG2 3.85Å; V123-V127 HydrophobicContact CG1-CG2 4.31Å; V123-V127 WeakPolarHBondContact O-CB 3.49Å; V123-V127 VanDerWaalsContact O-CG2 3.23Å; V123-V127 WeakPolarHBondContact O-CG2 3.15Å; V123-V127 PolarHBondContact O-N 3.39Å; V127-R129 VanDerWaalsContact C-N 3.31Å; V127-R129 PolarHBondContact O-N 3.1Å; V127-S130 PolarHBondContact O-N 2.76Å; V127-C131 WeakPolarHBondContact O-CB 3.48Å; V127-C131 PolarHBondContact O-N 2.84Å; V127-C131 PolarHBondContact O-SG 3.25Å; V127-F164 HydrophobicContact CG1-CD1 4.02Å; V127-F164 HydrophobicContact CG1-CE1 3.87Å; V127-V168 HydrophobicContact CB-CG1 4.44Å; V127-V168 HydrophobicContact CG1-CB 4.14Å; V127-V168 HydrophobicContact CG1-CG1 4.11Å; V127-V168 HydrophobicContact CG1-CG2 4.14Å; V127-V168 HydrophobicContact CG2-CG1 3.82Å |
| 128 | T | 97.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.4 | -43 | 177.6 | -69.6 | 0 | 0 | 0 | 0 | 112 | A124 F125 C131 A132 E160 D161 A162 G165 Q224 | A124-T128 WeakPolarHBondContact O-CB 3.29Å; A124-T128 PolarHBondContact O-N 3.45Å; A124-T128 PolarHBondContact O-OG1 3.05Å; A124-T128 VanDerWaalsContact O-OG1 3.12Å; F125-T128 PolarHBondContact O-N 3.26Å; T128-C131 PolarHBondContact O-N 3.03Å; T128-A132 PolarHBondContact O-N 3.04Å; T128-A132 VanDerWaalsContact O-N 3.08Å; T128-E160 HydrophobicContact CG2-CB 3.73Å; T128-D161 WeakPolarHBondContact CG2-O 3.47Å; T128-D161 PolarHBondContact OG1-O 2.88Å; T128-A162 HydrophobicContact CG2-CB 4.46Å; T128-A162 WeakPolarHBondContact OG1-CA 3.23Å; T128-G165 VanDerWaalsContact OG1-CA 3.3Å; T128-G165 WeakPolarHBondContact OG1-CA 3.35Å; T128-G165 PolarHBondContact OG1-N 3.45Å; T128-Q224 HydrophobicContact CG2-CG 4.31Å; T128-Q224 VanDerWaalsContact CG2-NE2 3.26Å |
| 129 | R | 96.6 | Very high | 94.2 | Very high | 63 Ų | 63 | 31.9 Ų | 31.9 | 24% | 0.238 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.3 | -49.5 | 177.9 | -178.1 | 65.9 | 65.2 | -170 | -3.6 | 111.7 | F125 A126 V127 C131 A132 E133 E160 | F125-R129 WeakPolarHBondContact O-CB 3.4Å; F125-R129 PolarHBondContact O-N 3.38Å; A126-R129 PolarHBondContact O-N 2.79Å; V127-R129 VanDerWaalsContact C-N 3.31Å; V127-R129 PolarHBondContact O-N 3.1Å; R129-C131 VanDerWaalsContact C-N 3.32Å; R129-C131 PolarHBondContact O-N 2.82Å; R129-A132 PolarHBondContact O-N 3.34Å; R129-A132 VanDerWaalsContact O-N 3.15Å; R129-E133 WeakPolarHBondContact CG-OE1 3.41Å; R129-E133 WeakPolarHBondContact O-CG 3.35Å; R129-E133 PolarHBondContact O-N 2.64Å; R129-E160 IonicContact CZ-OE1 3.4Å; R129-E160 IonicContact CZ-OE2 3.8Å; R129-E160 IonicContact NE-OE2 2.72Å; R129-E160 IonicContact NH1-OE1 3.66Å; R129-E160 PolarHBondContact NH1-OE1 2.93Å; R129-E160 IonicContact NH1-OE2 3.77Å; R129-E160 IonicContact NH2-OE1 2.9Å; R129-E160 PolarHBondContact NH2-OE1 3.19Å; R129-E160 IonicContact NH2-OE2 2.9Å |
| 130 | S | 96.3 | Very high | 94.2 | Very high | 15 Ų | 15 | 33.2 Ų | 33.2 | 11% | 0.105 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.8 | -40.3 | -179.9 | -173.5 | 0 | 0 | 0 | 0 | 112 | S68 A126 V127 E133 G134 T135 | S68-S130 VanDerWaalsContact OG-CB 3.28Å; S68-S130 WeakPolarHBondContact OG-CB 3.3Å; S68-S130 PolarHBondContact OG-OG 2.83Å; A126-S130 VanDerWaalsContact O-CB 3.22Å; A126-S130 WeakPolarHBondContact O-CB 3.38Å; A126-S130 PolarHBondContact O-N 3.28Å; V127-S130 PolarHBondContact O-N 2.76Å; S130-E133 PolarHBondContact O-N 2.81Å; S130-G134 PolarHBondContact O-N 2.97Å; S130-T135 PolarHBondContact O-OG1 3.44Å; S130-T135 PolarHBondContact OG-OG1 3.41Å |
| 131 | C | 95.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.007 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.5 | -43.4 | 173.6 | -66 | 0 | 0 | 0 | 0 | 112.5 | V127 T128 R129 E133 G134 C139 G140 F164 | V127-C131 WeakPolarHBondContact O-CB 3.48Å; V127-C131 PolarHBondContact O-N 2.84Å; V127-C131 PolarHBondContact O-SG 3.25Å; T128-C131 PolarHBondContact O-N 3.03Å; R129-C131 VanDerWaalsContact C-N 3.32Å; R129-C131 PolarHBondContact O-N 2.82Å; C131-E133 VanDerWaalsContact C-N 3.25Å; C131-E133 PolarHBondContact O-N 3.24Å; C131-G134 PolarHBondContact O-N 3.47Å; C131-G134 VanDerWaalsContact O-N 3.09Å; C131-C139 VanDerWaalsContact CA-SG 3.52Å; C131-C139 HydrophobicContact CB-CB 3.7Å; C131-C139 WeakPolarHBondContact CB-SG 3.4Å; C131-C139 WeakPolarHBondContact SG-CB 3.43Å; C131-C139 CovalentContact SG-SG 2.02Å; C131-C139 PolarHBondContact SG-SG 2.74Å; C131-G140 CarbonylContact O-C 3.59Å; C131-G140 WeakPolarHBondContact O-CA 3.02Å; C131-F164 VanDerWaalsContact SG-CE1 3.55Å |
| 132 | A | 95.8 | Very high | 94 | Very high | 21 Ų | 21 | 37.4 Ų | 37.4 | 17% | 0.174 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.3 | -25.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | T128 R129 G134 C158 E160 | T128-A132 PolarHBondContact O-N 3.04Å; T128-A132 VanDerWaalsContact O-N 3.08Å; R129-A132 PolarHBondContact O-N 3.34Å; R129-A132 VanDerWaalsContact O-N 3.15Å; A132-G134 VanDerWaalsContact C-N 3.27Å; A132-C158 PolarHBondContact O-SG 2.9Å; A132-E160 HydrophobicContact CB-CB 4.39Å; A132-E160 HydrophobicContact CB-CG 3.78Å |
| 133 | E | 94.1 | Very high | 93.4 | Very high | 131 Ų | 131 | 42.8 Ų | 42.8 | 61% | 0.612 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -76.7 | -12.7 | 173.7 | -71.3 | 171.8 | -173.6 | 0 | 0 | 113.1 | R129 S130 C131 T135 | R129-E133 WeakPolarHBondContact CG-OE1 3.41Å; R129-E133 WeakPolarHBondContact O-CG 3.35Å; R129-E133 PolarHBondContact O-N 2.64Å; S130-E133 PolarHBondContact O-N 2.81Å; C131-E133 VanDerWaalsContact C-N 3.25Å; C131-E133 PolarHBondContact O-N 3.24Å; E133-T135 HydrophobicContact CB-CG2 3.97Å |
| 134 | G | 91.2 | Very high | 92.9 | Very high | 57 Ų | 57 | 48.4 Ų | 48.4 | 59% | 0.588 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.9 | 26.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | S130 C131 A132 S136 | S130-G134 PolarHBondContact O-N 2.97Å; C131-G134 PolarHBondContact O-N 3.47Å; C131-G134 VanDerWaalsContact O-N 3.09Å; A132-G134 VanDerWaalsContact C-N 3.27Å; G134-S136 VanDerWaalsContact C-N 3.33Å |
| 135 | T | 85.4 | Confident | 91.8 | Very high | 91 Ų | 91 | 57 Ų | 57 | 56% | 0.558 | 33% | 0.332 | S | S | * | . | trans | -77.5 | -18.7 | 179.6 | 61 | 0 | 0 | 0 | 0 | 113.4 | S130 E133 | S130-T135 PolarHBondContact O-OG1 3.44Å; S130-T135 PolarHBondContact OG-OG1 3.41Å; E133-T135 HydrophobicContact CB-CG2 3.97Å | ||
| 136 | S | 83.9 | Confident | 90.8 | Very high | 14 Ų | 14 | 58.5 Ų | 58.5 | 10% | 0.098 | 34% | 0.338 | C | S | . | . | trans | -117.5 | 146.3 | -175.6 | 177.9 | 0 | 0 | 0 | 0 | 110.5 | I65 G134 M138 | I65-S136 WeakPolarHBondContact CG2-OG 3.48Å; G134-S136 VanDerWaalsContact C-N 3.33Å; S136-M138 PolarHBondContact OG-N 3.11Å | ||
| 137 | T | 87 | Confident | 90.2 | Very high | 119 Ų | 119 | 60 Ų | 60 | 73% | 0.73 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -85 | -17.2 | 175.9 | 66.6 | 0 | 0 | 0 | 0 | 112.8 | E64 | E64-T137 PolarHBondContact OE1-OG1 3.3Å; E64-T137 PolarHBondContact OE2-N 3.03Å; E64-T137 PolarHBondContact OE2-OG1 3.44Å |
| 138 | M | 86.2 | Confident | 89.7 | Confident | 103 Ų | 103 | 66 Ų | 66 | 51% | 0.507 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -85.4 | -13.6 | -173.6 | -67.3 | -68.9 | -67.7 | 0 | 0 | 114 | S136 | S136-M138 PolarHBondContact OG-N 3.11Š|
| 139 | C | 93.3 | Very high | 89.4 | Confident | 25 Ų | 25 | 68.7 Ų | 68.7 | 17% | 0.169 | 41% | 0.411 | C | S | . | . | trans | -150.5 | 168.5 | -177.5 | 60.8 | 0 | 0 | 0 | 0 | 110.6 | C131 F164 | C131-C139 VanDerWaalsContact CA-SG 3.52Å; C131-C139 HydrophobicContact CB-CB 3.7Å; C131-C139 WeakPolarHBondContact CB-SG 3.4Å; C131-C139 WeakPolarHBondContact SG-CB 3.43Å; C131-C139 CovalentContact SG-SG 2.02Å; C131-C139 PolarHBondContact SG-SG 2.74Å; C139-F164 HydrophobicContact CB-CD1 3.86Å; C139-F164 HydrophobicContact CB-CE1 3.47Å; C139-F164 VanDerWaalsContact CB-CE1 3.47Å; C139-F164 HydrophobicContact CB-CE2 4.42Å; C139-F164 HydrophobicContact CB-CG 4.48Å; C139-F164 HydrophobicContact CB-CZ 3.79Å | ||
| 140 | G | 94.2 | Very high | 89 | Confident | 28 Ų | 28 | 67.3 Ų | 67.3 | 29% | 0.289 | 42% | 0.417 | S | S | . | . | trans | -162.8 | -154.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | C131 | C131-G140 CarbonylContact O-C 3.59Å; C131-G140 WeakPolarHBondContact O-CA 3.02Å | ||
| 141 | C | 95 | Very high | 88.7 | Confident | 61 Ų | 61 | 76 Ų | 76 | 41% | 0.412 | 46% | 0.455 | S | S | . | . | B | Isolated β-bridge | trans | -67.4 | 150.4 | 170.1 | -49.3 | 0 | 0 | 0 | 0 | 110.9 | S143 C158 S159 | C141-S143 PolarHBondContact O-N 3.12Å; C141-S143 VanDerWaalsContact O-N 3.12Å; C141-C158 HydrophobicContact CB-CB 4.02Å; C141-C158 WeakPolarHBondContact CB-SG 3.24Å; C141-C158 VanDerWaalsContact SG-CA 3.6Å; C141-C158 WeakPolarHBondContact SG-CB 3.28Å; C141-C158 CovalentContact SG-SG 2.02Å; C141-C158 PolarHBondContact SG-SG 3.34Å; C141-S159 CarbonylContact C-O 3.5Å; C141-S159 WeakPolarHBondContact CA-O 2.9Å |
| 142 | D | 94.5 | Very high | 88.4 | Confident | 26 Ų | 26 | 78.4 Ų | 78.4 | 14% | 0.139 | 48% | 0.48 | C | S | . | . | trans | -60.8 | 115.4 | 171.7 | 167.3 | 35.1 | 0 | 0 | 0 | 110.8 | H144 K146 S159 D161 | D142-H144 VanDerWaalsContact OD1-CB 3.27Å; D142-H144 WeakPolarHBondContact OD1-CB 3.44Å; D142-H144 IonicContact OD1-CE1 3.96Å; D142-H144 IonicContact OD1-CG 3.37Å; D142-H144 PolarHBondContact OD1-N 2.9Å; D142-H144 IonicContact OD1-ND1 2.76Å; D142-H144 PolarHBondContact OD1-ND1 3.34Å; D142-K146 WeakPolarHBondContact O-CE 3.34Å; D142-K146 PolarHBondContact O-NZ 2.87Å; D142-K146 WeakPolarHBondContact OD2-CE 3.34Å; D142-S159 PolarHBondContact N-O 3.49Å; D142-D161 HydrophobicContact CB-CB 4.1Å | ||
| 143 | S | 87.1 | Confident | 88.4 | Confident | 113 Ų | 113 | 79.4 Ų | 79.4 | 79% | 0.79 | 48% | 0.48 | S | S | * | . | trans | -97.7 | -0.2 | 179.1 | 62 | 0 | 0 | 0 | 0 | 113.8 | C141 | C141-S143 PolarHBondContact O-N 3.12Å; C141-S143 VanDerWaalsContact O-N 3.12Å | ||
| 144 | H | 86.3 | Confident | 88.3 | Confident | 119 Ų | 119 | 80.5 Ų | 80.5 | 55% | 0.551 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -62.1 | 149.5 | 179 | -63.9 | 91.3 | 0 | 0 | 0 | 110.7 | D142 K146 | D142-H144 VanDerWaalsContact OD1-CB 3.27Å; D142-H144 WeakPolarHBondContact OD1-CB 3.44Å; D142-H144 IonicContact OD1-CE1 3.96Å; D142-H144 IonicContact OD1-CG 3.37Å; D142-H144 PolarHBondContact OD1-N 2.9Å; D142-H144 IonicContact OD1-ND1 2.76Å; D142-H144 PolarHBondContact OD1-ND1 3.34Å; H144-K146 PolarHBondContact O-N 2.9Å |
| 145 | H | 74.1 | Confident | 88.5 | Confident | 182 Ų | 182 | 80.9 Ų | 80.9 | 84% | 0.843 | 47% | 0.466 | S | S | * | . | trans | -67.5 | 100.2 | -178.3 | -170.4 | 75.8 | 0 | 0 | 0 | 109.8 | G147 | H145-G147 PolarHBondContact O-N 3.13Š| ||
| 146 | K | 78.3 | Confident | 88.8 | Confident | 51 Ų | 51 | 77.9 Ų | 77.9 | 22% | 0.222 | 45% | 0.453 | C | S | . | . | trans | -68.7 | 125.5 | 171.3 | -62.3 | 149.7 | -156.4 | 174 | 0 | 106.4 | D142 H144 W155 S159 | D142-K146 WeakPolarHBondContact O-CE 3.34Å; D142-K146 PolarHBondContact O-NZ 2.87Å; D142-K146 WeakPolarHBondContact OD2-CE 3.34Å; H144-K146 PolarHBondContact O-N 2.9Å; K146-W155 HydrophobicContact CB-CD2 3.71Å; K146-W155 VanDerWaalsContact CB-CE2 3.47Å; K146-W155 HydrophobicContact CB-CE3 4.24Å; K146-W155 HydrophobicContact CB-CG 4.05Å; K146-W155 HydrophobicContact CB-CH2 4.31Å; K146-W155 HydrophobicContact CB-CZ2 3.8Å; K146-W155 HydrophobicContact CD-CD2 3.97Å; K146-W155 HydrophobicContact CD-CE3 3.75Å; K146-W155 HydrophobicContact CD-CG 4.41Å; K146-W155 HydrophobicContact CD-CZ3 4.15Å; K146-W155 HydrophobicContact CG-CD2 4.25Å; K146-W155 HydrophobicContact CG-CE3 4.29Å; K146-W155 HydrophobicContact CG-CH2 4.46Å; K146-W155 HydrophobicContact CG-CZ2 4.43Å; K146-W155 HydrophobicContact CG-CZ3 4.4Å; K146-S159 VanDerWaalsContact CE-OG 3.27Å; K146-S159 WeakPolarHBondContact CE-OG 3.27Å; K146-S159 PolarHBondContact NZ-OG 3.23Å | ||
| 147 | G | 85.1 | Confident | 89.2 | Confident | 40 Ų | 40 | 80.4 Ų | 80.4 | 41% | 0.412 | 48% | 0.482 | S | S | . | . | trans | -54.1 | 177.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | H145 W155 | H145-G147 PolarHBondContact O-N 3.13Å; G147-W155 PolarHBondContact O-NE1 2.74Å | ||
| 148 | P | 86.9 | Confident | 89.6 | Confident | 125 Ų | 125 | 76.3 Ų | 76.3 | 81% | 0.812 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -54 | 136.4 | -176.7 | 24.4 | -33.8 | 0 | 0 | 0 | 110.9 | ||
| 149 | P | 89.6 | Confident | 90.1 | Very high | 57 Ų | 57 | 71.4 Ų | 71.4 | 37% | 0.37 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 153.7 | 179.9 | 29.7 | -35.2 | 0 | 0 | 0 | 110.1 | W153 | P149-W153 HydrophobicContact CB-CD2 4.31Å; P149-W153 HydrophobicContact CB-CE3 3.98Å; P149-W153 HydrophobicContact CB-CH2 4.27Å; P149-W153 HydrophobicContact CB-CZ3 3.95Å; P149-W153 WeakPolarHBondContact CB-O 3.45Å |
| 150 | G | 88.3 | Confident | 90.3 | Very high | 35 Ų | 35 | 70.7 Ų | 70.7 | 36% | 0.361 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 170.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | G152 W153 | G150-G152 PolarHBondContact O-N 3.33Å; G150-W153 VanDerWaalsContact N-CE2 3.31Å |
| 151 | E | 90.8 | Very high | 90.4 | Very high | 196 Ų | 196 | 70.8 Ų | 70.8 | 92% | 0.916 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | 133.2 | -178.3 | -166.4 | 177.3 | 179.8 | 0 | 0 | 111.9 | W153 | E151-W153 VanDerWaalsContact O-CD1 3.31Š|
| 152 | G | 90.2 | Very high | 90.5 | Very high | 52 Ų | 52 | 68.2 Ų | 68.2 | 54% | 0.536 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.8 | 17.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | G150 K218 | G150-G152 PolarHBondContact O-N 3.33Å; G152-K218 WeakPolarHBondContact O-CE 3.49Å |
| 153 | W | 94.1 | Very high | 90.6 | Very high | 43 Ų | 43 | 73.5 Ų | 73.5 | 16% | 0.163 | 43% | 0.428 | C | S | . | . | trans | -153.3 | 168.9 | 171.8 | 60 | -83.4 | 0 | 0 | 0 | 113 | P149 G150 E151 W155 L204 K218 C220 | P149-W153 HydrophobicContact CB-CD2 4.31Å; P149-W153 HydrophobicContact CB-CE3 3.98Å; P149-W153 HydrophobicContact CB-CH2 4.27Å; P149-W153 HydrophobicContact CB-CZ3 3.95Å; P149-W153 WeakPolarHBondContact CB-O 3.45Å; G150-W153 VanDerWaalsContact N-CE2 3.31Å; E151-W153 VanDerWaalsContact O-CD1 3.31Å; W153-W155 HydrophobicContact CH2-CD2 4.04Å; W153-W155 AromaticContact CH2-CE2 3.67Å; W153-W155 HydrophobicContact CH2-CE3 4.21Å; W153-W155 AromaticContact CH2-CH2 3.8Å; W153-W155 HydrophobicContact CH2-CH2 3.8Å; W153-W155 AromaticContact CH2-CZ2 3.57Å; W153-W155 HydrophobicContact CH2-CZ2 3.57Å; W153-W155 HydrophobicContact CH2-CZ3 4.1Å; W153-W155 AromaticContact CZ3-CD2 3.61Å; W153-W155 HydrophobicContact CZ3-CD2 3.61Å; W153-W155 AromaticContact CZ3-CE2 3.73Å; W153-W155 AromaticContact CZ3-CE3 3.78Å; W153-W155 HydrophobicContact CZ3-CE3 3.78Å; W153-W155 HydrophobicContact CZ3-CG 4.14Å; W153-W155 HydrophobicContact CZ3-CH2 4.22Å; W153-W155 HydrophobicContact CZ3-CZ2 4.06Å; W153-W155 HydrophobicContact CZ3-CZ3 4.08Å; W153-L204 HydrophobicContact CH2-CD1 4Å; W153-L204 HydrophobicContact CH2-CD2 4.11Å; W153-L204 HydrophobicContact CZ2-CD1 3.79Å; W153-K218 WeakPolarHBondContact CA-O 3.31Å; W153-K218 HydrophobicContact CB-CD 4.23Å; W153-K218 HydrophobicContact CB-CG 3.51Å; W153-K218 WeakPolarHBondContact CB-O 3.48Å; W153-C220 HydrophobicContact CD2-CB 4.13Å; W153-C220 HydrophobicContact CE3-CB 3.51Å; W153-C220 HydrophobicContact CZ3-CB 3.74Å | ||
| 154 | K | 93.8 | Very high | 91.1 | Very high | 153 Ų | 153 | 70 Ų | 70 | 67% | 0.665 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 150.5 | 175.1 | -66 | -176.4 | 179.6 | 179.9 | 0 | 111 | K218 T219 C220 | K154-K218 PolarHBondContact N-O 3.36Å; K154-T219 VanDerWaalsContact O-CA 3.28Å; K154-T219 WeakPolarHBondContact O-CA 3.31Å; K154-C220 PolarHBondContact O-N 3.45Å |
| 155 | W | 94.9 | Very high | 91.6 | Very high | 65 Ų | 65 | 64.3 Ų | 64.3 | 25% | 0.246 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 143 | 167.4 | -67.5 | 111.9 | 0 | 0 | 0 | 110.9 | K146 G147 W153 L204 W222 | K146-W155 HydrophobicContact CB-CD2 3.71Å; K146-W155 VanDerWaalsContact CB-CE2 3.47Å; K146-W155 HydrophobicContact CB-CE3 4.24Å; K146-W155 HydrophobicContact CB-CG 4.05Å; K146-W155 HydrophobicContact CB-CH2 4.31Å; K146-W155 HydrophobicContact CB-CZ2 3.8Å; K146-W155 HydrophobicContact CD-CD2 3.97Å; K146-W155 HydrophobicContact CD-CE3 3.75Å; K146-W155 HydrophobicContact CD-CG 4.41Å; K146-W155 HydrophobicContact CD-CZ3 4.15Å; K146-W155 HydrophobicContact CG-CD2 4.25Å; K146-W155 HydrophobicContact CG-CE3 4.29Å; K146-W155 HydrophobicContact CG-CH2 4.46Å; K146-W155 HydrophobicContact CG-CZ2 4.43Å; K146-W155 HydrophobicContact CG-CZ3 4.4Å; G147-W155 PolarHBondContact O-NE1 2.74Å; W153-W155 HydrophobicContact CH2-CD2 4.04Å; W153-W155 AromaticContact CH2-CE2 3.67Å; W153-W155 HydrophobicContact CH2-CE3 4.21Å; W153-W155 AromaticContact CH2-CH2 3.8Å; W153-W155 HydrophobicContact CH2-CH2 3.8Å; W153-W155 AromaticContact CH2-CZ2 3.57Å; W153-W155 HydrophobicContact CH2-CZ2 3.57Å; W153-W155 HydrophobicContact CH2-CZ3 4.1Å; W153-W155 AromaticContact CZ3-CD2 3.61Å; W153-W155 HydrophobicContact CZ3-CD2 3.61Å; W153-W155 AromaticContact CZ3-CE2 3.73Å; W153-W155 AromaticContact CZ3-CE3 3.78Å; W153-W155 HydrophobicContact CZ3-CE3 3.78Å; W153-W155 HydrophobicContact CZ3-CG 4.14Å; W153-W155 HydrophobicContact CZ3-CH2 4.22Å; W153-W155 HydrophobicContact CZ3-CZ2 4.06Å; W153-W155 HydrophobicContact CZ3-CZ3 4.08Å; W155-L204 HydrophobicContact CH2-CD2 3.67Å; W155-L204 HydrophobicContact CZ3-CD2 3.58Å; W155-W222 AromaticContact CH2-CD1 3.95Å; W155-W222 AromaticContact CH2-CE2 4Å; W155-W222 AromaticContact CH2-NE1 3.42Å; W155-W222 AromaticContact CZ3-CD1 3.9Å; W155-W222 AromaticContact CZ3-NE1 3.87Å |
| 156 | G | 91.8 | Very high | 92.8 | Very high | 28 Ų | 28 | 55.8 Ų | 55.8 | 29% | 0.289 | 33% | 0.334 | S | S | . | . | trans | 172.7 | -179.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111 | C220 W221 | G156-C220 PolarHBondContact N-O 2.86Å; G156-W221 WeakPolarHBondContact O-CB 3.11Å | ||
| 157 | G | 91.9 | Very high | 93.6 | Very high | 67 Ų | 67 | 57.3 Ų | 57.3 | 69% | 0.691 | 34% | 0.344 | S | S | * | . | S | Bend | trans | 73.8 | -160.1 | -169.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 158 | C | 95.2 | Very high | 94.2 | Very high | 33 Ų | 33 | 55.5 Ų | 55.5 | 22% | 0.223 | 33% | 0.325 | C | S | . | . | trans | -106.7 | 104.9 | -179.5 | -176.3 | 0 | 0 | 0 | 0 | 109.2 | A132 C141 | A132-C158 PolarHBondContact O-SG 2.9Å; C141-C158 HydrophobicContact CB-CB 4.02Å; C141-C158 WeakPolarHBondContact CB-SG 3.24Å; C141-C158 VanDerWaalsContact SG-CA 3.6Å; C141-C158 WeakPolarHBondContact SG-CB 3.28Å; C141-C158 CovalentContact SG-SG 2.02Å; C141-C158 PolarHBondContact SG-SG 3.34Å | ||
| 159 | S | 96.8 | Very high | 94.6 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.007 | 29% | 0.286 | C | S | . | . | trans | -71 | 132.6 | 165.9 | -67.8 | 0 | 0 | 0 | 0 | 108.6 | C141 D142 K146 W222 | C141-S159 CarbonylContact C-O 3.5Å; C141-S159 WeakPolarHBondContact CA-O 2.9Å; D142-S159 PolarHBondContact N-O 3.49Å; K146-S159 VanDerWaalsContact CE-OG 3.27Å; K146-S159 WeakPolarHBondContact CE-OG 3.27Å; K146-S159 PolarHBondContact NZ-OG 3.23Å; S159-W222 WeakPolarHBondContact CA-O 3.38Å; S159-W222 PolarHBondContact OG-N 2.86Å | ||
| 160 | E | 97.1 | Very high | 95 | Very high | 9 Ų | 9 | 51.2 Ų | 51.2 | 4% | 0.042 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | -74.8 | 128.7 | 178.4 | -62.9 | -179.1 | -141.6 | 0 | 0 | 110.3 | T128 R129 A132 A162 M202 W222 Q224 | T128-E160 HydrophobicContact CG2-CB 3.73Å; R129-E160 IonicContact CZ-OE1 3.4Å; R129-E160 IonicContact CZ-OE2 3.8Å; R129-E160 IonicContact NE-OE2 2.72Å; R129-E160 IonicContact NH1-OE1 3.66Å; R129-E160 PolarHBondContact NH1-OE1 2.93Å; R129-E160 IonicContact NH1-OE2 3.77Å; R129-E160 IonicContact NH2-OE1 2.9Å; R129-E160 PolarHBondContact NH2-OE1 3.19Å; R129-E160 IonicContact NH2-OE2 2.9Å; A132-E160 HydrophobicContact CB-CB 4.39Å; A132-E160 HydrophobicContact CB-CG 3.78Å; E160-A162 PolarHBondContact O-N 3.07Å; E160-A162 VanDerWaalsContact O-N 3.14Å; E160-M202 HydrophobicContact CB-CE 4.12Å; E160-W222 PolarHBondContact N-O 2.96Å; E160-Q224 PolarHBondContact OE1-N 3.45Å; E160-Q224 WeakPolarHBondContact OE2-CB 3.3Å; E160-Q224 WeakPolarHBondContact OE2-CG 3.46Å; E160-Q224 PolarHBondContact OE2-N 2.98Å; E160-Q224 PolarHBondContact OE2-NE2 3.03Å |
| 161 | D | 97.1 | Very high | 95.3 | Very high | 31 Ų | 31 | 53.8 Ų | 53.8 | 17% | 0.166 | 29% | 0.288 | C | S | . | . | trans | -83.2 | 84.8 | 177.8 | -169.8 | -16.3 | 0 | 0 | 0 | 110.9 | T128 D142 E163 F164 G165 | T128-D161 WeakPolarHBondContact CG2-O 3.47Å; T128-D161 PolarHBondContact OG1-O 2.88Å; D142-D161 HydrophobicContact CB-CB 4.1Å; D161-E163 VanDerWaalsContact C-N 3.32Å; D161-E163 PolarHBondContact OD1-N 3.06Å; D161-F164 HydrophobicContact CB-CB 4.2Å; D161-F164 PolarHBondContact OD1-N 3.05Å; D161-G165 PolarHBondContact O-N 3.31Å | ||
| 162 | A | 97.4 | Very high | 95.4 | Very high | 7 Ų | 7 | 44.5 Ų | 44.5 | 6% | 0.058 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.8 | -29.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | T128 E160 G165 V166 I198 L199 M202 | T128-A162 HydrophobicContact CG2-CB 4.46Å; T128-A162 WeakPolarHBondContact OG1-CA 3.23Å; E160-A162 PolarHBondContact O-N 3.07Å; E160-A162 VanDerWaalsContact O-N 3.14Å; A162-G165 PolarHBondContact O-N 2.84Å; A162-V166 WeakPolarHBondContact O-CB 3.39Å; A162-V166 WeakPolarHBondContact O-CG2 3.46Å; A162-V166 PolarHBondContact O-N 3.03Å; A162-I198 HydrophobicContact CB-CG2 4.2Å; A162-L199 HydrophobicContact CB-CD2 3.76Å; A162-M202 HydrophobicContact CB-CE 3.96Å; A162-M202 HydrophobicContact CB-CG 3.96Å; A162-M202 HydrophobicContact CB-SD 3.67Å |
| 163 | E | 96.9 | Very high | 95.4 | Very high | 136 Ų | 136 | 42 Ų | 42 | 64% | 0.636 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -66.1 | -42.5 | 178.7 | -66.1 | -172.4 | -177.2 | 0 | 0 | 111 | D161 V166 L167 L199 | D161-E163 VanDerWaalsContact C-N 3.32Å; D161-E163 PolarHBondContact OD1-N 3.06Å; E163-V166 PolarHBondContact O-N 3.43Å; E163-L167 WeakPolarHBondContact O-CB 3.47Å; E163-L167 PolarHBondContact O-N 2.86Å; E163-L199 HydrophobicContact CG-CD2 4.2Å |
| 164 | F | 96.4 | Very high | 95.3 | Very high | 39 Ų | 39 | 41.3 Ų | 41.3 | 17% | 0.171 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.4 | -45.4 | 174.7 | -178.3 | -99.2 | 0 | 0 | 0 | 112.3 | I65 V127 C131 C139 D161 V166 L167 V168 | I65-F164 HydrophobicContact CD1-CE1 4.37Å; I65-F164 HydrophobicContact CD1-CZ 4.27Å; V127-F164 HydrophobicContact CG1-CD1 4.02Å; V127-F164 HydrophobicContact CG1-CE1 3.87Å; C131-F164 VanDerWaalsContact SG-CE1 3.55Å; C139-F164 HydrophobicContact CB-CD1 3.86Å; C139-F164 HydrophobicContact CB-CE1 3.47Å; C139-F164 VanDerWaalsContact CB-CE1 3.47Å; C139-F164 HydrophobicContact CB-CE2 4.42Å; C139-F164 HydrophobicContact CB-CG 4.48Å; C139-F164 HydrophobicContact CB-CZ 3.79Å; D161-F164 HydrophobicContact CB-CB 4.2Å; D161-F164 PolarHBondContact OD1-N 3.05Å; F164-V166 PolarHBondContact O-N 3.43Å; F164-L167 WeakPolarHBondContact O-CB 3.46Å; F164-L167 PolarHBondContact O-N 3.43Å; F164-V168 HydrophobicContact CD1-CG2 4.31Å; F164-V168 HydrophobicContact CE1-CG2 3.84Å; F164-V168 HydrophobicContact CE2-CG2 4.33Å; F164-V168 HydrophobicContact CZ-CG2 3.86Å; F164-V168 WeakPolarHBondContact O-CG2 3.32Å; F164-V168 PolarHBondContact O-N 3.13Å |
| 165 | G | 97.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.5 | -43 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A124 T128 D161 A162 L167 V168 S169 | A124-G165 WeakPolarHBondContact CA-O 3.44Å; T128-G165 VanDerWaalsContact OG1-CA 3.3Å; T128-G165 WeakPolarHBondContact OG1-CA 3.35Å; T128-G165 PolarHBondContact OG1-N 3.45Å; D161-G165 PolarHBondContact O-N 3.31Å; A162-G165 PolarHBondContact O-N 2.84Å; G165-L167 PolarHBondContact O-N 3.22Å; G165-V168 PolarHBondContact O-N 3.46Å; G165-S169 WeakPolarHBondContact O-CB 3.45Å; G165-S169 PolarHBondContact O-N 2.87Å |
| 166 | V | 98.3 | Very high | 94.8 | Very high | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.024 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.9 | -41.9 | 174.9 | 163.1 | 0 | 0 | 0 | 0 | 111.7 | A124 A162 E163 F164 S169 R170 R195 I198 L199 | A124-V166 HydrophobicContact CB-CG2 4.07Å; A162-V166 WeakPolarHBondContact O-CB 3.39Å; A162-V166 WeakPolarHBondContact O-CG2 3.46Å; A162-V166 PolarHBondContact O-N 3.03Å; E163-V166 PolarHBondContact O-N 3.43Å; F164-V166 PolarHBondContact O-N 3.43Å; V166-S169 PolarHBondContact O-N 2.76Å; V166-R170 WeakPolarHBondContact O-CB 3.5Å; V166-R170 PolarHBondContact O-N 3.47Å; V166-R195 HydrophobicContact CG1-CB 3.99Å; V166-R195 HydrophobicContact CG1-CG 4.47Å; V166-R195 HydrophobicContact CG2-CB 4.08Å; V166-R195 WeakPolarHBondContact CG2-O 3.34Å; V166-R195 WeakPolarHBondContact O-CD 3.19Å; V166-I198 HydrophobicContact CG2-CB 4.39Å; V166-L199 HydrophobicContact CG1-CD1 4.47Å; V166-L199 HydrophobicContact CG2-CD1 4.32Å; V166-L199 HydrophobicContact CG2-CD2 4.03Å; V166-L199 HydrophobicContact CG2-CG 3.97Å |
| 167 | L | 96.9 | Very high | 94.7 | Very high | 82 Ų | 82 | 33 Ų | 33 | 43% | 0.429 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -60.6 | -48.7 | 176.1 | 176.4 | 65.4 | 0 | 0 | 0 | 111.5 | E163 F164 G165 S169 R170 E171 | E163-L167 WeakPolarHBondContact O-CB 3.47Å; E163-L167 PolarHBondContact O-N 2.86Å; F164-L167 WeakPolarHBondContact O-CB 3.46Å; F164-L167 PolarHBondContact O-N 3.43Å; G165-L167 PolarHBondContact O-N 3.22Å; L167-S169 PolarHBondContact O-N 2.73Å; L167-R170 PolarHBondContact O-N 3.46Å; L167-E171 HydrophobicContact CD1-CG 4.4Å; L167-E171 PolarHBondContact O-N 3.4Å |
| 168 | V | 96.2 | Very high | 94.4 | Very high | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.018 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.6 | -46.7 | 177.2 | 164.1 | 0 | 0 | 0 | 0 | 111.1 | F58 I65 V69 V127 F164 G165 R170 E171 F172 | F58-V168 HydrophobicContact CE1-CG1 4.44Å; F58-V168 HydrophobicContact CZ-CB 4.43Å; F58-V168 HydrophobicContact CZ-CG1 3.9Å; F58-V168 HydrophobicContact CZ-CG2 4.45Å; I65-V168 HydrophobicContact CD1-CB 4.43Å; I65-V168 HydrophobicContact CD1-CG1 3.94Å; I65-V168 HydrophobicContact CD1-CG2 3.6Å; V69-V168 HydrophobicContact CG2-CG1 3.95Å; V127-V168 HydrophobicContact CB-CG1 4.44Å; V127-V168 HydrophobicContact CG1-CB 4.14Å; V127-V168 HydrophobicContact CG1-CG1 4.11Å; V127-V168 HydrophobicContact CG1-CG2 4.14Å; V127-V168 HydrophobicContact CG2-CG1 3.82Å; F164-V168 HydrophobicContact CD1-CG2 4.31Å; F164-V168 HydrophobicContact CE1-CG2 3.84Å; F164-V168 HydrophobicContact CE2-CG2 4.33Å; F164-V168 HydrophobicContact CZ-CG2 3.86Å; F164-V168 WeakPolarHBondContact O-CG2 3.32Å; F164-V168 PolarHBondContact O-N 3.13Å; G165-V168 PolarHBondContact O-N 3.46Å; V168-R170 VanDerWaalsContact C-N 3.34Å; V168-R170 PolarHBondContact O-N 2.98Å; V168-E171 PolarHBondContact O-N 2.87Å; V168-F172 WeakPolarHBondContact O-CB 3.37Å; V168-F172 PolarHBondContact O-N 3.23Å |
| 169 | S | 96.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.4 | -43.9 | 176.8 | 180 | 0 | 0 | 0 | 0 | 111.8 | S120 G165 V166 L167 F172 A173 | S120-S169 PolarHBondContact O-OG 3.24Å; G165-S169 WeakPolarHBondContact O-CB 3.45Å; G165-S169 PolarHBondContact O-N 2.87Å; V166-S169 PolarHBondContact O-N 2.76Å; L167-S169 PolarHBondContact O-N 2.73Å; S169-F172 PolarHBondContact O-N 2.92Å; S169-A173 WeakPolarHBondContact O-CB 3.32Å; S169-A173 PolarHBondContact O-N 2.8Å |
| 170 | R | 96.5 | Very high | 93.9 | Very high | 91 Ų | 91 | 45.1 Ų | 45.1 | 34% | 0.343 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.7 | -51.1 | 177.9 | -170.9 | 177.7 | -67 | 129.2 | -4.2 | 112.2 | V166 L167 V168 F172 D174 E192 | V166-R170 WeakPolarHBondContact O-CB 3.5Å; V166-R170 PolarHBondContact O-N 3.47Å; L167-R170 PolarHBondContact O-N 3.46Å; V168-R170 VanDerWaalsContact C-N 3.34Å; V168-R170 PolarHBondContact O-N 2.98Å; R170-F172 VanDerWaalsContact C-N 3.27Å; R170-F172 PolarHBondContact O-N 2.96Å; R170-D174 VanDerWaalsContact O-CB 3.27Å; R170-D174 WeakPolarHBondContact O-CB 3.37Å; R170-D174 PolarHBondContact O-N 3.45Å; R170-D174 VanDerWaalsContact O-N 3.08Å; R170-E192 IonicContact CZ-OE1 2.72Å; R170-E192 IonicContact CZ-OE2 3.41Å; R170-E192 IonicContact NE-OE2 3.73Å; R170-E192 PolarHBondContact NE-OE2 2.98Å; R170-E192 VanDerWaalsContact NE-OE2 3.12Å; R170-E192 VanDerWaalsContact NH2-CD 3.25Å; R170-E192 IonicContact NH2-OE1 3.06Å; R170-E192 PolarHBondContact NH2-OE1 3.19Å; R170-E192 IonicContact NH2-OE2 2.84Å; R170-E192 PolarHBondContact NH2-OE2 3.01Å |
| 171 | E | 94.6 | Very high | 93.7 | Very high | 90 Ų | 90 | 46.8 Ų | 46.8 | 42% | 0.421 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61 | -35.9 | 179.7 | -77.7 | -66.6 | 154.9 | 0 | 0 | 112.5 | F58 L167 V168 A175 | F58-E171 HydrophobicContact CD2-CB 3.72Å; F58-E171 HydrophobicContact CE2-CB 3.51Å; F58-E171 HydrophobicContact CE2-CG 4.38Å; L167-E171 HydrophobicContact CD1-CG 4.4Å; L167-E171 PolarHBondContact O-N 3.4Å; V168-E171 PolarHBondContact O-N 2.87Å; E171-A175 WeakPolarHBondContact O-CB 3.45Å |
| 172 | F | 92.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -83.7 | -48.8 | -177.8 | -173.1 | -103.5 | 0 | 0 | 0 | 114 | L51 Q55 F58 M66 V69 L98 F101 V168 S169 R170 | L51-F172 HydrophobicContact CD2-CE2 3.86Å; L51-F172 HydrophobicContact CD2-CZ 3.6Å; Q55-F172 HydrophobicContact CB-CD2 4.41Å; Q55-F172 HydrophobicContact CB-CE2 4.08Å; Q55-F172 HydrophobicContact CG-CD2 4.27Å; Q55-F172 HydrophobicContact CG-CE2 4.2Å; Q55-F172 PolarHBondContact NE2-O 2.92Å; F58-F172 HydrophobicContact CD1-CB 4.32Å; F58-F172 AromaticContact CD1-CD2 3.7Å; F58-F172 HydrophobicContact CD1-CD2 3.7Å; F58-F172 HydrophobicContact CD1-CG 4.46Å; F58-F172 HydrophobicContact CE1-CB 4.21Å; F58-F172 HydrophobicContact CE1-CD2 4.16Å; F58-F172 HydrophobicContact CG-CD2 4.41Å; M66-F172 HydrophobicContact CE-CE2 3.81Å; M66-F172 HydrophobicContact CE-CZ 4.11Å; M66-F172 HydrophobicContact SD-CE2 4.44Å; V69-F172 HydrophobicContact CG1-CD1 3.67Å; V69-F172 HydrophobicContact CG1-CE1 3.65Å; V69-F172 HydrophobicContact CG1-CG 4.14Å; V69-F172 HydrophobicContact CG1-CZ 4.13Å; L98-F172 HydrophobicContact CD2-CE1 4.3Å; L98-F172 HydrophobicContact CD2-CZ 4.29Å; F101-F172 AromaticContact CD2-CD1 3.82Å; F101-F172 HydrophobicContact CD2-CD1 3.82Å; F101-F172 AromaticContact CD2-CE1 3.47Å; F101-F172 HydrophobicContact CD2-CE1 3.47Å; F101-F172 VanDerWaalsContact CD2-CE1 3.47Å; F101-F172 AromaticContact CE2-CD1 3.69Å; F101-F172 HydrophobicContact CE2-CD1 3.69Å; F101-F172 AromaticContact CE2-CE1 3.57Å; F101-F172 HydrophobicContact CE2-CE1 3.57Å; V168-F172 WeakPolarHBondContact O-CB 3.37Å; V168-F172 PolarHBondContact O-N 3.23Å; S169-F172 PolarHBondContact O-N 2.92Å; R170-F172 VanDerWaalsContact C-N 3.27Å; R170-F172 PolarHBondContact O-N 2.96Å |
| 173 | A | 91 | Very high | 93.4 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -71.1 | -45.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | F101 S169 A175 | F101-A173 HydrophobicContact CD1-CB 3.64Å; F101-A173 HydrophobicContact CE1-CB 3.56Å; F101-A173 HydrophobicContact CG-CB 4.39Å; F101-A173 HydrophobicContact CZ-CB 4.23Å; S169-A173 WeakPolarHBondContact O-CB 3.32Å; S169-A173 PolarHBondContact O-N 2.8Å; A173-A175 PolarHBondContact O-N 3.49Å |
| 174 | D | 92.6 | Very high | 93.2 | Very high | 29 Ų | 29 | 40.4 Ų | 40.4 | 16% | 0.155 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -5.8 | -173.9 | -57.2 | -4.6 | 0 | 0 | 0 | 112.1 | R170 R176 E177 N191 R195 | R170-D174 VanDerWaalsContact O-CB 3.27Å; R170-D174 WeakPolarHBondContact O-CB 3.37Å; R170-D174 PolarHBondContact O-N 3.45Å; R170-D174 VanDerWaalsContact O-N 3.08Å; D174-R176 PolarHBondContact O-N 3.44Å; D174-R176 VanDerWaalsContact O-N 3.08Å; D174-E177 PolarHBondContact O-N 3.17Å; D174-N191 PolarHBondContact OD1-ND2 2.58Å; D174-R195 IonicContact OD1-CZ 2.68Å; D174-R195 IonicContact OD1-NH1 3.52Å; D174-R195 PolarHBondContact OD1-NH1 2.84Å; D174-R195 IonicContact OD1-NH2 3.78Å; D174-R195 IonicContact OD2-CZ 3.97Å; D174-R195 IonicContact OD2-NH1 3.74Å; D174-R195 PolarHBondContact OD2-NH1 2.99Å; D174-R195 IonicContact OD2-NH2 2.69Å; D174-R195 PolarHBondContact OD2-NH2 2.94Å |
| 175 | A | 91.4 | Very high | 93.1 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 2% | 0.017 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -21.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | K54 Q55 E171 A173 | K54-A175 HydrophobicContact CB-CB 4.09Å; K54-A175 HydrophobicContact CD-CB 3.88Å; K54-A175 HydrophobicContact CG-CB 3.88Å; Q55-A175 HydrophobicContact CG-CB 3.62Å; E171-A175 WeakPolarHBondContact O-CB 3.45Å; A173-A175 PolarHBondContact O-N 3.49Å |
| 176 | R | 86.1 | Confident | 93.1 | Very high | 54 Ų | 54 | 39.5 Ų | 39.5 | 20% | 0.204 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -94 | -22.9 | 177.1 | -68.4 | -174 | 59.3 | 150.6 | 15.6 | 113.5 | G50 V52 F101 D174 N178 | G50-R176 PolarHBondContact O-NH1 3.08Å; V52-R176 HydrophobicContact CB-CG 4.35Å; V52-R176 HydrophobicContact CG1-CG 3.81Å; V52-R176 HydrophobicContact CG2-CG 3.58Å; F101-R176 WeakPolarHBondContact O-CD 3.2Å; F101-R176 PolarHBondContact O-NE 2.81Å; D174-R176 PolarHBondContact O-N 3.44Å; D174-R176 VanDerWaalsContact O-N 3.08Å; R176-N178 VanDerWaalsContact C-N 3.25Å; R176-N178 PolarHBondContact O-N 3.27Å; R176-N178 VanDerWaalsContact O-N 3.11Å |
| 177 | E | 89.2 | Confident | 93 | Very high | 15 Ų | 15 | 39.5 Ų | 39.5 | 7% | 0.07 | 19% | 0.189 | C | C | . | . | trans | -91.6 | 51.2 | -173.6 | -49 | -56.5 | 164.2 | 0 | 0 | 110.9 | D174 S184 N187 R188 | D174-E177 PolarHBondContact O-N 3.17Å; E177-S184 WeakPolarHBondContact OE2-CA 3.28Å; E177-N187 HydrophobicContact CG-CB 3.83Å; E177-N187 PolarHBondContact OE1-ND2 3.3Å; E177-N187 WeakPolarHBondContact OE2-CB 3.34Å; E177-N187 PolarHBondContact OE2-ND2 3.37Å; E177-N187 VanDerWaalsContact OE2-ND2 3.12Å; E177-R188 HydrophobicContact CB-CG 3.54Å; E177-R188 HydrophobicContact CG-CG 4.28Å; E177-R188 WeakPolarHBondContact O-CD 3.28Å; E177-R188 PolarHBondContact O-NH1 2.89Å | ||
| 178 | N | 86.8 | Confident | 92.9 | Very high | 117 Ų | 117 | 39.9 Ų | 39.9 | 63% | 0.626 | 19% | 0.185 | S | C | * | . | trans | -100.5 | -4.6 | -176.2 | 70.6 | -4.1 | 0 | 0 | 0 | 113.9 | R176 | R176-N178 VanDerWaalsContact C-N 3.25Å; R176-N178 PolarHBondContact O-N 3.27Å; R176-N178 VanDerWaalsContact O-N 3.11Å | ||
| 179 | R | 88.6 | Confident | 93 | Very high | 163 Ų | 163 | 42.1 Ų | 42.1 | 62% | 0.615 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -79.4 | 147.3 | -178.9 | -62.8 | -176.2 | 178.3 | -177.8 | -0.7 | 110.1 | D181 S184 R188 | R179-D181 HydrophobicContact CB-CB 4.49Å; R179-D181 PolarHBondContact O-N 3Å; R179-S184 VanDerWaalsContact O-CB 3.28Å; R179-S184 WeakPolarHBondContact O-CB 3.38Å; R179-S184 PolarHBondContact O-OG 2.89Å; R179-R188 PolarHBondContact O-NH1 3.41Å |
| 180 | P | 91.3 | Very high | 93.1 | Very high | 75 Ų | 75 | 42.1 Ų | 42.1 | 49% | 0.487 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -81.4 | 41.7 | 173.6 | 36.2 | -36.3 | 0 | 0 | 0 | 111.5 | V256 E257 | P180-V256 HydrophobicContact CB-CB 4.34Å; P180-V256 HydrophobicContact CB-CG1 4.11Å; P180-V256 HydrophobicContact CB-CG2 4.01Å; P180-E257 PolarHBondContact O-N 3.47Å |
| 181 | D | 93.1 | Very high | 93.1 | Very high | 44 Ų | 44 | 37.8 Ų | 37.8 | 24% | 0.235 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -106.1 | 159.4 | 178.3 | 61.3 | 17.8 | 0 | 0 | 0 | 111.7 | R179 R183 S184 A185 | R179-D181 HydrophobicContact CB-CB 4.49Å; R179-D181 PolarHBondContact O-N 3Å; D181-R183 PolarHBondContact O-N 2.95Å; D181-S184 PolarHBondContact O-N 3.17Å; D181-S184 WeakPolarHBondContact OD1-CA 3.35Å; D181-S184 WeakPolarHBondContact OD1-CB 3.29Å; D181-S184 PolarHBondContact OD1-N 3.44Å; D181-S184 PolarHBondContact OD1-OG 3.14Å; D181-A185 PolarHBondContact O-N 3.3Å; D181-A185 VanDerWaalsContact O-N 3.12Å |
| 182 | A | 95.1 | Very high | 93.3 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.008 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.8 | -32.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | A185 M186 V246 E257 L259 Y277 | A182-A185 PolarHBondContact O-N 3.19Å; A182-M186 WeakPolarHBondContact O-CB 3.35Å; A182-M186 PolarHBondContact O-N 3.4Å; A182-V246 HydrophobicContact CB-CB 4.31Å; A182-V246 HydrophobicContact CB-CG1 3.74Å; A182-V246 HydrophobicContact CB-CG2 3.59Å; A182-E257 HydrophobicContact CB-CB 4.04Å; A182-E257 WeakPolarHBondContact CB-OE2 3.33Å; A182-E257 PolarHBondContact N-OE2 2.76Å; A182-L259 HydrophobicContact CB-CD2 4.04Å; A182-Y277 HydrophobicContact CB-CE1 3.94Å |
| 183 | R | 93 | Very high | 93.6 | Very high | 36 Ų | 36 | 35.3 Ų | 35.3 | 14% | 0.136 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.8 | -49.1 | 179.8 | -177 | 55 | -172.8 | -118.8 | 3.4 | 111.9 | L105 D106 K107 H116 D181 A185 M186 N187 | L105-R183 PolarHBondContact O-NH1 2.82Å; L105-R183 PolarHBondContact O-NH2 2.89Å; D106-R183 PolarHBondContact O-NH1 2.76Å; K107-R183 PolarHBondContact O-NH1 2.89Å; H116-R183 PolarHBondContact NE2-NH2 3.42Å; D181-R183 PolarHBondContact O-N 2.95Å; R183-A185 PolarHBondContact O-N 2.87Å; R183-M186 WeakPolarHBondContact O-CB 3.21Å; R183-M186 PolarHBondContact O-N 3.09Å; R183-N187 PolarHBondContact NE-ND2 2.85Å; R183-N187 PolarHBondContact NE-OD1 3.32Å; R183-N187 WeakPolarHBondContact O-CB 3.42Å; R183-N187 PolarHBondContact O-N 3.12Å |
| 184 | S | 93.1 | Very high | 93.9 | Very high | 4 Ų | 4 | 35.3 Ų | 35.3 | 3% | 0.028 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.2 | -35.7 | 177.2 | -56.3 | 0 | 0 | 0 | 0 | 111 | E177 R179 D181 R188 | E177-S184 WeakPolarHBondContact OE2-CA 3.28Å; R179-S184 VanDerWaalsContact O-CB 3.28Å; R179-S184 WeakPolarHBondContact O-CB 3.38Å; R179-S184 PolarHBondContact O-OG 2.89Å; D181-S184 PolarHBondContact O-N 3.17Å; D181-S184 WeakPolarHBondContact OD1-CA 3.35Å; D181-S184 WeakPolarHBondContact OD1-CB 3.29Å; D181-S184 PolarHBondContact OD1-N 3.44Å; D181-S184 PolarHBondContact OD1-OG 3.14Å; S184-R188 VanDerWaalsContact CB-NH1 3.3Å; S184-R188 WeakPolarHBondContact O-CB 3.37Å; S184-R188 VanDerWaalsContact O-CG 3.28Å; S184-R188 WeakPolarHBondContact O-CG 3.15Å; S184-R188 PolarHBondContact O-N 3.24Å |
| 185 | A | 95.6 | Very high | 94.2 | Very high | 19 Ų | 19 | 34 Ų | 34 | 16% | 0.157 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.8 | -46 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | D181 A182 R183 H189 L259 | D181-A185 PolarHBondContact O-N 3.3Å; D181-A185 VanDerWaalsContact O-N 3.12Å; A182-A185 PolarHBondContact O-N 3.19Å; R183-A185 PolarHBondContact O-N 2.87Å; A185-H189 PolarHBondContact O-N 2.81Å; A185-L259 HydrophobicContact CB-CD1 4.25Å; A185-L259 HydrophobicContact CB-CG 4.26Å |
| 186 | M | 96.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.7 | -49.1 | 176.1 | -169.2 | -162.9 | 81.2 | 0 | 0 | 111.6 | A108 A182 R183 H189 N190 L259 V275 Y277 | A108-M186 HydrophobicContact CB-CE 4.24Å; A108-M186 HydrophobicContact CB-SD 3.6Å; A182-M186 WeakPolarHBondContact O-CB 3.35Å; A182-M186 PolarHBondContact O-N 3.4Å; R183-M186 WeakPolarHBondContact O-CB 3.21Å; R183-M186 PolarHBondContact O-N 3.09Å; M186-H189 PolarHBondContact O-N 3.33Å; M186-N190 WeakPolarHBondContact CG-ND2 3.47Å; M186-N190 PolarHBondContact O-N 3.3Å; M186-N190 PolarHBondContact O-ND2 3.01Å; M186-L259 HydrophobicContact CB-CD1 3.83Å; M186-L259 HydrophobicContact CG-CD1 4.42Å; M186-V275 HydrophobicContact CG-CG2 4.09Å; M186-V275 VanDerWaalsContact CG-O 3.29Å; M186-V275 WeakPolarHBondContact CG-O 3.41Å; M186-Y277 HydrophobicContact CB-CD1 4.42Å; M186-Y277 HydrophobicContact CB-CE1 4.21Å; M186-Y277 HydrophobicContact SD-CD1 4.17Å; M186-Y277 HydrophobicContact SD-CE1 4.19Å |
| 187 | N | 95.2 | Very high | 95.1 | Very high | 5 Ų | 5 | 31.9 Ų | 31.9 | 3% | 0.027 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.2 | -46.2 | -177.6 | -73.2 | -1.8 | 0 | 0 | 0 | 111.3 | H116 E177 R183 H189 N190 N191 | H116-N187 PolarHBondContact CD2-OD1 3.16Å; H116-N187 VanDerWaalsContact CE1-CG 3.45Å; H116-N187 PolarHBondContact CE1-ND2 2.99Å; H116-N187 VanDerWaalsContact CE1-ND2 3.33Å; H116-N187 PolarHBondContact NE2-ND2 2.03Å; H116-N187 PolarHBondContact NE2-OD1 3.5Å; E177-N187 HydrophobicContact CG-CB 3.83Å; E177-N187 PolarHBondContact OE1-ND2 3.3Å; E177-N187 WeakPolarHBondContact OE2-CB 3.34Å; E177-N187 PolarHBondContact OE2-ND2 3.37Å; E177-N187 VanDerWaalsContact OE2-ND2 3.12Å; R183-N187 PolarHBondContact NE-ND2 2.85Å; R183-N187 PolarHBondContact NE-OD1 3.32Å; R183-N187 WeakPolarHBondContact O-CB 3.42Å; R183-N187 PolarHBondContact O-N 3.12Å; N187-H189 VanDerWaalsContact C-N 3.33Å; N187-H189 PolarHBondContact O-N 3.12Å; N187-N190 PolarHBondContact O-N 3Å; N187-N191 VanDerWaalsContact O-CB 3.26Å; N187-N191 WeakPolarHBondContact O-CB 3.25Å; N187-N191 PolarHBondContact O-N 2.93Å; N187-N191 PolarHBondContact O-ND2 2.88Å; N187-N191 PolarHBondContact O-OD1 2.82Å |
| 188 | R | 95.8 | Very high | 95.5 | Very high | 90 Ų | 90 | 31.2 Ų | 31.2 | 34% | 0.34 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -58.5 | -43.6 | 176.2 | -72.9 | -174.1 | -55.3 | -98.7 | -0.5 | 112.2 | E177 R179 S184 E192 | E177-R188 HydrophobicContact CB-CG 3.54Å; E177-R188 HydrophobicContact CG-CG 4.28Å; E177-R188 WeakPolarHBondContact O-CD 3.28Å; E177-R188 PolarHBondContact O-NH1 2.89Å; R179-R188 PolarHBondContact O-NH1 3.41Å; S184-R188 VanDerWaalsContact CB-NH1 3.3Å; S184-R188 WeakPolarHBondContact O-CB 3.37Å; S184-R188 VanDerWaalsContact O-CG 3.28Å; S184-R188 WeakPolarHBondContact O-CG 3.15Å; S184-R188 PolarHBondContact O-N 3.24Å; R188-E192 WeakPolarHBondContact O-CB 3.3Å; R188-E192 PolarHBondContact O-N 3.05Å |
| 189 | H | 97.9 | Very high | 96 | Very high | 50 Ų | 50 | 28.8 Ų | 28.8 | 23% | 0.231 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62 | -50.4 | 178.3 | -176.5 | 94.9 | 0 | 0 | 0 | 111.6 | A185 M186 N187 E192 A193 T270 D273 V275 | A185-H189 PolarHBondContact O-N 2.81Å; M186-H189 PolarHBondContact O-N 3.33Å; N187-H189 VanDerWaalsContact C-N 3.33Å; N187-H189 PolarHBondContact O-N 3.12Å; H189-E192 WeakPolarHBondContact O-CB 3.29Å; H189-E192 PolarHBondContact O-N 2.86Å; H189-A193 PolarHBondContact O-N 3.12Å; H189-T270 PolarHBondContact CE1-O 2.87Å; H189-T270 PolarHBondContact NE2-O 3.2Å; H189-D273 PolarHBondContact CD2-O 3.3Å; H189-D273 PolarHBondContact NE2-O 2.94Å; H189-V275 HydrophobicContact CB-CG2 4Å; H189-V275 VanDerWaalsContact CD2-CG2 3.42Å; H189-V275 WeakPolarHBondContact CD2-CG2 3.38Å; H189-V275 WeakPolarHBondContact NE2-CG1 3.31Å |
| 190 | N | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -69 | -36.9 | -178.4 | -67.3 | -37 | 0 | 0 | 0 | 112.7 | A113 H116 A117 M186 N187 E192 A193 G194 L274 V275 | A113-N190 VanDerWaalsContact CA-ND2 3.34Å; A113-N190 WeakPolarHBondContact CA-ND2 3.39Å; A113-N190 WeakPolarHBondContact CB-ND2 3.47Å; H116-N190 HydrophobicContact CB-CB 4.22Å; A117-N190 VanDerWaalsContact CA-O 3.28Å; A117-N190 WeakPolarHBondContact CA-O 3.3Å; A117-N190 VanDerWaalsContact CB-O 3.28Å; A117-N190 WeakPolarHBondContact CB-O 3.47Å; M186-N190 WeakPolarHBondContact CG-ND2 3.47Å; M186-N190 PolarHBondContact O-N 3.3Å; M186-N190 PolarHBondContact O-ND2 3.01Å; N187-N190 PolarHBondContact O-N 3Å; N190-E192 VanDerWaalsContact C-N 3.27Å; N190-E192 PolarHBondContact O-N 2.89Å; N190-A193 PolarHBondContact O-N 2.86Å; N190-G194 PolarHBondContact O-N 3.45Å; N190-L274 HydrophobicContact CB-CD2 4.21Å; N190-L274 WeakPolarHBondContact OD1-CA 3.49Å; N190-V275 PolarHBondContact ND2-O 3.47Å; N190-V275 PolarHBondContact OD1-N 2.97Å; N190-V275 PolarHBondContact OD1-O 3.16Å |
| 191 | N | 97.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.3 | -42.6 | 172.6 | -68.5 | -13.3 | 0 | 0 | 0 | 110.5 | H116 S120 D174 N187 G194 R195 | H116-N191 VanDerWaalsContact CB-OD1 3.31Å; H116-N191 WeakPolarHBondContact CB-OD1 3Å; H116-N191 PolarHBondContact ND1-OD1 3.45Å; H116-N191 PolarHBondContact O-OD1 2.9Å; S120-N191 WeakPolarHBondContact CB-O 3.39Å; S120-N191 WeakPolarHBondContact OG-CA 3.47Å; S120-N191 VanDerWaalsContact OG-CB 3.28Å; S120-N191 WeakPolarHBondContact OG-CB 3.5Å; S120-N191 PolarHBondContact OG-OD1 3.46Å; S120-N191 VanDerWaalsContact OG-OD1 3.06Å; D174-N191 PolarHBondContact OD1-ND2 2.58Å; N187-N191 VanDerWaalsContact O-CB 3.26Å; N187-N191 WeakPolarHBondContact O-CB 3.25Å; N187-N191 PolarHBondContact O-N 2.93Å; N187-N191 PolarHBondContact O-ND2 2.88Å; N187-N191 PolarHBondContact O-OD1 2.82Å; N191-G194 PolarHBondContact O-N 3.35Å; N191-R195 WeakPolarHBondContact O-CG 3.47Å; N191-R195 PolarHBondContact O-N 3.11Å |
| 192 | E | 98.3 | Very high | 96.9 | Very high | 37 Ų | 37 | 22.5 Ų | 22.5 | 17% | 0.173 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66 | -44.1 | 176.9 | -170.1 | 61 | -160.2 | 0 | 0 | 112.1 | R170 R188 H189 N190 G194 R195 T196 | R170-E192 IonicContact CZ-OE1 2.72Å; R170-E192 IonicContact CZ-OE2 3.41Å; R170-E192 IonicContact NE-OE2 3.73Å; R170-E192 PolarHBondContact NE-OE2 2.98Å; R170-E192 VanDerWaalsContact NE-OE2 3.12Å; R170-E192 VanDerWaalsContact NH2-CD 3.25Å; R170-E192 IonicContact NH2-OE1 3.06Å; R170-E192 PolarHBondContact NH2-OE1 3.19Å; R170-E192 IonicContact NH2-OE2 2.84Å; R170-E192 PolarHBondContact NH2-OE2 3.01Å; R188-E192 WeakPolarHBondContact O-CB 3.3Å; R188-E192 PolarHBondContact O-N 3.05Å; H189-E192 WeakPolarHBondContact O-CB 3.29Å; H189-E192 PolarHBondContact O-N 2.86Å; N190-E192 VanDerWaalsContact C-N 3.27Å; N190-E192 PolarHBondContact O-N 2.89Å; E192-G194 PolarHBondContact O-N 3.19Å; E192-R195 PolarHBondContact O-N 3.06Å; E192-R195 IonicContact OE2-CZ 2.85Å; E192-R195 VanDerWaalsContact OE2-CZ 3.28Å; E192-R195 IonicContact OE2-NE 3.75Å; E192-R195 PolarHBondContact OE2-NE 2.92Å; E192-R195 IonicContact OE2-NH2 3.66Å; E192-R195 PolarHBondContact OE2-NH2 3.42Å; E192-T196 WeakPolarHBondContact O-CB 3.5Å; E192-T196 PolarHBondContact O-N 3.2Å; E192-T196 PolarHBondContact O-OG1 2.93Å; E192-T196 PolarHBondContact OE1-OG1 3.42Å |
| 193 | A | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -55.8 | -41.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | H189 N190 T197 E271 L274 | H189-A193 PolarHBondContact O-N 3.12Å; N190-A193 PolarHBondContact O-N 2.86Å; A193-T197 PolarHBondContact O-N 2.72Å; A193-T197 PolarHBondContact O-OG1 3.27Å; A193-E271 WeakPolarHBondContact CA-O 3.48Å; A193-E271 WeakPolarHBondContact CB-O 3.48Å; A193-E271 PolarHBondContact N-O 2.83Å; A193-L274 HydrophobicContact CB-CD2 3.92Å |
| 194 | G | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.5 | -47.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A117 A121 N190 N191 E192 T197 | A117-G194 WeakPolarHBondContact O-CA 3.48Å; A121-G194 WeakPolarHBondContact CB-O 3.47Å; N190-G194 PolarHBondContact O-N 3.45Å; N191-G194 PolarHBondContact O-N 3.35Å; E192-G194 PolarHBondContact O-N 3.19Å; G194-T197 WeakPolarHBondContact O-CB 3.4Å; G194-T197 PolarHBondContact O-N 3.09Å |
| 195 | R | 98.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 0% | 0.004 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.6 | -45.5 | 180 | -73.1 | -179 | -61.8 | -112.3 | 7.1 | 112.7 | V166 D174 N191 E192 T197 I198 | V166-R195 HydrophobicContact CG1-CB 3.99Å; V166-R195 HydrophobicContact CG1-CG 4.47Å; V166-R195 HydrophobicContact CG2-CB 4.08Å; V166-R195 WeakPolarHBondContact CG2-O 3.34Å; V166-R195 WeakPolarHBondContact O-CD 3.19Å; D174-R195 IonicContact OD1-CZ 2.68Å; D174-R195 IonicContact OD1-NH1 3.52Å; D174-R195 PolarHBondContact OD1-NH1 2.84Å; D174-R195 IonicContact OD1-NH2 3.78Å; D174-R195 IonicContact OD2-CZ 3.97Å; D174-R195 IonicContact OD2-NH1 3.74Å; D174-R195 PolarHBondContact OD2-NH1 2.99Å; D174-R195 IonicContact OD2-NH2 2.69Å; D174-R195 PolarHBondContact OD2-NH2 2.94Å; N191-R195 WeakPolarHBondContact O-CG 3.47Å; N191-R195 PolarHBondContact O-N 3.11Å; E192-R195 PolarHBondContact O-N 3.06Å; E192-R195 IonicContact OE2-CZ 2.85Å; E192-R195 VanDerWaalsContact OE2-CZ 3.28Å; E192-R195 IonicContact OE2-NE 3.75Å; E192-R195 PolarHBondContact OE2-NE 2.92Å; E192-R195 IonicContact OE2-NH2 3.66Å; E192-R195 PolarHBondContact OE2-NH2 3.42Å; R195-T197 PolarHBondContact O-N 3.05Å; R195-I198 VanDerWaalsContact O-CB 3.29Å; R195-I198 WeakPolarHBondContact O-CB 3.25Å; R195-I198 PolarHBondContact O-N 3.39Å |
| 196 | T | 98.3 | Very high | 97.2 | Very high | 13 Ų | 13 | 36 Ų | 36 | 8% | 0.08 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.9 | -33.6 | 179.3 | -59.3 | 0 | 0 | 0 | 0 | 111.4 | E192 I198 L199 D200 R272 | E192-T196 WeakPolarHBondContact O-CB 3.5Å; E192-T196 PolarHBondContact O-N 3.2Å; E192-T196 PolarHBondContact O-OG1 2.93Å; E192-T196 PolarHBondContact OE1-OG1 3.42Å; T196-I198 PolarHBondContact O-N 3.05Å; T196-L199 PolarHBondContact O-N 3.06Å; T196-L199 VanDerWaalsContact O-N 3.11Å; T196-D200 PolarHBondContact O-N 3.42Å; T196-R272 HydrophobicContact CG2-CG 3.99Å |
| 197 | T | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.7 | -34.4 | 174.4 | -60 | 0 | 0 | 0 | 0 | 112.3 | A193 G194 R195 H201 L230 Y233 L234 | A193-T197 PolarHBondContact O-N 2.72Å; A193-T197 PolarHBondContact O-OG1 3.27Å; G194-T197 WeakPolarHBondContact O-CB 3.4Å; G194-T197 PolarHBondContact O-N 3.09Å; R195-T197 PolarHBondContact O-N 3.05Å; T197-H201 WeakPolarHBondContact O-CB 3.5Å; T197-H201 PolarHBondContact O-N 3.02Å; T197-H201 PolarHBondContact O-ND1 3.32Å; T197-L230 HydrophobicContact CG2-CD2 3.91Å; T197-Y233 HydrophobicContact CG2-CD1 3.4Å; T197-Y233 HydrophobicContact CG2-CE1 3.81Å; T197-Y233 HydrophobicContact CG2-CG 4.25Å; T197-Y233 WeakPolarHBondContact OG1-CE1 3.28Å; T197-L234 HydrophobicContact CG2-CG 4.43Å |
| 198 | I | 97.8 | Very high | 97.2 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.9 | -48.7 | 175.8 | -55.1 | -55.7 | 0 | 0 | 0 | 110.7 | A121 A124 F125 A162 V166 R195 T196 H201 M202 L230 | A121-I198 HydrophobicContact CB-CD1 4.05Å; A121-I198 HydrophobicContact CB-CG1 4.45Å; A124-I198 HydrophobicContact CB-CG1 3.97Å; F125-I198 HydrophobicContact CB-CD1 4.19Å; A162-I198 HydrophobicContact CB-CG2 4.2Å; V166-I198 HydrophobicContact CG2-CB 4.39Å; R195-I198 VanDerWaalsContact O-CB 3.29Å; R195-I198 WeakPolarHBondContact O-CB 3.25Å; R195-I198 PolarHBondContact O-N 3.39Å; T196-I198 PolarHBondContact O-N 3.05Å; I198-H201 PolarHBondContact O-N 3.39Å; I198-M202 WeakPolarHBondContact O-CG 3.06Å; I198-M202 PolarHBondContact O-N 2.69Å; I198-L230 HydrophobicContact CD1-CD1 3.39Å; I198-L230 HydrophobicContact CD1-CD2 4.47Å; I198-L230 HydrophobicContact CD1-CG 4.47Å |
| 199 | L | 97.7 | Very high | 97.2 | Very high | 65 Ų | 65 | 43.9 Ų | 43.9 | 34% | 0.34 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.5 | -44.6 | -179.3 | -58.1 | 175.5 | 0 | 0 | 0 | 111.4 | A162 E163 V166 T196 H201 M202 | A162-L199 HydrophobicContact CB-CD2 3.76Å; E163-L199 HydrophobicContact CG-CD2 4.2Å; V166-L199 HydrophobicContact CG1-CD1 4.47Å; V166-L199 HydrophobicContact CG2-CD1 4.32Å; V166-L199 HydrophobicContact CG2-CD2 4.03Å; V166-L199 HydrophobicContact CG2-CG 3.97Å; T196-L199 PolarHBondContact O-N 3.06Å; T196-L199 VanDerWaalsContact O-N 3.11Å; L199-H201 PolarHBondContact O-N 3.37Å; L199-M202 PolarHBondContact O-N 2.95Å |
| 200 | D | 97.5 | Very high | 96.9 | Very high | 69 Ų | 69 | 42.2 Ų | 42.2 | 37% | 0.369 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.8 | -23.7 | -177.9 | -72.4 | -23.8 | 0 | 0 | 0 | 113 | T196 R272 | T196-D200 PolarHBondContact O-N 3.42Å; D200-R272 IonicContact OD1-CZ 2.96Å; D200-R272 IonicContact OD1-NE 3.46Å; D200-R272 IonicContact OD1-NH2 3.71Å; D200-R272 PolarHBondContact OD1-NH2 3.3Å; D200-R272 WeakPolarHBondContact OD2-CD 3.28Å; D200-R272 IonicContact OD2-CZ 3.57Å; D200-R272 IonicContact OD2-NE 3.32Å; D200-R272 PolarHBondContact OD2-NE 3.39Å; D200-R272 IonicContact OD2-NH2 3.88Å |
| 201 | H | 97.8 | Very high | 96.8 | Very high | 48 Ų | 48 | 49.4 Ų | 49.4 | 22% | 0.222 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 7.2 | -176.7 | -68.9 | 79.9 | 0 | 0 | 0 | 114.2 | T197 I198 L199 H203 P225 L230 Y233 | T197-H201 WeakPolarHBondContact O-CB 3.5Å; T197-H201 PolarHBondContact O-N 3.02Å; T197-H201 PolarHBondContact O-ND1 3.32Å; I198-H201 PolarHBondContact O-N 3.39Å; L199-H201 PolarHBondContact O-N 3.37Å; H201-H203 PolarHBondContact O-N 3.42Å; H201-H203 PolarHBondContact O-ND1 3.45Å; H201-P225 HydrophobicContact CB-CG 4.03Å; H201-P225 WeakPolarHBondContact O-CD 3.48Å; H201-L230 HydrophobicContact CB-CD2 3.69Å; H201-Y233 AromaticContact CE1-CD1 3.88Å; H201-Y233 AromaticContact CE1-CD2 3.72Å; H201-Y233 AromaticContact CE1-CE2 3.94Å; H201-Y233 AromaticContact CE1-CG 3.68Å; H201-Y233 AromaticContact NE2-CD2 3.73Å; H201-Y233 AromaticContact NE2-CG 3.88Å |
| 202 | M | 97.1 | Very high | 96.6 | Very high | 33 Ų | 33 | 55.7 Ų | 55.7 | 16% | 0.163 | 29% | 0.291 | C | S | . | . | trans | -59.8 | 130.7 | 168.1 | -65.6 | -60.5 | -72.6 | 0 | 0 | 109.4 | E160 A162 I198 L199 W222 Q224 | E160-M202 HydrophobicContact CB-CE 4.12Å; A162-M202 HydrophobicContact CB-CE 3.96Å; A162-M202 HydrophobicContact CB-CG 3.96Å; A162-M202 HydrophobicContact CB-SD 3.67Å; I198-M202 WeakPolarHBondContact O-CG 3.06Å; I198-M202 PolarHBondContact O-N 2.69Å; L199-M202 PolarHBondContact O-N 2.95Å; M202-W222 HydrophobicContact CB-CE3 4.14Å; M202-W222 HydrophobicContact CE-CB 4.03Å; M202-W222 WeakPolarHBondContact O-CZ3 3.02Å; M202-Q224 HydrophobicContact CE-CG 4.29Å; M202-Q224 HydrophobicContact SD-CB 4.31Å; M202-Q224 HydrophobicContact SD-CG 3.49Å; M202-Q224 WeakPolarHBondContact SD-CG 3.4Å | ||
| 203 | H | 96.1 | Very high | 96.2 | Very high | 77 Ų | 77 | 56.5 Ų | 56.5 | 36% | 0.356 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 158.2 | -178.8 | 65.8 | -76.3 | 0 | 0 | 0 | 111.2 | H201 R205 W222 A223 | H201-H203 PolarHBondContact O-N 3.42Å; H201-H203 PolarHBondContact O-ND1 3.45Å; H203-R205 PolarHBondContact O-N 2.83Å; H203-W222 VanDerWaalsContact C-CE3 3.47Å; H203-A223 PolarHBondContact N-O 3.26Å; H203-A223 VanDerWaalsContact N-O 3.08Å; H203-A223 PolarHBondContact ND1-O 2.86Å; H203-A223 PolarHBondContact O-N 3.26Å |
| 204 | L | 95.1 | Very high | 96.1 | Very high | 70 Ų | 70 | 58.1 Ų | 58.1 | 37% | 0.366 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 120.7 | 174 | -77.3 | 174.5 | 0 | 0 | 0 | 109.9 | W153 W155 C220 W222 | W153-L204 HydrophobicContact CH2-CD1 4Å; W153-L204 HydrophobicContact CH2-CD2 4.11Å; W153-L204 HydrophobicContact CZ2-CD1 3.79Å; W155-L204 HydrophobicContact CH2-CD2 3.67Å; W155-L204 HydrophobicContact CZ3-CD2 3.58Å; L204-C220 HydrophobicContact CD2-CB 4.27Å; L204-W222 HydrophobicContact CD2-CD2 4.24Å; L204-W222 HydrophobicContact CD2-CE3 4.46Å; L204-W222 HydrophobicContact CG-CE3 4.44Å; L204-W222 HydrophobicContact CG-CH2 4.3Å; L204-W222 HydrophobicContact CG-CZ3 4.27Å |
| 205 | R | 95.9 | Very high | 95.9 | Very high | 140 Ų | 140 | 61.7 Ų | 61.7 | 53% | 0.528 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 130.7 | 167.6 | -171.5 | 174.4 | -175.1 | 175.2 | 3.1 | 108.8 | H203 C220 W221 A223 | H203-R205 PolarHBondContact O-N 2.83Å; R205-C220 CarbonylContact O-C 3.4Å; R205-C220 WeakPolarHBondContact O-CA 3.28Å; R205-W221 HydrophobicContact CG-CZ2 4.17Å; R205-W221 PolarHBondContact N-O 2.7Å; R205-W221 PolarHBondContact O-N 3.06Å; R205-A223 HydrophobicContact CB-CB 3.81Å |
| 206 | C | 95.2 | Very high | 95.7 | Very high | 56 Ų | 56 | 69.5 Ų | 69.5 | 38% | 0.378 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 147.6 | -177.8 | -56.2 | 0 | 0 | 0 | 0 | 111.5 | K218 T219 C220 | C206-K218 HydrophobicContact CB-CD 4.43Å; C206-T219 CarbonylContact C-O 3.56Å; C206-T219 VanDerWaalsContact CA-O 3.26Å; C206-T219 WeakPolarHBondContact CA-O 3.26Å; C206-C220 HydrophobicContact CB-CB 4.02Å; C206-C220 WeakPolarHBondContact CB-SG 3.24Å; C206-C220 WeakPolarHBondContact SG-CB 3.4Å; C206-C220 CovalentContact SG-SG 2.04Å; C206-C220 PolarHBondContact SG-SG 3.16Å |
| 207 | K | 96.2 | Very high | 95.4 | Very high | 122 Ų | 122 | 73.1 Ų | 73.1 | 53% | 0.53 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 133.5 | 169.2 | -172.3 | 173.1 | 174.7 | -176.9 | 0 | 110.2 | H209 K218 T219 W221 | K207-H209 WeakPolarHBondContact CD-CE1 3.29Å; K207-H209 VanDerWaalsContact CG-CE1 3.41Å; K207-H209 WeakPolarHBondContact CG-CE1 3.46Å; K207-H209 PolarHBondContact O-CD2 3.32Å; K207-K218 VanDerWaalsContact O-CA 3.22Å; K207-K218 WeakPolarHBondContact O-CA 3.36Å; K207-K218 WeakPolarHBondContact O-CB 3.16Å; K207-T219 PolarHBondContact N-O 3.06Å; K207-T219 PolarHBondContact O-N 2.99Å; K207-W221 HydrophobicContact CB-CH2 3.74Å; K207-W221 HydrophobicContact CB-CZ3 3.88Å |
| 208 | C | 96.3 | Very high | 95.3 | Very high | 39 Ų | 39 | 76.3 Ų | 76.3 | 26% | 0.264 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 136.4 | 179.7 | -59 | 0 | 0 | 0 | 0 | 110.3 | C215 | C208-C215 HydrophobicContact CB-CB 3.88Å; C208-C215 WeakPolarHBondContact CB-SG 3.38Å; C208-C215 VanDerWaalsContact SG-CA 3.54Å; C208-C215 WeakPolarHBondContact SG-CB 3.49Å; C208-C215 CovalentContact SG-SG 2.03Å; C208-C215 PolarHBondContact SG-SG 3.21Å |
| 209 | H | 94.3 | Very high | 95.2 | Very high | 100 Ų | 100 | 77.9 Ų | 77.9 | 46% | 0.463 | 43% | 0.427 | S | S | . | . | trans | -133.2 | 10.1 | -172.7 | -59.1 | -64.1 | 0 | 0 | 0 | 113.1 | K207 V217 | K207-H209 WeakPolarHBondContact CD-CE1 3.29Å; K207-H209 VanDerWaalsContact CG-CE1 3.41Å; K207-H209 WeakPolarHBondContact CG-CE1 3.46Å; K207-H209 PolarHBondContact O-CD2 3.32Å; H209-V217 PolarHBondContact N-O 3.29Å | ||
| 210 | G | 93.3 | Very high | 95.1 | Very high | 15 Ų | 15 | 74.8 Ų | 74.8 | 16% | 0.155 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -71.1 | 173.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | S212 G213 S214 | G210-S212 PolarHBondContact O-N 3.44Å; G210-G213 PolarHBondContact O-N 3.21Å; G210-S214 WeakPolarHBondContact CA-O 3.48Å; G210-S214 WeakPolarHBondContact CA-OG 3.45Å; G210-S214 PolarHBondContact N-O 2.83Å; G210-S214 PolarHBondContact O-N 3.03Å |
| 211 | L | 94.9 | Very high | 95 | Very high | 152 Ų | 152 | 73.7 Ų | 73.7 | 80% | 0.796 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -53 | 130.7 | -178.8 | -170 | 74.2 | 0 | 0 | 0 | 110.3 | G213 S214 | L211-G213 PolarHBondContact O-N 3.35Å; L211-G213 VanDerWaalsContact O-N 3.12Å; L211-S214 PolarHBondContact N-OG 3.35Å; L211-S214 WeakPolarHBondContact O-CB 3.08Å; L211-S214 PolarHBondContact O-N 3.04Å; L211-S214 VanDerWaalsContact O-N 3.08Å; L211-S214 PolarHBondContact O-OG 2.92Å |
| 212 | S | 92.8 | Very high | 95 | Very high | 132 Ų | 132 | 75.8 Ų | 75.8 | 92% | 0.923 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | 55.4 | 25.8 | -177.3 | -54.8 | 0 | 0 | 0 | 0 | 114.7 | G210 | G210-S212 PolarHBondContact O-N 3.44Š|
| 213 | G | 91.3 | Very high | 95 | Very high | 54 Ų | 54 | 74.2 Ų | 74.2 | 56% | 0.557 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | 86.1 | 14.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | G210 L211 | G210-G213 PolarHBondContact O-N 3.21Å; L211-G213 PolarHBondContact O-N 3.35Å; L211-G213 VanDerWaalsContact O-N 3.12Å |
| 214 | S | 94.8 | Very high | 95.1 | Very high | 34 Ų | 34 | 70.8 Ų | 70.8 | 24% | 0.238 | 38% | 0.384 | C | S | . | . | trans | -62.3 | 150.9 | 176.1 | 78.3 | 0 | 0 | 0 | 0 | 112.2 | G210 L211 | G210-S214 WeakPolarHBondContact CA-O 3.48Å; G210-S214 WeakPolarHBondContact CA-OG 3.45Å; G210-S214 PolarHBondContact N-O 2.83Å; G210-S214 PolarHBondContact O-N 3.03Å; L211-S214 PolarHBondContact N-OG 3.35Å; L211-S214 WeakPolarHBondContact O-CB 3.08Å; L211-S214 PolarHBondContact O-N 3.04Å; L211-S214 VanDerWaalsContact O-N 3.08Å; L211-S214 PolarHBondContact O-OG 2.92Å | ||
| 215 | C | 95.4 | Very high | 95.2 | Very high | 75 Ų | 75 | 68.2 Ų | 68.2 | 51% | 0.507 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -95.2 | 15.1 | -179 | -67.2 | 0 | 0 | 0 | 0 | 114 | C208 V217 | C208-C215 HydrophobicContact CB-CB 3.88Å; C208-C215 WeakPolarHBondContact CB-SG 3.38Å; C208-C215 VanDerWaalsContact SG-CA 3.54Å; C208-C215 WeakPolarHBondContact SG-CB 3.49Å; C208-C215 CovalentContact SG-SG 2.03Å; C208-C215 PolarHBondContact SG-SG 3.21Å; C215-V217 PolarHBondContact O-N 3.4Å |
| 216 | E | 93.2 | Very high | 95.3 | Very high | 164 Ų | 164 | 67.6 Ų | 67.6 | 77% | 0.766 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -61 | -33.6 | 174 | -64.2 | 176.4 | 167.5 | 0 | 0 | 111.6 | ||
| 217 | V | 93.8 | Very high | 95.5 | Very high | 90 Ų | 90 | 65.6 Ų | 65.6 | 55% | 0.545 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -118.2 | 115.4 | 168.9 | -176 | 0 | 0 | 0 | 0 | 107.8 | H209 C215 | H209-V217 PolarHBondContact N-O 3.29Å; C215-V217 PolarHBondContact O-N 3.4Å |
| 218 | K | 95.3 | Very high | 95.6 | Very high | 66 Ų | 66 | 64.6 Ų | 64.6 | 29% | 0.287 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 149.4 | 175.4 | 71.9 | -170.4 | 177.7 | -176.1 | 0 | 111.8 | G152 W153 K154 C206 K207 | G152-K218 WeakPolarHBondContact O-CE 3.49Å; W153-K218 WeakPolarHBondContact CA-O 3.31Å; W153-K218 HydrophobicContact CB-CD 4.23Å; W153-K218 HydrophobicContact CB-CG 3.51Å; W153-K218 WeakPolarHBondContact CB-O 3.48Å; K154-K218 PolarHBondContact N-O 3.36Å; C206-K218 HydrophobicContact CB-CD 4.43Å; K207-K218 VanDerWaalsContact O-CA 3.22Å; K207-K218 WeakPolarHBondContact O-CA 3.36Å; K207-K218 WeakPolarHBondContact O-CB 3.16Å |
| 219 | T | 95 | Very high | 95.7 | Very high | 35 Ų | 35 | 65.9 Ų | 65.9 | 22% | 0.215 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 134.1 | 178.1 | -61.2 | 0 | 0 | 0 | 0 | 108.7 | K154 C206 K207 | K154-T219 VanDerWaalsContact O-CA 3.28Å; K154-T219 WeakPolarHBondContact O-CA 3.31Å; C206-T219 CarbonylContact C-O 3.56Å; C206-T219 VanDerWaalsContact CA-O 3.26Å; C206-T219 WeakPolarHBondContact CA-O 3.26Å; K207-T219 PolarHBondContact N-O 3.06Å; K207-T219 PolarHBondContact O-N 2.99Å |
| 220 | C | 96.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 153.1 | -177.4 | -46.5 | 0 | 0 | 0 | 0 | 112.4 | W153 K154 G156 L204 R205 C206 | W153-C220 HydrophobicContact CD2-CB 4.13Å; W153-C220 HydrophobicContact CE3-CB 3.51Å; W153-C220 HydrophobicContact CZ3-CB 3.74Å; K154-C220 PolarHBondContact O-N 3.45Å; G156-C220 PolarHBondContact N-O 2.86Å; L204-C220 HydrophobicContact CD2-CB 4.27Å; R205-C220 CarbonylContact O-C 3.4Å; R205-C220 WeakPolarHBondContact O-CA 3.28Å; C206-C220 HydrophobicContact CB-CB 4.02Å; C206-C220 WeakPolarHBondContact CB-SG 3.24Å; C206-C220 WeakPolarHBondContact SG-CB 3.4Å; C206-C220 CovalentContact SG-SG 2.04Å; C206-C220 PolarHBondContact SG-SG 3.16Å |
| 221 | W | 96.1 | Very high | 96.1 | Very high | 46 Ų | 46 | 60.4 Ų | 60.4 | 17% | 0.174 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 163.3 | 175.2 | 55.5 | 99 | 0 | 0 | 0 | 110.5 | G156 R205 K207 | G156-W221 WeakPolarHBondContact O-CB 3.11Å; R205-W221 HydrophobicContact CG-CZ2 4.17Å; R205-W221 PolarHBondContact N-O 2.7Å; R205-W221 PolarHBondContact O-N 3.06Å; K207-W221 HydrophobicContact CB-CH2 3.74Å; K207-W221 HydrophobicContact CB-CZ3 3.88Å |
| 222 | W | 96.7 | Very high | 96.3 | Very high | 92 Ų | 92 | 56.6 Ų | 56.6 | 35% | 0.348 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 129.3 | 171 | -73.1 | 117.3 | 0 | 0 | 0 | 109.8 | W155 S159 E160 M202 H203 L204 | W155-W222 AromaticContact CH2-CD1 3.95Å; W155-W222 AromaticContact CH2-CE2 4Å; W155-W222 AromaticContact CH2-NE1 3.42Å; W155-W222 AromaticContact CZ3-CD1 3.9Å; W155-W222 AromaticContact CZ3-NE1 3.87Å; S159-W222 WeakPolarHBondContact CA-O 3.38Å; S159-W222 PolarHBondContact OG-N 2.86Å; E160-W222 PolarHBondContact N-O 2.96Å; M202-W222 HydrophobicContact CB-CE3 4.14Å; M202-W222 HydrophobicContact CE-CB 4.03Å; M202-W222 WeakPolarHBondContact O-CZ3 3.02Å; H203-W222 VanDerWaalsContact C-CE3 3.47Å; L204-W222 HydrophobicContact CD2-CD2 4.24Å; L204-W222 HydrophobicContact CD2-CE3 4.46Å; L204-W222 HydrophobicContact CG-CE3 4.44Å; L204-W222 HydrophobicContact CG-CH2 4.3Å; L204-W222 HydrophobicContact CG-CZ3 4.27Å |
| 223 | A | 97.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 149.4 | 180 | 0 | 0 | 0 | 0 | 0 | 110.8 | H203 R205 | H203-A223 PolarHBondContact N-O 3.26Å; H203-A223 VanDerWaalsContact N-O 3.08Å; H203-A223 PolarHBondContact ND1-O 2.86Å; H203-A223 PolarHBondContact O-N 3.26Å; R205-A223 HydrophobicContact CB-CB 3.81Å |
| 224 | Q | 97.7 | Very high | 96.9 | Very high | 5 Ų | 5 | 50.5 Ų | 50.5 | 2% | 0.023 | 26% | 0.255 | C | S | . | . | trans | -73.9 | 149.1 | 167.9 | -65.5 | 179.4 | 96.9 | 0 | 0 | 110.1 | F125 T128 E160 M202 | F125-Q224 VanDerWaalsContact CA-OE1 3.29Å; F125-Q224 HydrophobicContact CD2-CB 4.22Å; F125-Q224 HydrophobicContact CD2-CG 4.47Å; F125-Q224 HydrophobicContact CE2-CB 3.84Å; F125-Q224 PolarHBondContact O-NE2 2.98Å; T128-Q224 HydrophobicContact CG2-CG 4.31Å; T128-Q224 VanDerWaalsContact CG2-NE2 3.26Å; E160-Q224 PolarHBondContact OE1-N 3.45Å; E160-Q224 WeakPolarHBondContact OE2-CB 3.3Å; E160-Q224 WeakPolarHBondContact OE2-CG 3.46Å; E160-Q224 PolarHBondContact OE2-N 2.98Å; E160-Q224 PolarHBondContact OE2-NE2 3.03Å; M202-Q224 HydrophobicContact CE-CG 4.29Å; M202-Q224 HydrophobicContact SD-CB 4.31Å; M202-Q224 HydrophobicContact SD-CG 3.49Å; M202-Q224 WeakPolarHBondContact SD-CG 3.4Å | ||
| 225 | P | 97.7 | Very high | 97.1 | Very high | 16 Ų | 16 | 49.6 Ų | 49.6 | 10% | 0.104 | 25% | 0.246 | C | C | . | . | trans | -70.5 | 178.5 | 170 | 35.6 | -37.9 | 0 | 0 | 0 | 110.8 | F125 H201 T229 L230 | F125-P225 VanDerWaalsContact CE2-O 3.28Å; F125-P225 WeakPolarHBondContact CE2-O 3.45Å; H201-P225 HydrophobicContact CB-CG 4.03Å; H201-P225 WeakPolarHBondContact O-CD 3.48Å; P225-T229 HydrophobicContact CB-CG2 4.44Å; P225-L230 HydrophobicContact CG-CD1 4.36Å; P225-L230 HydrophobicContact CG-CD2 3.78Å; P225-L230 HydrophobicContact CG-CG 3.95Å | ||
| 226 | D | 98 | Very high | 97.2 | Very high | 127 Ų | 127 | 51.1 Ų | 51.1 | 68% | 0.679 | 25% | 0.249 | S | C | * | . | trans | -63.4 | 142.6 | 165.2 | -69.7 | -25.4 | 0 | 0 | 0 | 109.9 | R228 T229 | D226-R228 PolarHBondContact O-N 3.24Å; D226-T229 WeakPolarHBondContact O-CB 3.4Å; D226-T229 PolarHBondContact O-N 3.46Å | ||
| 227 | F | 98.4 | Very high | 97.5 | Very high | 13 Ų | 13 | 45 Ų | 45 | 6% | 0.057 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.4 | -24.1 | -177.3 | -165.4 | -107.9 | 0 | 0 | 0 | 113 | L75 E79 I118 A121 F125 T229 L230 G231 | L75-F227 HydrophobicContact CD1-CB 4.39Å; L75-F227 HydrophobicContact CD1-CD1 3.84Å; L75-F227 HydrophobicContact CD1-CE1 4.43Å; L75-F227 HydrophobicContact CD1-CG 4.23Å; L75-F227 HydrophobicContact CD2-CB 4.23Å; L75-F227 HydrophobicContact CD2-CD1 4.01Å; L75-F227 HydrophobicContact CD2-CD2 3.97Å; L75-F227 HydrophobicContact CD2-CE1 4.36Å; L75-F227 HydrophobicContact CD2-CE2 4.35Å; L75-F227 HydrophobicContact CD2-CG 3.8Å; L75-F227 HydrophobicContact CG-CD1 3.6Å; L75-F227 HydrophobicContact CG-CD2 4.43Å; L75-F227 HydrophobicContact CG-CE1 3.8Å; L75-F227 HydrophobicContact CG-CG 3.94Å; L75-F227 HydrophobicContact CG-CZ 4.33Å; E79-F227 HydrophobicContact CB-CD1 3.8Å; E79-F227 HydrophobicContact CB-CE1 3.57Å; E79-F227 HydrophobicContact CG-CD1 3.95Å; E79-F227 HydrophobicContact CG-CE1 3.94Å; I118-F227 HydrophobicContact CD1-CE1 3.9Å; I118-F227 HydrophobicContact CD1-CZ 3.74Å; I118-F227 HydrophobicContact CG1-CE1 4.21Å; I118-F227 HydrophobicContact CG1-CZ 4.16Å; A121-F227 HydrophobicContact CB-CE2 4.4Å; F125-F227 HydrophobicContact CB-CD2 3.91Å; F125-F227 HydrophobicContact CB-CE2 3.95Å; F125-F227 HydrophobicContact CD1-CB 4.49Å; F125-F227 AromaticContact CD1-CD2 3.92Å; F125-F227 HydrophobicContact CD1-CD2 3.92Å; F125-F227 HydrophobicContact CD1-CG 4.5Å; F125-F227 AromaticContact CD2-CD2 3.8Å; F125-F227 HydrophobicContact CD2-CD2 3.8Å; F125-F227 HydrophobicContact CE1-CB 4.16Å; F125-F227 HydrophobicContact CE1-CD2 4.4Å; F125-F227 HydrophobicContact CE2-CB 4.3Å; F125-F227 HydrophobicContact CE2-CD2 4.29Å; F125-F227 AromaticContact CG-CD2 3.6Å; F125-F227 HydrophobicContact CG-CD2 3.6Å; F125-F227 HydrophobicContact CG-CE2 4.17Å; F125-F227 HydrophobicContact CZ-CB 4.05Å; F227-T229 VanDerWaalsContact C-N 3.32Å; F227-T229 PolarHBondContact O-N 3.06Å; F227-L230 HydrophobicContact CD2-CD1 3.79Å; F227-L230 HydrophobicContact CE2-CD1 4.22Å; F227-L230 WeakPolarHBondContact O-CB 3.35Å; F227-L230 PolarHBondContact O-N 2.89Å; F227-G231 PolarHBondContact O-N 2.85Å |
| 228 | R | 98.4 | Very high | 97.7 | Very high | 101 Ų | 101 | 41.5 Ų | 41.5 | 38% | 0.381 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -56 | -44.7 | 172.5 | -178.8 | 52.8 | 50.7 | 83.6 | -0.2 | 112.3 | E79 H82 D226 L230 G231 D232 | E79-R228 VanDerWaalsContact CD-NE 3.27Å; E79-R228 VanDerWaalsContact OE1-CD 3.32Å; E79-R228 WeakPolarHBondContact OE1-CD 3.26Å; E79-R228 IonicContact OE1-CZ 3.98Å; E79-R228 IonicContact OE1-NE 3.58Å; E79-R228 PolarHBondContact OE1-NE 3.08Å; E79-R228 IonicContact OE2-CZ 2.68Å; E79-R228 IonicContact OE2-NE 2.75Å; E79-R228 PolarHBondContact OE2-NE 3.08Å; E79-R228 IonicContact OE2-NH2 2.88Å; E79-R228 PolarHBondContact OE2-NH2 3.29Å; H82-R228 PolarHBondContact CD2-NH2 3.08Å; H82-R228 PolarHBondContact CE1-NE 2.78Å; H82-R228 PolarHBondContact CE1-NH1 3.3Å; H82-R228 VanDerWaalsContact CG-NH2 3.25Å; H82-R228 PolarHBondContact ND1-NE 2.8Å; H82-R228 PolarHBondContact ND1-NH2 2.7Å; H82-R228 VanDerWaalsContact NE2-CZ 3.34Å; H82-R228 PolarHBondContact NE2-NH1 3.43Å; D226-R228 PolarHBondContact O-N 3.24Å; R228-L230 VanDerWaalsContact C-N 3.26Å; R228-L230 PolarHBondContact O-N 3.12Å; R228-G231 WeakPolarHBondContact O-CA 3.38Å; R228-G231 PolarHBondContact O-N 3.43Å; R228-G231 VanDerWaalsContact O-N 3.13Å; R228-D232 VanDerWaalsContact O-CG 3.28Å; R228-D232 PolarHBondContact O-N 3.32Å |
| 229 | T | 98.4 | Very high | 97.8 | Very high | 67 Ų | 67 | 41.8 Ų | 41.8 | 41% | 0.411 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -60.1 | -39.1 | 179 | -54.8 | 0 | 0 | 0 | 0 | 111.5 | P225 D226 F227 Y233 | P225-T229 HydrophobicContact CB-CG2 4.44Å; D226-T229 WeakPolarHBondContact O-CB 3.4Å; D226-T229 PolarHBondContact O-N 3.46Å; F227-T229 VanDerWaalsContact C-N 3.32Å; F227-T229 PolarHBondContact O-N 3.06Å; T229-Y233 PolarHBondContact O-N 3.46Å |
| 230 | L | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -70.6 | -39.7 | 177.3 | -55.1 | 171.2 | 0 | 0 | 0 | 111.2 | F125 T197 I198 H201 P225 F227 R228 Y233 L234 | F125-L230 HydrophobicContact CD2-CD1 3.81Å; F125-L230 HydrophobicContact CE2-CD1 4.27Å; T197-L230 HydrophobicContact CG2-CD2 3.91Å; I198-L230 HydrophobicContact CD1-CD1 3.39Å; I198-L230 HydrophobicContact CD1-CD2 4.47Å; I198-L230 HydrophobicContact CD1-CG 4.47Å; H201-L230 HydrophobicContact CB-CD2 3.69Å; P225-L230 HydrophobicContact CG-CD1 4.36Å; P225-L230 HydrophobicContact CG-CD2 3.78Å; P225-L230 HydrophobicContact CG-CG 3.95Å; F227-L230 HydrophobicContact CD2-CD1 3.79Å; F227-L230 HydrophobicContact CE2-CD1 4.22Å; F227-L230 WeakPolarHBondContact O-CB 3.35Å; F227-L230 PolarHBondContact O-N 2.89Å; R228-L230 VanDerWaalsContact C-N 3.26Å; R228-L230 PolarHBondContact O-N 3.12Å; L230-Y233 PolarHBondContact O-N 3.27Å; L230-L234 WeakPolarHBondContact O-CB 3.46Å; L230-L234 WeakPolarHBondContact O-CG 3.23Å; L230-L234 PolarHBondContact O-N 3.45Å |
| 231 | G | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.5 | -45 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F227 R228 L234 K235 | F227-G231 PolarHBondContact O-N 2.85Å; R228-G231 WeakPolarHBondContact O-CA 3.38Å; R228-G231 PolarHBondContact O-N 3.43Å; R228-G231 VanDerWaalsContact O-N 3.13Å; G231-L234 PolarHBondContact O-N 3.11Å; G231-K235 WeakPolarHBondContact O-CB 3.44Å; G231-K235 PolarHBondContact O-N 2.95Å |
| 232 | D | 98.6 | Very high | 98 | Very high | 72 Ų | 72 | 43.2 Ų | 43.2 | 39% | 0.385 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.8 | -47 | 176.6 | -65.5 | -26.3 | 0 | 0 | 0 | 110.8 | Q83 R228 L234 K235 D236 | Q83-D232 PolarHBondContact NE2-OD1 2.81Å; R228-D232 VanDerWaalsContact O-CG 3.28Å; R228-D232 PolarHBondContact O-N 3.32Å; D232-L234 PolarHBondContact O-N 3.36Å; D232-K235 WeakPolarHBondContact O-CB 3.18Å; D232-K235 PolarHBondContact O-N 3.36Å; D232-K235 VanDerWaalsContact O-N 3.11Å; D232-D236 PolarHBondContact O-N 3.32Å |
| 233 | Y | 98.7 | Very high | 98.1 | Very high | 58 Ų | 58 | 41 Ų | 41 | 23% | 0.227 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.3 | -47.3 | 176.9 | 177.3 | -93.3 | 0 | 0 | 0 | 112.7 | T197 H201 T229 L230 K235 D236 K237 | T197-Y233 HydrophobicContact CG2-CD1 3.4Å; T197-Y233 HydrophobicContact CG2-CE1 3.81Å; T197-Y233 HydrophobicContact CG2-CG 4.25Å; T197-Y233 WeakPolarHBondContact OG1-CE1 3.28Å; H201-Y233 AromaticContact CE1-CD1 3.88Å; H201-Y233 AromaticContact CE1-CD2 3.72Å; H201-Y233 AromaticContact CE1-CE2 3.94Å; H201-Y233 AromaticContact CE1-CG 3.68Å; H201-Y233 AromaticContact NE2-CD2 3.73Å; H201-Y233 AromaticContact NE2-CG 3.88Å; T229-Y233 PolarHBondContact O-N 3.46Å; L230-Y233 PolarHBondContact O-N 3.27Å; Y233-K235 PolarHBondContact O-N 3.06Å; Y233-D236 WeakPolarHBondContact O-CB 3.34Å; Y233-D236 PolarHBondContact O-N 3.1Å; Y233-K237 HydrophobicContact CD1-CG 4.29Å; Y233-K237 HydrophobicContact CE1-CG 3.92Å; Y233-K237 VanDerWaalsContact CZ-CE 3.45Å; Y233-K237 PolarHBondContact O-N 2.03Å; Y233-K237 WeakPolarHBondContact OH-CE 3.5Å |
| 234 | L | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.3 | -27.9 | 177.1 | -74.1 | 172.3 | 0 | 0 | 0 | 111.7 | F114 A117 I118 A121 T197 L230 G231 D232 D236 K237 Y238 | F114-L234 HydrophobicContact CD2-CB 4.24Å; F114-L234 WeakPolarHBondContact CD2-O 3.28Å; F114-L234 HydrophobicContact CE2-CB 3.73Å; A117-L234 HydrophobicContact CB-CD1 4.47Å; A117-L234 HydrophobicContact CB-CD2 4.13Å; I118-L234 HydrophobicContact CB-CD1 4.34Å; I118-L234 HydrophobicContact CD1-CD1 3.63Å; A121-L234 HydrophobicContact CB-CD1 4.09Å; T197-L234 HydrophobicContact CG2-CG 4.43Å; L230-L234 WeakPolarHBondContact O-CB 3.46Å; L230-L234 WeakPolarHBondContact O-CG 3.23Å; L230-L234 PolarHBondContact O-N 3.45Å; G231-L234 PolarHBondContact O-N 3.11Å; D232-L234 PolarHBondContact O-N 3.36Å; L234-D236 VanDerWaalsContact C-N 3.35Å; L234-K237 PolarHBondContact O-N 3.44Å; L234-Y238 PolarHBondContact O-N 3.45Å |
| 235 | K | 98.3 | Very high | 98.1 | Very high | 14 Ų | 14 | 44.2 Ų | 44.2 | 6% | 0.061 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70.7 | -33.5 | 177.1 | 176.2 | 62.5 | -157.6 | 60.8 | 0 | 111.4 | Q83 F84 F114 G231 D232 Y233 Y238 D239 | Q83-K235 HydrophobicContact CB-CD 4.25Å; Q83-K235 HydrophobicContact CB-CG 4.46Å; Q83-K235 HydrophobicContact CG-CB 4.3Å; F84-K235 HydrophobicContact CE2-CD 4.01Å; F84-K235 HydrophobicContact CZ-CD 4.05Å; F114-K235 HydrophobicContact CE2-CB 4.2Å; G231-K235 WeakPolarHBondContact O-CB 3.44Å; G231-K235 PolarHBondContact O-N 2.95Å; D232-K235 WeakPolarHBondContact O-CB 3.18Å; D232-K235 PolarHBondContact O-N 3.36Å; D232-K235 VanDerWaalsContact O-N 3.11Å; Y233-K235 PolarHBondContact O-N 3.06Å; K235-Y238 HydrophobicContact CD-CD1 4.34Å; K235-Y238 WeakPolarHBondContact O-CB 3.37Å; K235-Y238 PolarHBondContact O-N 2.82Å; K235-D239 IonicContact NZ-OD1 2.74Å; K235-D239 PolarHBondContact NZ-OD1 2.72Å; K235-D239 IonicContact NZ-OD2 3.49Å; K235-D239 PolarHBondContact NZ-OD2 3.24Å; K235-D239 PolarHBondContact O-N 3.32Å |
| 236 | D | 98.3 | Very high | 98.1 | Very high | 107 Ų | 107 | 45.7 Ų | 45.7 | 57% | 0.572 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -66.7 | -44.3 | 169.1 | -70.4 | -18.2 | 0 | 0 | 0 | 110.9 | D232 Y233 L234 Y238 D239 S240 | D232-D236 PolarHBondContact O-N 3.32Å; Y233-D236 WeakPolarHBondContact O-CB 3.34Å; Y233-D236 PolarHBondContact O-N 3.1Å; L234-D236 VanDerWaalsContact C-N 3.35Å; D236-Y238 PolarHBondContact O-N 3Å; D236-D239 PolarHBondContact O-N 2.86Å; D236-S240 PolarHBondContact O-N 3.34Å; D236-S240 VanDerWaalsContact O-N 3.12Å; D236-S240 PolarHBondContact O-OG 3.1Å |
| 237 | K | 98.5 | Very high | 98 | Very high | 37 Ų | 37 | 43.4 Ų | 43.4 | 16% | 0.161 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.1 | -31.8 | 174.6 | -66.5 | -58.7 | -169.1 | 175.4 | 0 | 113.3 | Y233 L234 S240 A241 R272 D273 L274 | Y233-K237 HydrophobicContact CD1-CG 4.29Å; Y233-K237 HydrophobicContact CE1-CG 3.92Å; Y233-K237 VanDerWaalsContact CZ-CE 3.45Å; Y233-K237 PolarHBondContact O-N 2.03Å; Y233-K237 WeakPolarHBondContact OH-CE 3.5Å; L234-K237 PolarHBondContact O-N 3.44Å; K237-S240 CarbonylContact O-C 3.59Å; K237-A241 WeakPolarHBondContact O-CA 3.03Å; K237-A241 PolarHBondContact O-N 2.75Å; K237-R272 VanDerWaalsContact CE-O 3.29Å; K237-R272 WeakPolarHBondContact CE-O 3.44Å; K237-D273 IonicContact NZ-OD1 3.14Å; K237-D273 PolarHBondContact NZ-OD1 3.14Å; K237-L274 HydrophobicContact CB-CD1 4.21Å; K237-L274 HydrophobicContact CB-CG 4.03Å |
| 238 | Y | 98.1 | Very high | 97.8 | Very high | 15 Ų | 15 | 49.4 Ų | 49.4 | 6% | 0.059 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.8 | -44 | 171 | 164 | -84.1 | 0 | 0 | 0 | 111.6 | F84 R110 E111 F114 L234 K235 D236 S240 A241 | F84-Y238 HydrophobicContact CE1-CD1 4.33Å; F84-Y238 HydrophobicContact CE1-CD2 4.45Å; F84-Y238 AromaticContact CE1-CE1 3.81Å; F84-Y238 HydrophobicContact CE1-CE1 3.81Å; F84-Y238 AromaticContact CE1-CE2 3.93Å; F84-Y238 HydrophobicContact CE1-CE2 3.93Å; F84-Y238 AromaticContact CE1-CZ 3.59Å; F84-Y238 AromaticContact CZ-CD1 3.95Å; F84-Y238 HydrophobicContact CZ-CD1 3.95Å; F84-Y238 AromaticContact CZ-CD2 3.83Å; F84-Y238 HydrophobicContact CZ-CD2 3.83Å; F84-Y238 AromaticContact CZ-CE1 3.89Å; F84-Y238 HydrophobicContact CZ-CE1 3.89Å; F84-Y238 AromaticContact CZ-CE2 3.74Å; F84-Y238 HydrophobicContact CZ-CE2 3.74Å; F84-Y238 AromaticContact CZ-CG 3.93Å; F84-Y238 HydrophobicContact CZ-CG 3.93Å; F84-Y238 AromaticContact CZ-CZ 3.79Å; R110-Y238 HydrophobicContact CB-CD2 4.44Å; R110-Y238 HydrophobicContact CB-CE2 3.92Å; R110-Y238 VanDerWaalsContact CD-O 3.3Å; R110-Y238 WeakPolarHBondContact CD-O 3.27Å; R110-Y238 HydrophobicContact CG-CD2 3.59Å; R110-Y238 HydrophobicContact CG-CE2 3.45Å; R110-Y238 VanDerWaalsContact CG-CE2 3.45Å; R110-Y238 HydrophobicContact CG-CG 4.34Å; R110-Y238 WeakPolarHBondContact O-CD2 3.44Å; E111-Y238 HydrophobicContact CG-CE2 4.27Å; E111-Y238 PolarHBondContact OE1-OH 2.79Å; F114-Y238 HydrophobicContact CB-CD2 3.77Å; F114-Y238 HydrophobicContact CB-CG 4.38Å; F114-Y238 HydrophobicContact CG-CD2 4.43Å; L234-Y238 PolarHBondContact O-N 3.45Å; K235-Y238 HydrophobicContact CD-CD1 4.34Å; K235-Y238 WeakPolarHBondContact O-CB 3.37Å; K235-Y238 PolarHBondContact O-N 2.82Å; D236-Y238 PolarHBondContact O-N 3Å; Y238-S240 PolarHBondContact O-N 3.01Å; Y238-A241 WeakPolarHBondContact O-CB 3.43Å; Y238-A241 PolarHBondContact O-N 2.71Å |
| 239 | D | 96.9 | Very high | 97.6 | Very high | 72 Ų | 72 | 47.9 Ų | 47.9 | 39% | 0.385 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.2 | -32.6 | -179.6 | -73.1 | -25.9 | 0 | 0 | 0 | 111.5 | R87 R110 K235 D236 | R87-D239 IonicContact NH2-OD1 2.98Å; R87-D239 IonicContact NH2-OD2 3.28Å; R110-D239 PolarHBondContact NH1-O 3.47Å; R110-D239 VanDerWaalsContact NH1-O 3.13Å; K235-D239 IonicContact NZ-OD1 2.74Å; K235-D239 PolarHBondContact NZ-OD1 2.72Å; K235-D239 IonicContact NZ-OD2 3.49Å; K235-D239 PolarHBondContact NZ-OD2 3.24Å; K235-D239 PolarHBondContact O-N 3.32Å; D236-D239 PolarHBondContact O-N 2.86Å |
| 240 | S | 97 | Very high | 97.4 | Very high | 71 Ų | 71 | 54.2 Ų | 54.2 | 50% | 0.497 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 16 | 176.9 | 72.8 | 0 | 0 | 0 | 0 | 115.2 | D236 K237 Y238 | D236-S240 PolarHBondContact O-N 3.34Å; D236-S240 VanDerWaalsContact O-N 3.12Å; D236-S240 PolarHBondContact O-OG 3.1Å; K237-S240 CarbonylContact O-C 3.59Å; Y238-S240 PolarHBondContact O-N 3.01Å |
| 241 | A | 97.9 | Very high | 97.1 | Very high | 10 Ų | 10 | 58.7 Ų | 58.7 | 8% | 0.083 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 139.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | R110 K237 Y238 L274 Y276 | R110-A241 HydrophobicContact CG-CB 3.88Å; K237-A241 WeakPolarHBondContact O-CA 3.03Å; K237-A241 PolarHBondContact O-N 2.75Å; Y238-A241 WeakPolarHBondContact O-CB 3.43Å; Y238-A241 PolarHBondContact O-N 2.71Å; A241-L274 CarbonylContact C-O 3.54Å; A241-L274 VanDerWaalsContact CA-O 3.32Å; A241-L274 WeakPolarHBondContact CA-O 3.37Å; A241-L274 HydrophobicContact CB-CB 3.94Å; A241-Y276 HydrophobicContact CB-CD1 3.94Å; A241-Y276 HydrophobicContact CB-CE1 4.09Å |
| 242 | S | 97.9 | Very high | 96.8 | Very high | 30 Ų | 30 | 65 Ų | 65 | 21% | 0.21 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 129.7 | -176.7 | -66.4 | 0 | 0 | 0 | 0 | 112 | L274 V275 Y276 | S242-L274 PolarHBondContact N-O 3.41Å; S242-V275 WeakPolarHBondContact O-CA 3.32Å; S242-Y276 PolarHBondContact O-N 3.46Å |
| 243 | E | 97.7 | Very high | 96.3 | Very high | 47 Ų | 47 | 73.2 Ų | 73.2 | 22% | 0.22 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 129.5 | 172.5 | -164.4 | -178.2 | 175 | 0 | 0 | 110.5 | K262 Y276 | E243-K262 HydrophobicContact CB-CD 4.29Å; E243-K262 HydrophobicContact CG-CD 3.83Å; E243-K262 WeakPolarHBondContact O-CB 3.49Å; E243-K262 PolarHBondContact O-N 3.4Å; E243-K262 IonicContact OE1-NZ 2.75Å; E243-K262 PolarHBondContact OE1-NZ 3.02Å; E243-K262 WeakPolarHBondContact OE2-CD 3.33Å; E243-K262 IonicContact OE2-NZ 3.12Å; E243-K262 PolarHBondContact OE2-NZ 3.06Å; E243-Y276 CarbonylContact C-O 3.52Å; E243-Y276 WeakPolarHBondContact CA-O 3.46Å; E243-Y276 HydrophobicContact CB-CE1 4.16Å; E243-Y276 HydrophobicContact CB-CE2 4.15Å; E243-Y276 HydrophobicContact CG-CD2 4.41Å; E243-Y276 HydrophobicContact CG-CE2 3.82Å |
| 244 | M | 97.9 | Very high | 96 | Very high | 17 Ų | 17 | 71.8 Ų | 71.8 | 8% | 0.084 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 164.2 | -176.5 | -50.9 | -60.7 | -80.5 | 0 | 0 | 111 | L259 R260 V261 P269 V275 Y276 Y277 | M244-L259 HydrophobicContact CB-CB 4.11Å; M244-L259 HydrophobicContact CB-CD2 4.36Å; M244-L259 HydrophobicContact CE-CB 3.93Å; M244-L259 HydrophobicContact CG-CB 4.35Å; M244-R260 CarbonylContact C-O 3.54Å; M244-R260 VanDerWaalsContact CA-O 3.25Å; M244-R260 WeakPolarHBondContact CA-O 2.98Å; M244-V261 HydrophobicContact CE-CG1 3.99Å; M244-V261 HydrophobicContact SD-CB 4.46Å; M244-V261 HydrophobicContact SD-CG1 3.92Å; M244-P269 HydrophobicContact CE-CG 4.33Å; M244-P269 HydrophobicContact SD-CG 4.15Å; M244-V275 HydrophobicContact CG-CB 3.76Å; M244-V275 HydrophobicContact CG-CG1 4.16Å; M244-V275 HydrophobicContact SD-CB 4.33Å; M244-V275 HydrophobicContact SD-CG1 4.06Å; M244-Y276 PolarHBondContact N-O 2.88Å; M244-Y277 WeakPolarHBondContact O-CB 3.42Å |
| 245 | V | 97.5 | Very high | 95.7 | Very high | 54 Ų | 54 | 80.3 Ų | 80.3 | 33% | 0.327 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 139.8 | 172.9 | 180 | 0 | 0 | 0 | 0 | 108 | R260 K262 | V245-R260 PolarHBondContact N-O 3.37Å; V245-R260 PolarHBondContact O-N 3.28Å; V245-K262 HydrophobicContact CG2-CB 3.75Å; V245-K262 HydrophobicContact CG2-CD 4.43Å; V245-K262 HydrophobicContact CG2-CG 3.79Å |
| 246 | V | 97.6 | Very high | 95.6 | Very high | 47 Ų | 47 | 80.7 Ų | 80.7 | 29% | 0.285 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 124.4 | 177.2 | -178.3 | 0 | 0 | 0 | 0 | 109.8 | A182 E257 T258 L259 Y277 | A182-V246 HydrophobicContact CB-CB 4.31Å; A182-V246 HydrophobicContact CB-CG1 3.74Å; A182-V246 HydrophobicContact CB-CG2 3.59Å; V246-E257 HydrophobicContact CG1-CB 4.05Å; V246-E257 HydrophobicContact CG1-CG 4.43Å; V246-T258 WeakPolarHBondContact CA-O 3.34Å; V246-L259 HydrophobicContact CG2-CD2 4.15Å; V246-Y277 HydrophobicContact CG2-CD1 4.42Å; V246-Y277 HydrophobicContact CG2-CD2 3.75Å; V246-Y277 HydrophobicContact CG2-CE2 4.03Å; V246-Y277 HydrophobicContact CG2-CG 3.99Å |
| 247 | E | 95.9 | Very high | 95.5 | Very high | 79 Ų | 79 | 78 Ų | 78 | 37% | 0.369 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 144.8 | 171.1 | -66.3 | -170.3 | 158.3 | 0 | 0 | 110.1 | E257 T258 R260 | E247-E257 CarbonylContact O-C 3.48Å; E247-E257 VanDerWaalsContact O-CA 3.25Å; E247-E257 WeakPolarHBondContact O-CA 3.45Å; E247-T258 PolarHBondContact N-O 2.93Å; E247-T258 PolarHBondContact O-N 3.21Å; E247-R260 HydrophobicContact CG-CB 4.3Å; E247-R260 VanDerWaalsContact OE1-CD 3.31Å; E247-R260 WeakPolarHBondContact OE1-CD 3.45Å; E247-R260 IonicContact OE1-CZ 3.01Å; E247-R260 IonicContact OE1-NE 2.84Å; E247-R260 PolarHBondContact OE1-NE 3.47Å; E247-R260 IonicContact OE1-NH2 3.95Å; E247-R260 IonicContact OE2-NE 3.96Å |
| 248 | K | 95.2 | Very high | 95.3 | Very high | 139 Ų | 139 | 78.6 Ų | 78.6 | 60% | 0.604 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 121.9 | -178.3 | -66.4 | -168.8 | -178.9 | -151.1 | 0 | 109.5 | E257 | K248-E257 HydrophobicContact CD-CG 4.48Å; K248-E257 WeakPolarHBondContact CE-OE1 3.46Å; K248-E257 HydrophobicContact CG-CG 4.11Å; K248-E257 IonicContact NZ-OE1 3.12Å; K248-E257 PolarHBondContact NZ-OE1 3.3Å |
| 249 | H | 93.7 | Very high | 95.2 | Very high | 70 Ų | 70 | 79.8 Ų | 79.8 | 32% | 0.324 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 164.1 | 172.9 | 64.6 | -88.5 | 0 | 0 | 0 | 111 | E251 V256 | H249-E251 IonicContact CD2-OE1 2.64Å; H249-E251 IonicContact CE1-OE1 2.67Å; H249-E251 IonicContact NE2-OE1 3.5Å; H249-E251 PolarHBondContact NE2-OE1 2.93Å; H249-V256 PolarHBondContact N-O 3.05Å; H249-V256 PolarHBondContact O-N 2.81Å |
| 250 | R | 93.3 | Very high | 95.2 | Very high | 199 Ų | 199 | 80.7 Ų | 80.7 | 75% | 0.751 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 121.9 | -176.1 | -173.5 | 173.7 | 168.2 | 179.3 | -3.8 | 109.6 | W255 | R250-W255 HydrophobicContact CB-CE3 4.26Å; R250-W255 HydrophobicContact CB-CZ3 4.29Å |
| 251 | E | 92.8 | Very high | 95.1 | Very high | 95 Ų | 95 | 77.9 Ų | 77.9 | 44% | 0.444 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 174.4 | 171.7 | -64.1 | -174.3 | -169.6 | 0 | 0 | 110.4 | H249 R253 G254 V256 | H249-E251 IonicContact CD2-OE1 2.64Å; H249-E251 IonicContact CE1-OE1 2.67Å; H249-E251 IonicContact NE2-OE1 3.5Å; H249-E251 PolarHBondContact NE2-OE1 2.93Å; E251-R253 PolarHBondContact O-N 3.11Å; E251-G254 PolarHBondContact N-O 3.02Å; E251-G254 PolarHBondContact O-N 3.42Å; E251-G254 VanDerWaalsContact O-N 3.1Å; E251-V256 HydrophobicContact CB-CG2 4.05Å; E251-V256 HydrophobicContact CG-CB 4.42Å; E251-V256 HydrophobicContact CG-CG2 3.84Å |
| 252 | S | 92.5 | Very high | 95 | Very high | 132 Ų | 132 | 81.1 Ų | 81.1 | 92% | 0.923 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -25.6 | 178.6 | 39.4 | 0 | 0 | 0 | 0 | 113.4 | ||
| 253 | R | 88.5 | Confident | 94.8 | Very high | 245 Ų | 245 | 84.5 Ų | 84.5 | 93% | 0.925 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -3.4 | 177.2 | -65.6 | -176.4 | 178.6 | 175 | 1.2 | 114.4 | E251 | E251-R253 PolarHBondContact O-N 3.11Š|
| 254 | G | 92.3 | Very high | 94.5 | Very high | 28 Ų | 28 | 87.1 Ų | 87.1 | 29% | 0.289 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 131 | -162.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | E251 | E251-G254 PolarHBondContact N-O 3.02Å; E251-G254 PolarHBondContact O-N 3.42Å; E251-G254 VanDerWaalsContact O-N 3.1Å |
| 255 | W | 92.8 | Very high | 94.2 | Very high | 179 Ų | 179 | 93.6 Ų | 93.6 | 68% | 0.678 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 134.7 | 173.9 | -67.8 | 99.3 | 0 | 0 | 0 | 110.4 | R250 | R250-W255 HydrophobicContact CB-CE3 4.26Å; R250-W255 HydrophobicContact CB-CZ3 4.29Å |
| 256 | V | 94.9 | Very high | 94 | Very high | 22 Ų | 22 | 97.1 Ų | 97.1 | 13% | 0.133 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 136.8 | 177.3 | -176.8 | 0 | 0 | 0 | 0 | 108.6 | P180 H249 E251 T258 | P180-V256 HydrophobicContact CB-CB 4.34Å; P180-V256 HydrophobicContact CB-CG1 4.11Å; P180-V256 HydrophobicContact CB-CG2 4.01Å; H249-V256 PolarHBondContact N-O 3.05Å; H249-V256 PolarHBondContact O-N 2.81Å; E251-V256 HydrophobicContact CB-CG2 4.05Å; E251-V256 HydrophobicContact CG-CB 4.42Å; E251-V256 HydrophobicContact CG-CG2 3.84Å; V256-T258 HydrophobicContact CG1-CG2 4.45Å |
| 257 | E | 95.9 | Very high | 93.7 | Very high | 49 Ų | 49 | 104.5 Ų | 104.5 | 23% | 0.229 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 129.6 | 173.2 | -54 | -172.5 | 152.2 | 0 | 0 | 110 | P180 A182 V246 E247 K248 | P180-E257 PolarHBondContact O-N 3.47Å; A182-E257 HydrophobicContact CB-CB 4.04Å; A182-E257 WeakPolarHBondContact CB-OE2 3.33Å; A182-E257 PolarHBondContact N-OE2 2.76Å; V246-E257 HydrophobicContact CG1-CB 4.05Å; V246-E257 HydrophobicContact CG1-CG 4.43Å; E247-E257 CarbonylContact O-C 3.48Å; E247-E257 VanDerWaalsContact O-CA 3.25Å; E247-E257 WeakPolarHBondContact O-CA 3.45Å; K248-E257 HydrophobicContact CD-CG 4.48Å; K248-E257 WeakPolarHBondContact CE-OE1 3.46Å; K248-E257 HydrophobicContact CG-CG 4.11Å; K248-E257 IonicContact NZ-OE1 3.12Å; K248-E257 PolarHBondContact NZ-OE1 3.3Å |
| 258 | T | 95.3 | Very high | 93.7 | Very high | 51 Ų | 51 | 106.5 Ų | 106.5 | 31% | 0.313 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 161.5 | 175.7 | 50.2 | 0 | 0 | 0 | 0 | 111.5 | V246 E247 V256 | V246-T258 WeakPolarHBondContact CA-O 3.34Å; E247-T258 PolarHBondContact N-O 2.93Å; E247-T258 PolarHBondContact O-N 3.21Å; V256-T258 HydrophobicContact CG1-CG2 4.45Å |
| 259 | L | 96.7 | Very high | 93.8 | Very high | 39 Ų | 39 | 101.2 Ų | 101.2 | 20% | 0.204 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 122.1 | 180 | -60.5 | 179.3 | 0 | 0 | 0 | 109.5 | A182 A185 M186 M244 V246 V275 Y277 | A182-L259 HydrophobicContact CB-CD2 4.04Å; A185-L259 HydrophobicContact CB-CD1 4.25Å; A185-L259 HydrophobicContact CB-CG 4.26Å; M186-L259 HydrophobicContact CB-CD1 3.83Å; M186-L259 HydrophobicContact CG-CD1 4.42Å; M244-L259 HydrophobicContact CB-CB 4.11Å; M244-L259 HydrophobicContact CB-CD2 4.36Å; M244-L259 HydrophobicContact CE-CB 3.93Å; M244-L259 HydrophobicContact CG-CB 4.35Å; V246-L259 HydrophobicContact CG2-CD2 4.15Å; L259-V275 HydrophobicContact CD1-CG2 4.37Å; L259-Y277 HydrophobicContact CD2-CD1 3.71Å; L259-Y277 HydrophobicContact CD2-CE1 4.26Å; L259-Y277 HydrophobicContact CD2-CG 4.32Å |
| 260 | R | 95.6 | Very high | 94 | Very high | 91 Ų | 91 | 101.1 Ų | 101.1 | 34% | 0.343 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 147 | 170.4 | -170.5 | 179.5 | 64.1 | 76.3 | 1.1 | 109.8 | M244 V245 E247 K262 N264 | M244-R260 CarbonylContact C-O 3.54Å; M244-R260 VanDerWaalsContact CA-O 3.25Å; M244-R260 WeakPolarHBondContact CA-O 2.98Å; V245-R260 PolarHBondContact N-O 3.37Å; V245-R260 PolarHBondContact O-N 3.28Å; E247-R260 HydrophobicContact CG-CB 4.3Å; E247-R260 VanDerWaalsContact OE1-CD 3.31Å; E247-R260 WeakPolarHBondContact OE1-CD 3.45Å; E247-R260 IonicContact OE1-CZ 3.01Å; E247-R260 IonicContact OE1-NE 2.84Å; E247-R260 PolarHBondContact OE1-NE 3.47Å; E247-R260 IonicContact OE1-NH2 3.95Å; E247-R260 IonicContact OE2-NE 3.96Å; R260-K262 PolarHBondContact O-N 3.12Å; R260-N264 PolarHBondContact NH1-OD1 2.74Å |
| 261 | V | 95.9 | Very high | 94.1 | Very high | 13 Ų | 13 | 97.8 Ų | 97.8 | 8% | 0.079 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 135.2 | 173.7 | -67.3 | 0 | 0 | 0 | 0 | 111.3 | M244 N264 P269 | M244-V261 HydrophobicContact CE-CG1 3.99Å; M244-V261 HydrophobicContact SD-CB 4.46Å; M244-V261 HydrophobicContact SD-CG1 3.92Å; V261-N264 WeakPolarHBondContact CG2-OD1 3.44Å; V261-N264 PolarHBondContact O-OD1 3.44Å; V261-P269 HydrophobicContact CG1-CG 3.99Å |
| 262 | K | 95.4 | Very high | 94.4 | Very high | 78 Ų | 78 | 98 Ų | 98 | 34% | 0.339 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -70.8 | -37.4 | 177.6 | -174 | 174.4 | 175.8 | -172.3 | 0 | 112.3 | E243 V245 R260 | E243-K262 HydrophobicContact CB-CD 4.29Å; E243-K262 HydrophobicContact CG-CD 3.83Å; E243-K262 WeakPolarHBondContact O-CB 3.49Å; E243-K262 PolarHBondContact O-N 3.4Å; E243-K262 IonicContact OE1-NZ 2.75Å; E243-K262 PolarHBondContact OE1-NZ 3.02Å; E243-K262 WeakPolarHBondContact OE2-CD 3.33Å; E243-K262 IonicContact OE2-NZ 3.12Å; E243-K262 PolarHBondContact OE2-NZ 3.06Å; V245-K262 HydrophobicContact CG2-CB 3.75Å; V245-K262 HydrophobicContact CG2-CD 4.43Å; V245-K262 HydrophobicContact CG2-CG 3.79Å; R260-K262 PolarHBondContact O-N 3.12Å |
| 263 | Y | 93.6 | Very high | 94.6 | Very high | 100 Ų | 100 | 93 Ų | 93 | 39% | 0.392 | 42% | 0.422 | S | S | . | . | trans | -119.3 | 95.8 | -172.5 | -59.8 | -70.2 | 0 | 0 | 0 | 111 | F265 F266 | Y263-F265 AromaticContact CD1-CE1 3.66Å; Y263-F265 HydrophobicContact CD1-CE1 3.66Å; Y263-F265 AromaticContact CD1-CZ 3.51Å; Y263-F265 HydrophobicContact CD1-CZ 3.51Å; Y263-F265 HydrophobicContact CE1-CZ 4.41Å; Y263-F265 HydrophobicContact CG-CE1 4.18Å; Y263-F265 AromaticContact CG-CZ 3.96Å; Y263-F265 HydrophobicContact CG-CZ 3.96Å; Y263-F265 PolarHBondContact O-N 3.02Å; Y263-F266 HydrophobicContact CG-CD2 4.32Å; Y263-F266 HydrophobicContact CG-CE2 4.41Å; Y263-F266 PolarHBondContact O-N 2.98Å | ||
| 264 | N | 90.7 | Very high | 95.1 | Very high | 102 Ų | 102 | 81.3 Ų | 81.3 | 55% | 0.545 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -10.5 | -174.5 | -65.3 | 5.4 | 0 | 0 | 0 | 114.8 | R260 V261 | R260-N264 PolarHBondContact NH1-OD1 2.74Å; V261-N264 WeakPolarHBondContact CG2-OD1 3.44Å; V261-N264 PolarHBondContact O-OD1 3.44Å |
| 265 | F | 92.6 | Very high | 95.4 | Very high | 153 Ų | 153 | 80.1 Ų | 80.1 | 67% | 0.671 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -12.5 | 179.5 | 49.4 | -89.9 | 0 | 0 | 0 | 113.1 | Y263 | Y263-F265 AromaticContact CD1-CE1 3.66Å; Y263-F265 HydrophobicContact CD1-CE1 3.66Å; Y263-F265 AromaticContact CD1-CZ 3.51Å; Y263-F265 HydrophobicContact CD1-CZ 3.51Å; Y263-F265 HydrophobicContact CE1-CZ 4.41Å; Y263-F265 HydrophobicContact CG-CE1 4.18Å; Y263-F265 AromaticContact CG-CZ 3.96Å; Y263-F265 HydrophobicContact CG-CZ 3.96Å; Y263-F265 PolarHBondContact O-N 3.02Å |
| 266 | F | 92.3 | Very high | 95.6 | Very high | 129 Ų | 129 | 72.6 Ų | 72.6 | 57% | 0.566 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -93.7 | 164.3 | 171.9 | -64.3 | -58.6 | 0 | 0 | 0 | 111.2 | Y263 H268 | Y263-F266 HydrophobicContact CG-CD2 4.32Å; Y263-F266 HydrophobicContact CG-CE2 4.41Å; Y263-F266 PolarHBondContact O-N 2.98Å; F266-H268 PolarHBondContact O-N 3.12Å |
| 267 | K | 92.9 | Very high | 95.8 | Very high | 201 Ų | 201 | 74 Ų | 74 | 87% | 0.874 | 34% | 0.34 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 136.5 | 173.1 | -68.5 | -176.2 | 178.9 | -179 | 0 | 109.7 | ||
| 268 | H | 95.1 | Very high | 95.7 | Very high | 122 Ų | 122 | 75.2 Ų | 75.2 | 57% | 0.565 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -68 | 144.6 | 175.8 | -74.1 | -144.2 | 0 | 0 | 0 | 110.2 | F266 | F266-H268 PolarHBondContact O-N 3.12Š|
| 269 | P | 97.1 | Very high | 95.6 | Very high | 28 Ų | 28 | 75.6 Ų | 75.6 | 18% | 0.182 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -65 | 138.6 | 176.5 | 27.4 | -32.3 | 0 | 0 | 0 | 110.2 | M244 V261 D273 V275 | M244-P269 HydrophobicContact CE-CG 4.33Å; M244-P269 HydrophobicContact SD-CG 4.15Å; V261-P269 HydrophobicContact CG1-CG 3.99Å; P269-D273 HydrophobicContact CB-CB 3.94Å; P269-V275 HydrophobicContact CB-CG1 3.93Å; P269-V275 HydrophobicContact CG-CG1 3.92Å |
| 270 | T | 97.6 | Very high | 95.4 | Very high | 68 Ų | 68 | 76.1 Ų | 76.1 | 42% | 0.417 | 37% | 0.366 | S | S | . | . | trans | -89.2 | 174.9 | 170.8 | 67.6 | 0 | 0 | 0 | 0 | 110.4 | H189 R272 D273 | H189-T270 PolarHBondContact CE1-O 2.87Å; H189-T270 PolarHBondContact NE2-O 3.2Å; T270-R272 PolarHBondContact O-N 2.9Å; T270-R272 PolarHBondContact OG1-N 2.68Å; T270-D273 WeakPolarHBondContact CB-OD2 3.17Å; T270-D273 PolarHBondContact N-OD2 3.05Å; T270-D273 PolarHBondContact O-N 3Å; T270-D273 VanDerWaalsContact O-N 3.09Å; T270-D273 PolarHBondContact OG1-OD2 3.15Å | ||
| 271 | E | 96.3 | Very high | 95.1 | Very high | 128 Ų | 128 | 73.1 Ų | 73.1 | 60% | 0.598 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -10.2 | 173.1 | -61.5 | 177.6 | 169.9 | 0 | 0 | 113.8 | A193 | A193-E271 WeakPolarHBondContact CA-O 3.48Å; A193-E271 WeakPolarHBondContact CB-O 3.48Å; A193-E271 PolarHBondContact N-O 2.83Å |
| 272 | R | 97.7 | Very high | 94.9 | Very high | 101 Ų | 101 | 77.7 Ų | 77.7 | 38% | 0.381 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -4.4 | 178.3 | -62.4 | 172.8 | 173.5 | 81.7 | 5.4 | 113.1 | T196 D200 K237 T270 | T196-R272 HydrophobicContact CG2-CG 3.99Å; D200-R272 IonicContact OD1-CZ 2.96Å; D200-R272 IonicContact OD1-NE 3.46Å; D200-R272 IonicContact OD1-NH2 3.71Å; D200-R272 PolarHBondContact OD1-NH2 3.3Å; D200-R272 WeakPolarHBondContact OD2-CD 3.28Å; D200-R272 IonicContact OD2-CZ 3.57Å; D200-R272 IonicContact OD2-NE 3.32Å; D200-R272 PolarHBondContact OD2-NE 3.39Å; D200-R272 IonicContact OD2-NH2 3.88Å; K237-R272 VanDerWaalsContact CE-O 3.29Å; K237-R272 WeakPolarHBondContact CE-O 3.44Å; T270-R272 PolarHBondContact O-N 2.9Å; T270-R272 PolarHBondContact OG1-N 2.68Å |
| 273 | D | 98.3 | Very high | 94.7 | Very high | 26 Ų | 26 | 75.1 Ų | 75.1 | 14% | 0.139 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -98.6 | 157.7 | -178.2 | -60.6 | -50.7 | 0 | 0 | 0 | 110.2 | H189 K237 P269 T270 | H189-D273 PolarHBondContact CD2-O 3.3Å; H189-D273 PolarHBondContact NE2-O 2.94Å; K237-D273 IonicContact NZ-OD1 3.14Å; K237-D273 PolarHBondContact NZ-OD1 3.14Å; P269-D273 HydrophobicContact CB-CB 3.94Å; T270-D273 WeakPolarHBondContact CB-OD2 3.17Å; T270-D273 PolarHBondContact N-OD2 3.05Å; T270-D273 PolarHBondContact O-N 3Å; T270-D273 VanDerWaalsContact O-N 3.09Å; T270-D273 PolarHBondContact OG1-OD2 3.15Å |
| 274 | L | 98.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 36% | 0.356 | C | S | . | . | trans | -94.2 | 144.4 | 175.2 | -61.8 | -176.7 | 0 | 0 | 0 | 110.3 | A113 F114 A117 N190 A193 K237 A241 S242 | A113-L274 HydrophobicContact CB-CB 4.3Å; F114-L274 HydrophobicContact CB-CD1 4.28Å; F114-L274 HydrophobicContact CD2-CD1 4.44Å; A117-L274 HydrophobicContact CB-CD2 3.57Å; N190-L274 HydrophobicContact CB-CD2 4.21Å; N190-L274 WeakPolarHBondContact OD1-CA 3.49Å; A193-L274 HydrophobicContact CB-CD2 3.92Å; K237-L274 HydrophobicContact CB-CD1 4.21Å; K237-L274 HydrophobicContact CB-CG 4.03Å; A241-L274 CarbonylContact C-O 3.54Å; A241-L274 VanDerWaalsContact CA-O 3.32Å; A241-L274 WeakPolarHBondContact CA-O 3.37Å; A241-L274 HydrophobicContact CB-CB 3.94Å; S242-L274 PolarHBondContact N-O 3.41Å | ||
| 275 | V | 98.4 | Very high | 94.7 | Very high | 2 Ų | 2 | 70.7 Ų | 70.7 | 1% | 0.012 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 144.5 | 179.1 | -60 | 0 | 0 | 0 | 0 | 111.8 | A113 M186 H189 N190 S242 M244 L259 P269 | A113-V275 WeakPolarHBondContact CB-O 3.29Å; M186-V275 HydrophobicContact CG-CG2 4.09Å; M186-V275 VanDerWaalsContact CG-O 3.29Å; M186-V275 WeakPolarHBondContact CG-O 3.41Å; H189-V275 HydrophobicContact CB-CG2 4Å; H189-V275 VanDerWaalsContact CD2-CG2 3.42Å; H189-V275 WeakPolarHBondContact CD2-CG2 3.38Å; H189-V275 WeakPolarHBondContact NE2-CG1 3.31Å; N190-V275 PolarHBondContact ND2-O 3.47Å; N190-V275 PolarHBondContact OD1-N 2.97Å; N190-V275 PolarHBondContact OD1-O 3.16Å; S242-V275 WeakPolarHBondContact O-CA 3.32Å; M244-V275 HydrophobicContact CG-CB 3.76Å; M244-V275 HydrophobicContact CG-CG1 4.16Å; M244-V275 HydrophobicContact SD-CB 4.33Å; M244-V275 HydrophobicContact SD-CG1 4.06Å; L259-V275 HydrophobicContact CD1-CG2 4.37Å; P269-V275 HydrophobicContact CB-CG1 3.93Å; P269-V275 HydrophobicContact CG-CG1 3.92Å |
| 276 | Y | 97.9 | Very high | 94.5 | Very high | 21 Ų | 21 | 67.6 Ų | 67.6 | 8% | 0.082 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 162.4 | 175.6 | 73.6 | -82.3 | 0 | 0 | 0 | 110.1 | R110 A241 S242 E243 M244 E278 | R110-Y276 HydrophobicContact CB-CD1 4.13Å; R110-Y276 HydrophobicContact CB-CD2 4.46Å; R110-Y276 HydrophobicContact CB-CE1 4.34Å; R110-Y276 HydrophobicContact CB-CG 4.18Å; R110-Y276 HydrophobicContact CG-CD1 4.14Å; R110-Y276 HydrophobicContact CG-CE1 4.24Å; R110-Y276 PolarHBondContact NH2-OH 2.97Å; A241-Y276 HydrophobicContact CB-CD1 3.94Å; A241-Y276 HydrophobicContact CB-CE1 4.09Å; S242-Y276 PolarHBondContact O-N 3.46Å; E243-Y276 CarbonylContact C-O 3.52Å; E243-Y276 WeakPolarHBondContact CA-O 3.46Å; E243-Y276 HydrophobicContact CB-CE1 4.16Å; E243-Y276 HydrophobicContact CB-CE2 4.15Å; E243-Y276 HydrophobicContact CG-CD2 4.41Å; E243-Y276 HydrophobicContact CG-CE2 3.82Å; M244-Y276 PolarHBondContact N-O 2.88Å; Y276-E278 WeakPolarHBondContact CD2-O 3.48Å |
| 277 | Y | 97.3 | Very high | 94.1 | Very high | 51 Ų | 51 | 64.1 Ų | 64.1 | 20% | 0.2 | 33% | 0.334 | C | S | . | . | trans | -136.4 | -1.3 | 179.7 | 65.5 | -99.5 | 0 | 0 | 0 | 114.8 | A108 A182 M186 M244 V246 L259 | A108-Y277 HydrophobicContact CB-CD1 3.68Å; A108-Y277 HydrophobicContact CB-CD2 3.96Å; A108-Y277 HydrophobicContact CB-CE1 3.26Å; A108-Y277 HydrophobicContact CB-CE2 3.55Å; A108-Y277 HydrophobicContact CB-CG 4.01Å; A108-Y277 PolarHBondContact O-N 3.45Å; A182-Y277 HydrophobicContact CB-CE1 3.94Å; M186-Y277 HydrophobicContact CB-CD1 4.42Å; M186-Y277 HydrophobicContact CB-CE1 4.21Å; M186-Y277 HydrophobicContact SD-CD1 4.17Å; M186-Y277 HydrophobicContact SD-CE1 4.19Å; M244-Y277 WeakPolarHBondContact O-CB 3.42Å; V246-Y277 HydrophobicContact CG2-CD1 4.42Å; V246-Y277 HydrophobicContact CG2-CD2 3.75Å; V246-Y277 HydrophobicContact CG2-CE2 4.03Å; V246-Y277 HydrophobicContact CG2-CG 3.99Å; L259-Y277 HydrophobicContact CD2-CD1 3.71Å; L259-Y277 HydrophobicContact CD2-CE1 4.26Å; L259-Y277 HydrophobicContact CD2-CG 4.32Å | ||
| 278 | E | 95.1 | Very high | 93.4 | Very high | 76 Ų | 76 | 60.5 Ų | 60.5 | 36% | 0.355 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -117.5 | 140.1 | 173.1 | -66.9 | -177 | 145.1 | 0 | 0 | 111.3 | K107 A108 Y276 | K107-E278 WeakPolarHBondContact CA-OE2 3.36Å; K107-E278 WeakPolarHBondContact CB-OE2 3.36Å; A108-E278 HydrophobicContact CB-CB 4.31Å; A108-E278 HydrophobicContact CB-CG 4.05Å; A108-E278 PolarHBondContact N-OE2 3.39Å; A108-E278 PolarHBondContact O-N 3.26Å; Y276-E278 WeakPolarHBondContact CD2-O 3.48Å |
| 279 | G | 92.9 | Very high | 92.5 | Very high | 58 Ų | 58 | 62.5 Ų | 62.5 | 60% | 0.598 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 138 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 280 | S | 91.6 | Very high | 91.3 | Very high | 50 Ų | 50 | 62.7 Ų | 62.7 | 35% | 0.35 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 136.5 | 175.6 | -56.9 | 0 | 0 | 0 | 0 | 110.5 | E111 | E111-S280 PolarHBondContact OE1-OG 2.75Å; E111-S280 VanDerWaalsContact OE2-CB 3.3Å; E111-S280 WeakPolarHBondContact OE2-CB 3.42Å; E111-S280 PolarHBondContact OE2-OG 2.92Å |
| 281 | P | 90.7 | Very high | 90.1 | Very high | 29 Ų | 29 | 61.1 Ų | 61.1 | 19% | 0.188 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 166.6 | 177.7 | 30.4 | -35.3 | 0 | 0 | 0 | 111.2 | F283 T290 | P281-F283 HydrophobicContact CG-CD1 4.29Å; P281-F283 HydrophobicContact CG-CE1 3.68Å; P281-F283 HydrophobicContact CG-CZ 3.85Å; P281-F283 WeakPolarHBondContact O-CD2 3.5Å; P281-F283 PolarHBondContact O-N 3.48Å; P281-T290 HydrophobicContact CB-CG2 3.58Å; P281-T290 HydrophobicContact CG-CG2 3.93Å |
| 282 | N | 90.1 | Very high | 89.4 | Confident | 109 Ų | 109 | 55.4 Ų | 55.4 | 58% | 0.583 | 31% | 0.313 | S | S | * | . | P | Polyproline II helix | trans | -72.4 | 118.8 | 168.9 | -171.2 | -14.9 | 0 | 0 | 0 | 109.9 | C284 | N282-C284 WeakPolarHBondContact OD1-CB 3.38Å; N282-C284 PolarHBondContact OD1-N 3.37Å; N282-C284 PolarHBondContact OD1-SG 2.84Å |
| 283 | F | 92 | Very high | 88.8 | Confident | 23 Ų | 23 | 57.5 Ų | 57.5 | 10% | 0.101 | 33% | 0.325 | C | S | . | . | trans | -91.6 | 7.9 | 179.3 | -57.8 | -71.2 | 0 | 0 | 0 | 114.3 | R88 W89 E111 P281 S292 G294 | R88-F283 HydrophobicContact CB-CB 3.81Å; W89-F283 HydrophobicContact CB-CB 4.49Å; W89-F283 HydrophobicContact CB-CD1 3.87Å; W89-F283 HydrophobicContact CB-CD2 3.83Å; W89-F283 HydrophobicContact CB-CE1 3.92Å; W89-F283 HydrophobicContact CB-CE2 3.89Å; W89-F283 HydrophobicContact CB-CG 3.82Å; W89-F283 HydrophobicContact CB-CZ 3.93Å; W89-F283 AromaticContact CD1-CE1 3.71Å; W89-F283 HydrophobicContact CG-CD1 4.31Å; W89-F283 HydrophobicContact CG-CE1 4.01Å; W89-F283 HydrophobicContact CG-CZ 4.13Å; E111-F283 HydrophobicContact CG-CE2 4.39Å; E111-F283 HydrophobicContact CG-CZ 4.12Å; P281-F283 HydrophobicContact CG-CD1 4.29Å; P281-F283 HydrophobicContact CG-CE1 3.68Å; P281-F283 HydrophobicContact CG-CZ 3.85Å; P281-F283 WeakPolarHBondContact O-CD2 3.5Å; P281-F283 PolarHBondContact O-N 3.48Å; F283-S292 WeakPolarHBondContact CA-OG 3.39Å; F283-S292 PolarHBondContact O-OG 3.02Å; F283-G294 WeakPolarHBondContact O-CA 3.5Å | ||
| 284 | C | 93.1 | Very high | 88.4 | Confident | 9 Ų | 9 | 56.7 Ų | 56.7 | 6% | 0.061 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -68.5 | -43.8 | -178.1 | -72.9 | 0 | 0 | 0 | 0 | 113 | N282 G294 T295 C315 R317 | N282-C284 WeakPolarHBondContact OD1-CB 3.38Å; N282-C284 PolarHBondContact OD1-N 3.37Å; N282-C284 PolarHBondContact OD1-SG 2.84Å; C284-G294 WeakPolarHBondContact O-CA 3.43Å; C284-T295 PolarHBondContact O-N 2.98Å; C284-T295 PolarHBondContact O-OG1 3.5Å; C284-C315 VanDerWaalsContact CA-SG 3.55Å; C284-C315 HydrophobicContact CB-CB 3.7Å; C284-C315 WeakPolarHBondContact CB-SG 3.03Å; C284-C315 WeakPolarHBondContact SG-CB 3.05Å; C284-C315 CovalentContact SG-SG 2.02Å; C284-C315 PolarHBondContact SG-SG 3.49Å; C284-R317 PolarHBondContact O-NH1 3.32Å; C284-R317 VanDerWaalsContact O-NH1 3.17Å |
| 285 | E | 91.9 | Very high | 88.2 | Confident | 101 Ų | 101 | 56.8 Ų | 56.8 | 47% | 0.472 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -108.3 | 149.1 | -175.5 | -63.3 | -53.2 | 137.3 | 0 | 0 | 110.6 | N287 S292 R317 | E285-N287 PolarHBondContact O-N 3.41Å; E285-S292 PolarHBondContact O-OG 3.25Å; E285-R317 IonicContact OE1-CZ 3.37Å; E285-R317 IonicContact OE1-NE 3.58Å; E285-R317 IonicContact OE1-NH1 3.51Å; E285-R317 PolarHBondContact OE1-NH1 3.4Å |
| 286 | P | 87.6 | Confident | 88 | Confident | 88 Ų | 88 | 64.6 Ų | 64.6 | 57% | 0.571 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 127 | 175.8 | 26.5 | -33 | 0 | 0 | 0 | 110.2 | S292 | P286-S292 CarbonylContact C-O 3.53Å; P286-S292 WeakPolarHBondContact CA-O 3.28Å |
| 287 | N | 83.1 | Confident | 87.8 | Confident | 55 Ų | 55 | 68.5 Ų | 68.5 | 29% | 0.294 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 107.1 | 176.2 | -178.1 | -13.6 | 0 | 0 | 0 | 109.8 | E285 E289 T290 G291 S292 | E285-N287 PolarHBondContact O-N 3.41Å; N287-E289 VanDerWaalsContact C-N 3.28Å; N287-E289 PolarHBondContact O-N 2.85Å; N287-E289 WeakPolarHBondContact OD1-CB 3.22Å; N287-E289 PolarHBondContact OD1-N 2.81Å; N287-T290 WeakPolarHBondContact CB-OG1 3.49Å; N287-T290 PolarHBondContact O-N 3.04Å; N287-T290 PolarHBondContact O-OG1 3.33Å; N287-G291 CarbonylContact O-C 3.6Å; N287-G291 PolarHBondContact O-N 3.45Å; N287-S292 PolarHBondContact N-O 3.5Å; N287-S292 PolarHBondContact O-N 2.95Å |
| 288 | P | 78.4 | Confident | 87.6 | Confident | 126 Ų | 126 | 67.8 Ų | 67.8 | 82% | 0.818 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -31.5 | 178.1 | -24.2 | 34.6 | 0 | 0 | 0 | 114.2 | T290 G291 | P288-T290 VanDerWaalsContact C-N 3.29Å; P288-T290 PolarHBondContact O-N 3.15Å; P288-G291 PolarHBondContact O-N 3.06Å |
| 289 | E | 75.9 | Confident | 87.5 | Confident | 164 Ų | 164 | 68.6 Ų | 68.6 | 77% | 0.766 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -28.1 | -178.8 | -57.8 | -177.9 | 168.4 | 0 | 0 | 112.6 | N287 | N287-E289 VanDerWaalsContact C-N 3.28Å; N287-E289 PolarHBondContact O-N 2.85Å; N287-E289 WeakPolarHBondContact OD1-CB 3.22Å; N287-E289 PolarHBondContact OD1-N 2.81Å |
| 290 | T | 72.6 | Confident | 87.6 | Confident | 32 Ų | 32 | 66.2 Ų | 66.2 | 20% | 0.196 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -3.1 | 176.4 | 62.9 | 0 | 0 | 0 | 0 | 112.5 | P281 N287 P288 S292 | P281-T290 HydrophobicContact CB-CG2 3.58Å; P281-T290 HydrophobicContact CG-CG2 3.93Å; N287-T290 WeakPolarHBondContact CB-OG1 3.49Å; N287-T290 PolarHBondContact O-N 3.04Å; N287-T290 PolarHBondContact O-OG1 3.33Å; P288-T290 VanDerWaalsContact C-N 3.29Å; P288-T290 PolarHBondContact O-N 3.15Å; T290-S292 PolarHBondContact O-N 2.93Å; T290-S292 PolarHBondContact OG1-N 3.2Å |
| 291 | G | 72.9 | Confident | 87.7 | Confident | 34 Ų | 34 | 67.2 Ų | 67.2 | 35% | 0.351 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.2 | 12.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | T93 N287 P288 | T93-G291 WeakPolarHBondContact CG2-O 3.45Å; N287-G291 CarbonylContact O-C 3.6Å; N287-G291 PolarHBondContact O-N 3.45Å; P288-G291 PolarHBondContact O-N 3.06Å |
| 292 | S | 81.8 | Confident | 87.9 | Confident | 8 Ų | 8 | 69.1 Ų | 69.1 | 6% | 0.056 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 129.9 | 178 | -172.7 | 0 | 0 | 0 | 0 | 111.2 | F283 E285 P286 N287 T290 G294 | F283-S292 WeakPolarHBondContact CA-OG 3.39Å; F283-S292 PolarHBondContact O-OG 3.02Å; E285-S292 PolarHBondContact O-OG 3.25Å; P286-S292 CarbonylContact C-O 3.53Å; P286-S292 WeakPolarHBondContact CA-O 3.28Å; N287-S292 PolarHBondContact N-O 3.5Å; N287-S292 PolarHBondContact O-N 2.95Å; T290-S292 PolarHBondContact O-N 2.93Å; T290-S292 PolarHBondContact OG1-N 3.2Å; S292-G294 VanDerWaalsContact C-N 3.3Å; S292-G294 PolarHBondContact OG-N 3.21Å |
| 293 | F | 84.6 | Confident | 88 | Confident | 146 Ų | 146 | 68.8 Ų | 68.8 | 64% | 0.64 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.1 | -5.9 | 170 | -69.5 | -70.9 | 0 | 0 | 0 | 113.4 | T93 | T93-F293 HydrophobicContact CG2-CD2 3.51Å; T93-F293 HydrophobicContact CG2-CE2 3.47Å; T93-F293 VanDerWaalsContact CG2-CE2 3.47Å |
| 294 | G | 90 | Very high | 88.1 | Confident | 9 Ų | 9 | 69.2 Ų | 69.2 | 9% | 0.093 | 38% | 0.381 | C | S | . | . | trans | 73.2 | -172.8 | -167.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | F283 C284 S292 | F283-G294 WeakPolarHBondContact O-CA 3.5Å; C284-G294 WeakPolarHBondContact O-CA 3.43Å; S292-G294 VanDerWaalsContact C-N 3.3Å; S292-G294 PolarHBondContact OG-N 3.21Å | ||
| 295 | T | 94.1 | Very high | 88 | Confident | 1 Ų | 1 | 76.6 Ų | 76.6 | 1% | 0.006 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -115.1 | -0.4 | -173.2 | 47.2 | 0 | 0 | 0 | 0 | 113.9 | R88 C284 R298 L313 R317 C354 | R88-T295 HydrophobicContact CB-CG2 3.86Å; R88-T295 HydrophobicContact CG-CG2 3.91Å; C284-T295 PolarHBondContact O-N 2.98Å; C284-T295 PolarHBondContact O-OG1 3.5Å; T295-R298 VanDerWaalsContact O-CB 3.29Å; T295-R298 WeakPolarHBondContact O-CB 3.36Å; T295-R298 WeakPolarHBondContact O-CG 3.46Å; T295-R298 PolarHBondContact O-N 3Å; T295-L313 WeakPolarHBondContact CB-O 3.3Å; T295-L313 HydrophobicContact CG2-CD1 4.49Å; T295-L313 VanDerWaalsContact CG2-O 3.23Å; T295-L313 WeakPolarHBondContact CG2-O 3.36Å; T295-L313 PolarHBondContact OG1-O 3.45Å; T295-R317 PolarHBondContact OG1-NH1 2.72Å; T295-R317 PolarHBondContact OG1-NH2 3.44Å; T295-C354 WeakPolarHBondContact O-CB 3.27Å |
| 296 | R | 94.1 | Very high | 87.9 | Confident | 167 Ų | 167 | 73.3 Ų | 73.3 | 63% | 0.63 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 143.4 | 178.3 | 179.6 | 168.4 | 173.3 | 173 | 4.8 | 111.4 | R298 K355 | R296-R298 PolarHBondContact O-N 3.19Å; R296-K355 WeakPolarHBondContact CD-OXT 3.39Å; R296-K355 WeakPolarHBondContact CG-OXT 3.38Å |
| 297 | D | 93.4 | Very high | 88 | Confident | 103 Ų | 103 | 72.3 Ų | 72.3 | 55% | 0.551 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 7.1 | -178.8 | -58.5 | -48.7 | 0 | 0 | 0 | 115.5 | C354 | D297-C354 PolarHBondContact N-O 2.73Š|
| 298 | R | 93 | Very high | 88.3 | Confident | 35 Ų | 35 | 73.8 Ų | 73.8 | 13% | 0.132 | 40% | 0.401 | C | S | . | . | trans | -76.4 | 138.2 | 174.5 | -67.5 | -167.8 | 60.7 | -172.1 | -7.6 | 111.6 | R85 R87 R88 T295 R296 C300 L313 T353 C354 | R85-R298 PolarHBondContact O-NH2 2.81Å; R87-R298 PolarHBondContact O-NH1 3.26Å; R87-R298 PolarHBondContact O-NH2 2.94Å; R88-R298 PolarHBondContact O-NH1 3.46Å; T295-R298 VanDerWaalsContact O-CB 3.29Å; T295-R298 WeakPolarHBondContact O-CB 3.36Å; T295-R298 WeakPolarHBondContact O-CG 3.46Å; T295-R298 PolarHBondContact O-N 3Å; R296-R298 PolarHBondContact O-N 3.19Å; R298-C300 PolarHBondContact O-N 3.37Å; R298-L313 HydrophobicContact CB-CD2 4.5Å; R298-T353 CarbonylContact O-C 3.31Å; R298-T353 VanDerWaalsContact O-CA 3.23Å; R298-T353 WeakPolarHBondContact O-CA 3.28Å; R298-C354 PolarHBondContact O-N 3.43Å | ||
| 299 | V | 93.9 | Very high | 89.1 | Confident | 93 Ų | 93 | 67.8 Ų | 67.8 | 56% | 0.564 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 130.8 | 174 | -177.8 | 0 | 0 | 0 | 0 | 109.5 | L313 V351 H352 T353 | V299-L313 WeakPolarHBondContact O-CD2 3.18Å; V299-V351 HydrophobicContact CG1-CG1 4.22Å; V299-V351 HydrophobicContact CG2-CG1 4.12Å; V299-H352 CarbonylContact C-O 3.5Å; V299-H352 VanDerWaalsContact CA-O 3.27Å; V299-H352 WeakPolarHBondContact CA-O 3.22Å; V299-T353 HydrophobicContact CG2-CG2 4.16Å |
| 300 | C | 94.8 | Very high | 90 | Very high | 9 Ų | 9 | 60.3 Ų | 60.3 | 6% | 0.061 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 158.3 | 178.9 | 67.8 | 0 | 0 | 0 | 0 | 111.2 | R298 C310 L313 H352 | R298-C300 PolarHBondContact O-N 3.37Å; C300-C310 VanDerWaalsContact C-SG 3.56Å; C300-C310 HydrophobicContact CB-CB 3.85Å; C300-C310 WeakPolarHBondContact CB-SG 3.48Å; C300-C310 VanDerWaalsContact SG-CA 3.58Å; C300-C310 WeakPolarHBondContact SG-CB 3.32Å; C300-C310 CovalentContact SG-SG 2.04Å; C300-C310 PolarHBondContact SG-SG 3.38Å; C300-L313 HydrophobicContact CB-CB 4.48Å; C300-L313 HydrophobicContact CB-CD2 3.91Å; C300-H352 PolarHBondContact N-O 3.35Å |
| 301 | N | 94.6 | Very high | 91 | Very high | 71 Ų | 71 | 64.2 Ų | 64.2 | 38% | 0.38 | 35% | 0.348 | S | S | . | . | B | Isolated β-bridge | trans | -102.3 | 112.7 | 179.8 | -174.5 | -12.5 | 0 | 0 | 0 | 110.8 | S303 S304 E308 G309 C310 | N301-S303 VanDerWaalsContact C-N 3.27Å; N301-S303 PolarHBondContact O-N 3.43Å; N301-S303 WeakPolarHBondContact OD1-CB 3.22Å; N301-S303 PolarHBondContact OD1-N 3.36Å; N301-S304 PolarHBondContact O-N 3.24Å; N301-E308 PolarHBondContact N-O 3.35Å; N301-G309 VanDerWaalsContact O-CA 3.31Å; N301-G309 WeakPolarHBondContact O-CA 3.34Å; N301-C310 PolarHBondContact O-N 3.08Å |
| 302 | V | 93.9 | Very high | 92 | Very high | 68 Ų | 68 | 66.2 Ų | 66.2 | 41% | 0.412 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -22.6 | 178.9 | -68.9 | 0 | 0 | 0 | 0 | 113.8 | S304 C310 H352 | V302-S304 VanDerWaalsContact C-N 3.35Å; V302-C310 VanDerWaalsContact CG1-SG 3.56Å; V302-H352 HydrophobicContact CG1-CB 4.02Å; V302-H352 WeakPolarHBondContact CG1-CD2 3.49Å; V302-H352 VanDerWaalsContact CG1-CG 3.43Å; V302-H352 WeakPolarHBondContact CG2-NE2 3.43Å |
| 303 | S | 92.8 | Very high | 92.7 | Very high | 103 Ų | 103 | 65.9 Ų | 65.9 | 72% | 0.72 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -12.2 | 179.5 | -56.5 | 0 | 0 | 0 | 0 | 112.8 | N301 | N301-S303 VanDerWaalsContact C-N 3.27Å; N301-S303 PolarHBondContact O-N 3.43Å; N301-S303 WeakPolarHBondContact OD1-CB 3.22Å; N301-S303 PolarHBondContact OD1-N 3.36Å |
| 304 | S | 93.1 | Very high | 93.2 | Very high | 32 Ų | 32 | 59 Ų | 59 | 22% | 0.224 | 32% | 0.318 | C | S | . | . | trans | -97.9 | 130.1 | -178.5 | -175.8 | 0 | 0 | 0 | 0 | 110.5 | N301 V302 G306 G309 | N301-S304 PolarHBondContact O-N 3.24Å; V302-S304 VanDerWaalsContact C-N 3.35Å; S304-G306 VanDerWaalsContact C-N 3.33Å; S304-G306 PolarHBondContact OG-N 3.26Å; S304-G309 WeakPolarHBondContact O-CA 3.47Å | ||
| 305 | H | 90.9 | Very high | 93.4 | Very high | 163 Ų | 163 | 60.3 Ų | 60.3 | 76% | 0.755 | 33% | 0.326 | S | S | * | . | trans | -91.3 | 1.3 | 167.8 | -61.4 | -69.6 | 0 | 0 | 0 | 112.6 | ||||
| 306 | G | 90.9 | Very high | 93.4 | Very high | 32 Ų | 32 | 63.5 Ų | 63.5 | 33% | 0.33 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -84.6 | -166.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | S304 E308 G309 L312 | S304-G306 VanDerWaalsContact C-N 3.33Å; S304-G306 PolarHBondContact OG-N 3.26Å; G306-E308 PolarHBondContact O-N 3.4Å; G306-G309 WeakPolarHBondContact O-CA 3.46Å; G306-G309 PolarHBondContact O-N 3.06Å; G306-L312 WeakPolarHBondContact O-CD1 3.45Å |
| 307 | I | 88.9 | Confident | 93.5 | Very high | 68 Ų | 68 | 59 Ų | 59 | 35% | 0.349 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -28 | -175.2 | -58.6 | 167.8 | 0 | 0 | 0 | 112.5 | R87 G309 | R87-I307 HydrophobicContact CG-CG2 4.44Å; R87-I307 VanDerWaalsContact CZ-CD1 3.48Å; R87-I307 VanDerWaalsContact NH1-CD1 3.31Å; I307-G309 PolarHBondContact O-N 2.72Å |
| 308 | E | 90 | Very high | 93.5 | Very high | 85 Ų | 85 | 55.5 Ų | 55.5 | 40% | 0.397 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -8.5 | 174.4 | -45.4 | -165.1 | 136.7 | 0 | 0 | 112.9 | G86 N301 G306 | G86-E308 WeakPolarHBondContact CA-OE1 3.39Å; N301-E308 PolarHBondContact N-O 3.35Å; G306-E308 PolarHBondContact O-N 3.4Å |
| 309 | G | 94.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.01 | 34% | 0.337 | C | S | . | . | B | Isolated β-bridge | trans | -67 | 146.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | N301 S304 G306 I307 D311 L312 L313 | N301-G309 VanDerWaalsContact O-CA 3.31Å; N301-G309 WeakPolarHBondContact O-CA 3.34Å; S304-G309 WeakPolarHBondContact O-CA 3.47Å; G306-G309 WeakPolarHBondContact O-CA 3.46Å; G306-G309 PolarHBondContact O-N 3.06Å; I307-G309 PolarHBondContact O-N 2.72Å; G309-D311 VanDerWaalsContact C-N 3.25Å; G309-D311 PolarHBondContact O-N 3.43Å; G309-L312 PolarHBondContact O-N 2.98Å; G309-L313 WeakPolarHBondContact O-CB 3.44Å; G309-L313 PolarHBondContact O-N 3.47Å |
| 310 | C | 95.3 | Very high | 93.9 | Very high | 7 Ų | 7 | 56 Ų | 56 | 5% | 0.047 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.2 | -33.6 | -179.6 | -63.9 | 0 | 0 | 0 | 0 | 113.2 | C300 N301 V302 C314 H319 | C300-C310 VanDerWaalsContact C-SG 3.56Å; C300-C310 HydrophobicContact CB-CB 3.85Å; C300-C310 WeakPolarHBondContact CB-SG 3.48Å; C300-C310 VanDerWaalsContact SG-CA 3.58Å; C300-C310 WeakPolarHBondContact SG-CB 3.32Å; C300-C310 CovalentContact SG-SG 2.04Å; C300-C310 PolarHBondContact SG-SG 3.38Å; N301-C310 PolarHBondContact O-N 3.08Å; V302-C310 VanDerWaalsContact CG1-SG 3.56Å; C310-C314 WeakPolarHBondContact O-CB 3.01Å; C310-C314 PolarHBondContact O-N 3.09Å; C310-C314 VanDerWaalsContact O-N 3.08Å; C310-C314 PolarHBondContact O-SG 3.36Å; C310-H319 HydrophobicContact CB-CB 4.45Å |
| 311 | D | 93.8 | Very high | 93.9 | Very high | 113 Ų | 113 | 59.5 Ų | 59.5 | 60% | 0.604 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -63.9 | -46.2 | 178.9 | -61.8 | -30.1 | 0 | 0 | 0 | 112.1 | G309 C315 G316 | G309-D311 VanDerWaalsContact C-N 3.25Å; G309-D311 PolarHBondContact O-N 3.43Å; D311-C315 PolarHBondContact O-N 3.28Å; D311-G316 PolarHBondContact O-N 3.39Å |
| 312 | L | 94 | Very high | 93.9 | Very high | 76 Ų | 76 | 61.9 Ų | 61.9 | 40% | 0.398 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -83.9 | -42.6 | -177.1 | -68.2 | -178.2 | 0 | 0 | 0 | 112.4 | R88 G306 G309 C315 | R88-L312 VanDerWaalsContact CZ-O 3.25Å; R88-L312 PolarHBondContact NE-O 3.14Å; R88-L312 PolarHBondContact NH2-O 2.84Å; G306-L312 WeakPolarHBondContact O-CD1 3.45Å; G309-L312 PolarHBondContact O-N 2.98Å; L312-C315 PolarHBondContact O-N 2.02Å |
| 313 | L | 95.1 | Very high | 94 | Very high | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.01 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -67.1 | -40.1 | -179.1 | -170.5 | 63.1 | 0 | 0 | 0 | 111.3 | R88 T295 R298 V299 C300 G309 C315 | R88-L313 HydrophobicContact CG-CD1 4.12Å; T295-L313 WeakPolarHBondContact CB-O 3.3Å; T295-L313 HydrophobicContact CG2-CD1 4.49Å; T295-L313 VanDerWaalsContact CG2-O 3.23Å; T295-L313 WeakPolarHBondContact CG2-O 3.36Å; T295-L313 PolarHBondContact OG1-O 3.45Å; R298-L313 HydrophobicContact CB-CD2 4.5Å; V299-L313 WeakPolarHBondContact O-CD2 3.18Å; C300-L313 HydrophobicContact CB-CB 4.48Å; C300-L313 HydrophobicContact CB-CD2 3.91Å; G309-L313 WeakPolarHBondContact O-CB 3.44Å; G309-L313 PolarHBondContact O-N 3.47Å; L313-C315 VanDerWaalsContact C-N 3.29Å; L313-C315 PolarHBondContact O-N 3.28Å |
| 314 | C | 95.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 5.6 | -179.2 | -46 | 0 | 0 | 0 | 0 | 113.5 | C310 G316 R317 G318 C354 | C310-C314 WeakPolarHBondContact O-CB 3.01Å; C310-C314 PolarHBondContact O-N 3.09Å; C310-C314 VanDerWaalsContact O-N 3.08Å; C310-C314 PolarHBondContact O-SG 3.36Å; C314-G316 PolarHBondContact O-N 2.95Å; C314-G316 VanDerWaalsContact O-N 3.17Å; C314-R317 WeakPolarHBondContact O-CB 3.07Å; C314-R317 PolarHBondContact O-N 2.89Å; C314-G318 WeakPolarHBondContact CB-O 3.06Å; C314-C354 WeakPolarHBondContact CA-SG 3Å; C314-C354 HydrophobicContact CB-CB 3.54Å; C314-C354 WeakPolarHBondContact CB-SG 3.42Å; C314-C354 WeakPolarHBondContact SG-CA 3.47Å; C314-C354 WeakPolarHBondContact SG-CB 3.4Å; C314-C354 CovalentContact SG-SG 2.03Å; C314-C354 PolarHBondContact SG-SG 3.08Å |
| 315 | C | 95.2 | Very high | 94.2 | Very high | 38 Ų | 38 | 66.8 Ų | 66.8 | 26% | 0.257 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 37.2 | 174.6 | -51.2 | 0 | 0 | 0 | 0 | 113.9 | R88 C284 D311 L312 L313 R317 | R88-C315 PolarHBondContact NE-SG 2.97Å; C284-C315 VanDerWaalsContact CA-SG 3.55Å; C284-C315 HydrophobicContact CB-CB 3.7Å; C284-C315 WeakPolarHBondContact CB-SG 3.03Å; C284-C315 WeakPolarHBondContact SG-CB 3.05Å; C284-C315 CovalentContact SG-SG 2.02Å; C284-C315 PolarHBondContact SG-SG 3.49Å; D311-C315 PolarHBondContact O-N 3.28Å; L312-C315 PolarHBondContact O-N 2.02Å; L313-C315 VanDerWaalsContact C-N 3.29Å; L313-C315 PolarHBondContact O-N 3.28Å; C315-R317 VanDerWaalsContact C-N 3.28Å; C315-R317 PolarHBondContact O-N 3.36Å |
| 316 | G | 93.8 | Very high | 94.4 | Very high | 67 Ų | 67 | 64.6 Ų | 64.6 | 69% | 0.691 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.3 | 1.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | D311 C314 G318 | D311-G316 PolarHBondContact O-N 3.39Å; C314-G316 PolarHBondContact O-N 2.95Å; C314-G316 VanDerWaalsContact O-N 3.17Å; G316-G318 PolarHBondContact O-N 3.27Å |
| 317 | R | 95.1 | Very high | 94.7 | Very high | 74 Ų | 74 | 70.7 Ų | 70.7 | 28% | 0.279 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -72.9 | -9.3 | 177.4 | -59 | -169.1 | -57 | -87.2 | -13.4 | 113.7 | C284 E285 T295 C314 C315 K355 | C284-R317 PolarHBondContact O-NH1 3.32Å; C284-R317 VanDerWaalsContact O-NH1 3.17Å; E285-R317 IonicContact OE1-CZ 3.37Å; E285-R317 IonicContact OE1-NE 3.58Å; E285-R317 IonicContact OE1-NH1 3.51Å; E285-R317 PolarHBondContact OE1-NH1 3.4Å; T295-R317 PolarHBondContact OG1-NH1 2.72Å; T295-R317 PolarHBondContact OG1-NH2 3.44Å; C314-R317 WeakPolarHBondContact O-CB 3.07Å; C314-R317 PolarHBondContact O-N 2.89Å; C315-R317 VanDerWaalsContact C-N 3.28Å; C315-R317 PolarHBondContact O-N 3.36Å; R317-K355 HydrophobicContact CB-CB 4.49Å; R317-K355 PolarHBondContact NE-O 3.4Å; R317-K355 PolarHBondContact NH2-O 3.07Å; R317-K355 VanDerWaalsContact NH2-O 3.12Å |
| 318 | G | 94.7 | Very high | 95 | Very high | 29 Ų | 29 | 70 Ų | 70 | 30% | 0.299 | 36% | 0.359 | S | S | . | . | trans | 78 | -175.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | C314 G316 K355 | C314-G318 WeakPolarHBondContact CB-O 3.06Å; G316-G318 PolarHBondContact O-N 3.27Å; G318-K355 PolarHBondContact O-N 3.08Å | ||
| 319 | H | 96.9 | Very high | 95.3 | Very high | 62 Ų | 62 | 71.8 Ų | 71.8 | 29% | 0.287 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 154.6 | -177.8 | 61.7 | 86.6 | 0 | 0 | 0 | 111.5 | C310 H352 T353 K355 | C310-H319 HydrophobicContact CB-CB 4.45Å; H319-H352 AromaticContact CE1-ND1 3.79Å; H319-H352 AromaticContact ND1-ND1 3.74Å; H319-T353 CarbonylContact C-O 3.53Å; H319-T353 VanDerWaalsContact CA-O 3.29Å; H319-T353 WeakPolarHBondContact CA-O 3.34Å; H319-T353 WeakPolarHBondContact CB-O 3.41Å; H319-K355 WeakPolarHBondContact O-CE 3.36Å |
| 320 | N | 96.6 | Very high | 95.4 | Very high | 77 Ų | 77 | 72.2 Ų | 72.2 | 41% | 0.412 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 154.8 | 165.6 | -64.5 | -36.2 | 0 | 0 | 0 | 109.1 | H352 T353 K355 | N320-H352 CarbonylContact O-C 3.45Å; N320-H352 VanDerWaalsContact O-CA 3.25Å; N320-H352 WeakPolarHBondContact O-CA 3.38Å; N320-T353 PolarHBondContact N-O 3.46Å; N320-T353 PolarHBondContact O-N 3.18Å; N320-K355 WeakPolarHBondContact OD1-CE 3.41Å |
| 321 | T | 96.2 | Very high | 95.4 | Very high | 81 Ų | 81 | 78.1 Ų | 78.1 | 50% | 0.497 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 129 | 174.4 | -58.9 | 0 | 0 | 0 | 0 | 108.2 | D350 H352 | T321-D350 HydrophobicContact CG2-CB 4.22Å; T321-H352 PolarHBondContact OG1-ND1 2.03Å |
| 322 | R | 94.8 | Very high | 95.6 | Very high | 122 Ų | 122 | 76 Ų | 76 | 46% | 0.46 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 139 | 172.2 | 70.4 | 177.3 | -171.2 | -117.5 | 2.1 | 109.9 | E324 V351 | R322-E324 IonicContact CZ-OE2 3.57Å; R322-E324 IonicContact NE-OE2 3.54Å; R322-E324 IonicContact NH2-OE2 3.47Å; R322-E324 PolarHBondContact NH2-OE2 3.43Å; R322-V351 HydrophobicContact CG-CB 3.98Å; R322-V351 PolarHBondContact N-O 2.95Å; R322-V351 PolarHBondContact O-N 2.76Å |
| 323 | T | 95.7 | Very high | 95.7 | Very high | 92 Ų | 92 | 77.2 Ų | 77.2 | 56% | 0.564 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 123.5 | 174.8 | -53.8 | 0 | 0 | 0 | 0 | 109.3 | V348 D350 | T323-V348 HydrophobicContact CG2-CG1 3.13Å; T323-D350 WeakPolarHBondContact CB-OD1 3.26Å; T323-D350 PolarHBondContact OG1-OD1 2.04Å |
| 324 | E | 94.8 | Very high | 95.8 | Very high | 56 Ų | 56 | 82.8 Ų | 82.8 | 26% | 0.262 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 128.2 | -176.4 | -162.4 | 178.4 | 127.9 | 0 | 0 | 109.8 | R322 R326 Y349 V351 | R322-E324 IonicContact CZ-OE2 3.57Å; R322-E324 IonicContact NE-OE2 3.54Å; R322-E324 IonicContact NH2-OE2 3.47Å; R322-E324 PolarHBondContact NH2-OE2 3.43Å; E324-R326 IonicContact OE1-CZ 3.95Å; E324-R326 VanDerWaalsContact OE1-CZ 3.29Å; E324-R326 IonicContact OE1-NE 3.93Å; E324-R326 PolarHBondContact OE1-NE 2.93Å; E324-R326 IonicContact OE1-NH2 3.02Å; E324-R326 PolarHBondContact OE1-NH2 2.97Å; E324-R326 IonicContact OE2-NH2 2.72Å; E324-Y349 PolarHBondContact N-O 2.84Å; E324-Y349 PolarHBondContact O-N 2.88Å; E324-V351 HydrophobicContact CB-CG2 4.07Å |
| 325 | K | 95.7 | Very high | 95.8 | Very high | 157 Ų | 157 | 86.2 Ų | 86.2 | 68% | 0.683 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 120.7 | 175.7 | -63.4 | -170.6 | -178.2 | 178.1 | 0 | 109.2 | V346 R347 V348 | K325-V346 HydrophobicContact CB-CG1 3.81Å; K325-V346 HydrophobicContact CD-CG1 4.16Å; K325-V346 HydrophobicContact CG-CG1 4.31Å; K325-R347 CarbonylContact C-O 3.52Å; K325-R347 WeakPolarHBondContact CA-O 3.2Å; K325-V348 HydrophobicContact CG-CG2 4.21Å |
| 326 | R | 95.2 | Very high | 95.7 | Very high | 118 Ų | 118 | 95.5 Ų | 95.5 | 45% | 0.445 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 133.7 | 177.6 | -64.6 | -176.5 | 177.4 | 170.8 | 2.7 | 110.2 | E324 R347 Y349 | E324-R326 IonicContact OE1-CZ 3.95Å; E324-R326 VanDerWaalsContact OE1-CZ 3.29Å; E324-R326 IonicContact OE1-NE 3.93Å; E324-R326 PolarHBondContact OE1-NE 2.93Å; E324-R326 IonicContact OE1-NH2 3.02Å; E324-R326 PolarHBondContact OE1-NH2 2.97Å; E324-R326 IonicContact OE2-NH2 2.72Å; R326-R347 PolarHBondContact N-O 2.99Å; R326-R347 PolarHBondContact O-N 3.2Å; R326-Y349 HydrophobicContact CB-CD2 4.15Å; R326-Y349 HydrophobicContact CB-CE2 4.09Å; R326-Y349 HydrophobicContact CG-CD2 4.21Å |
| 327 | K | 96.3 | Very high | 95.3 | Very high | 159 Ų | 159 | 97.1 Ų | 97.1 | 69% | 0.691 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 125.2 | 169.7 | -73.2 | -175.1 | 177.5 | -170.3 | 0 | 108.5 | C345 V346 | K327-C345 WeakPolarHBondContact CA-O 3.34Å; K327-V346 HydrophobicContact CG-CG2 4.12Å |
| 328 | E | 95.9 | Very high | 95.1 | Very high | 53 Ų | 53 | 98.8 Ų | 98.8 | 25% | 0.248 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 156.3 | 175.5 | 59.7 | -179 | -131.4 | 0 | 0 | 110.6 | C345 R347 Y349 | E328-C345 PolarHBondContact N-O 2.91Å; E328-C345 PolarHBondContact O-N 3.32Å; E328-R347 HydrophobicContact CG-CG 4.18Å; E328-R347 WeakPolarHBondContact OE1-CD 3.32Å; E328-R347 IonicContact OE1-CZ 3.59Å; E328-R347 IonicContact OE1-NE 2.8Å; E328-R347 PolarHBondContact OE1-NE 3.2Å; E328-R347 VanDerWaalsContact OE1-NE 3.12Å; E328-R347 IonicContact OE1-NH1 3.9Å; E328-R347 PolarHBondContact OE1-NH1 2.85Å; E328-R347 IonicContact OE1-NH2 2.72Å; E328-Y349 PolarHBondContact OE2-OH 2.89Å |
| 329 | K | 96.4 | Very high | 95.1 | Very high | 124 Ų | 124 | 104 Ų | 104 | 54% | 0.539 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 127.3 | 172.6 | -62.7 | -54.3 | -171.9 | -176.5 | 0 | 108.5 | C342 Q343 E344 | K329-C342 HydrophobicContact CB-CB 3.81Å; K329-C342 HydrophobicContact CD-CB 4.09Å; K329-C342 HydrophobicContact CG-CB 4.24Å; K329-Q343 WeakPolarHBondContact CA-O 3.02Å; K329-E344 HydrophobicContact CD-CG 4.29Å; K329-E344 IonicContact NZ-OE1 3.29Å; K329-E344 PolarHBondContact NZ-OE1 2.89Å |
| 330 | C | 96.3 | Very high | 95.1 | Very high | 9 Ų | 9 | 105.2 Ų | 105.2 | 6% | 0.061 | 51% | 0.509 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 166.5 | -178.6 | 64.1 | 0 | 0 | 0 | 0 | 109.8 | C332 Q343 C345 | C330-C332 PolarHBondContact O-N 3.22Å; C330-C332 VanDerWaalsContact O-N 3.14Å; C330-Q343 PolarHBondContact N-O 2.95Å; C330-Q343 PolarHBondContact O-N 2.87Å; C330-Q343 PolarHBondContact SG-O 2.02Å; C330-C345 HydrophobicContact CB-CB 3.55Å; C330-C345 WeakPolarHBondContact CB-SG 3.4Å; C330-C345 WeakPolarHBondContact SG-CB 3Å; C330-C345 PolarHBondContact SG-N 3.29Å; C330-C345 CovalentContact SG-SG 2Å; C330-C345 PolarHBondContact SG-SG 2.85Å |
| 331 | H | 96.3 | Very high | 95.1 | Very high | 131 Ų | 131 | 104.4 Ų | 104.4 | 61% | 0.606 | 51% | 0.509 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 47.6 | 46.3 | 177.9 | -52.9 | 104.1 | 0 | 0 | 0 | 112.1 | I333 | H331-I333 PolarHBondContact O-N 3.12Å |
| 332 | C | 96.9 | Very high | 95.2 | Very high | 69 Ų | 69 | 102.5 Ų | 102.5 | 47% | 0.466 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 116.9 | -179 | -67.2 | 0 | 0 | 0 | 0 | 109.9 | C330 V340 S341 C342 | C330-C332 PolarHBondContact O-N 3.22Å; C330-C332 VanDerWaalsContact O-N 3.14Å; C332-V340 HydrophobicContact CB-CG1 3.83Å; C332-S341 CarbonylContact C-O 3.57Å; C332-S341 WeakPolarHBondContact CA-O 3.27Å; C332-C342 HydrophobicContact CB-CB 4.12Å; C332-C342 WeakPolarHBondContact CB-SG 3.41Å; C332-C342 WeakPolarHBondContact SG-CB 3.36Å; C332-C342 CovalentContact SG-SG 2.04Å; C332-C342 PolarHBondContact SG-SG 2.8Å |
| 333 | I | 96.8 | Very high | 95.3 | Very high | 102 Ų | 102 | 102.5 Ų | 102.5 | 52% | 0.523 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 125.5 | 176.5 | -59.8 | 172.3 | 0 | 0 | 0 | 107.9 | H331 S341 | H331-I333 PolarHBondContact O-N 3.12Å; I333-S341 PolarHBondContact N-O 3.38Å; I333-S341 PolarHBondContact O-N 3.12Å |
| 334 | F | 96.8 | Very high | 95.4 | Very high | 119 Ų | 119 | 103.9 Ų | 103.9 | 52% | 0.522 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 124.4 | 170.9 | 178.1 | -124.1 | 0 | 0 | 0 | 109.7 | W336 V340 | F334-W336 HydrophobicContact CD1-CE3 4.48Å; F334-W336 AromaticContact CE1-CE3 3.46Å; F334-W336 HydrophobicContact CE1-CE3 3.46Å; F334-W336 VanDerWaalsContact CE1-CE3 3.46Å; F334-W336 AromaticContact CE1-CZ3 3.83Å; F334-W336 HydrophobicContact CE1-CZ3 3.83Å; F334-W336 AromaticContact CZ-CE3 3.96Å; F334-W336 HydrophobicContact CZ-CE3 3.96Å; F334-W336 HydrophobicContact CZ-CZ3 4.22Å; F334-V340 HydrophobicContact CD2-CG2 3.95Å |
| 335 | H | 95.3 | Very high | 95.5 | Very high | 71 Ų | 71 | 102.7 Ų | 102.7 | 33% | 0.329 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 117.3 | 172.3 | -65.4 | -87 | 0 | 0 | 0 | 108.3 | C337 Y339 | H335-C337 PolarHBondContact O-N 3.4Å; H335-Y339 HydrophobicContact CB-CD1 4.38Å; H335-Y339 HydrophobicContact CB-CE1 4.01Å; H335-Y339 HydrophobicContact CB-CE2 4.3Å; H335-Y339 AromaticContact CD2-CE2 3.6Å; H335-Y339 AromaticContact CD2-CZ 3.93Å; H335-Y339 AromaticContact CG-CZ 3.92Å; H335-Y339 PolarHBondContact N-O 3.44Å |
| 336 | W | 93.1 | Very high | 95.5 | Very high | 233 Ų | 233 | 99.3 Ų | 99.3 | 88% | 0.883 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 115.3 | 178.2 | -170.1 | -114.8 | 0 | 0 | 0 | 109.4 | F334 | F334-W336 HydrophobicContact CD1-CE3 4.48Å; F334-W336 AromaticContact CE1-CE3 3.46Å; F334-W336 HydrophobicContact CE1-CE3 3.46Å; F334-W336 VanDerWaalsContact CE1-CE3 3.46Å; F334-W336 AromaticContact CE1-CZ3 3.83Å; F334-W336 HydrophobicContact CE1-CZ3 3.83Å; F334-W336 AromaticContact CZ-CE3 3.96Å; F334-W336 HydrophobicContact CZ-CE3 3.96Å; F334-W336 HydrophobicContact CZ-CZ3 4.22Å |
| 337 | C | 86 | Confident | 95.6 | Very high | 101 Ų | 101 | 100 Ų | 100 | 68% | 0.682 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | 80.9 | -174.8 | -157.7 | 0 | 0 | 0 | 0 | 116.7 | H335 | H335-C337 PolarHBondContact O-N 3.4Š|
| 338 | C | 89.7 | Confident | 95.5 | Very high | 109 Ų | 109 | 96.4 Ų | 96.4 | 74% | 0.736 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -153.7 | 47.1 | 1.9 | -75.6 | 0 | 0 | 0 | 0 | 110.1 | ||
| 339 | Y | 94.9 | Very high | 95.4 | Very high | 140 Ų | 140 | 97.8 Ų | 97.8 | 55% | 0.549 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 154.4 | -176.7 | 69.7 | -84.4 | 0 | 0 | 0 | 112.7 | H335 | H335-Y339 HydrophobicContact CB-CD1 4.38Å; H335-Y339 HydrophobicContact CB-CE1 4.01Å; H335-Y339 HydrophobicContact CB-CE2 4.3Å; H335-Y339 AromaticContact CD2-CE2 3.6Å; H335-Y339 AromaticContact CD2-CZ 3.93Å; H335-Y339 AromaticContact CG-CZ 3.92Å; H335-Y339 PolarHBondContact N-O 3.44Å |
| 340 | V | 97 | Very high | 95.3 | Very high | 87 Ų | 87 | 96.5 Ų | 96.5 | 53% | 0.527 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 123.8 | 172.7 | -178.3 | 0 | 0 | 0 | 0 | 107.3 | C332 F334 | C332-V340 HydrophobicContact CB-CG1 3.83Å; F334-V340 HydrophobicContact CD2-CG2 3.95Å |
| 341 | S | 96.8 | Very high | 95.3 | Very high | 59 Ų | 59 | 96.7 Ų | 96.7 | 41% | 0.413 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 120.5 | 171.3 | -173.2 | 0 | 0 | 0 | 0 | 108.6 | C332 I333 | C332-S341 CarbonylContact C-O 3.57Å; C332-S341 WeakPolarHBondContact CA-O 3.27Å; I333-S341 PolarHBondContact N-O 3.38Å; I333-S341 PolarHBondContact O-N 3.12Å |
| 342 | C | 97.8 | Very high | 95.3 | Very high | 41 Ų | 41 | 91.9 Ų | 91.9 | 28% | 0.277 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 143 | 177.3 | -59.5 | 0 | 0 | 0 | 0 | 110.2 | K329 C332 | K329-C342 HydrophobicContact CB-CB 3.81Å; K329-C342 HydrophobicContact CD-CB 4.09Å; K329-C342 HydrophobicContact CG-CB 4.24Å; C332-C342 HydrophobicContact CB-CB 4.12Å; C332-C342 WeakPolarHBondContact CB-SG 3.41Å; C332-C342 WeakPolarHBondContact SG-CB 3.36Å; C332-C342 CovalentContact SG-SG 2.04Å; C332-C342 PolarHBondContact SG-SG 2.8Å |
| 343 | Q | 97.6 | Very high | 95.2 | Very high | 123 Ų | 123 | 89.1 Ų | 89.1 | 58% | 0.575 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 157.9 | 167.4 | -64.4 | 178.6 | -4.4 | 0 | 0 | 110.1 | K329 C330 | K329-Q343 WeakPolarHBondContact CA-O 3.02Å; C330-Q343 PolarHBondContact N-O 2.95Å; C330-Q343 PolarHBondContact O-N 2.87Å; C330-Q343 PolarHBondContact SG-O 2.02Å |
| 344 | E | 97.3 | Very high | 95.2 | Very high | 121 Ų | 121 | 84.2 Ų | 84.2 | 57% | 0.565 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 118.3 | 169.5 | -61.4 | -159.4 | 155.6 | 0 | 0 | 109.7 | K329 | K329-E344 HydrophobicContact CD-CG 4.29Å; K329-E344 IonicContact NZ-OE1 3.29Å; K329-E344 PolarHBondContact NZ-OE1 2.89Å |
| 345 | C | 97.1 | Very high | 95.1 | Very high | 31 Ų | 31 | 83.9 Ų | 83.9 | 21% | 0.209 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 147.1 | 171.1 | -71 | 0 | 0 | 0 | 0 | 110.1 | K327 E328 C330 | K327-C345 WeakPolarHBondContact CA-O 3.34Å; E328-C345 PolarHBondContact N-O 2.91Å; E328-C345 PolarHBondContact O-N 3.32Å; C330-C345 HydrophobicContact CB-CB 3.55Å; C330-C345 WeakPolarHBondContact CB-SG 3.4Å; C330-C345 WeakPolarHBondContact SG-CB 3Å; C330-C345 PolarHBondContact SG-N 3.29Å; C330-C345 CovalentContact SG-SG 2Å; C330-C345 PolarHBondContact SG-SG 2.85Å |
| 346 | V | 96.9 | Very high | 95.1 | Very high | 85 Ų | 85 | 84.5 Ų | 84.5 | 52% | 0.515 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 111.8 | 166.3 | -178.9 | 0 | 0 | 0 | 0 | 107.3 | K325 K327 | K325-V346 HydrophobicContact CB-CG1 3.81Å; K325-V346 HydrophobicContact CD-CG1 4.16Å; K325-V346 HydrophobicContact CG-CG1 4.31Å; K327-V346 HydrophobicContact CG-CG2 4.12Å |
| 347 | R | 95.6 | Very high | 95.2 | Very high | 132 Ų | 132 | 76.7 Ų | 76.7 | 50% | 0.498 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 143.4 | 169.5 | -73.1 | -153.7 | 179.7 | 142.5 | 1.7 | 110.4 | K325 R326 E328 Y349 | K325-R347 CarbonylContact C-O 3.52Å; K325-R347 WeakPolarHBondContact CA-O 3.2Å; R326-R347 PolarHBondContact N-O 2.99Å; R326-R347 PolarHBondContact O-N 3.2Å; E328-R347 HydrophobicContact CG-CG 4.18Å; E328-R347 WeakPolarHBondContact OE1-CD 3.32Å; E328-R347 IonicContact OE1-CZ 3.59Å; E328-R347 IonicContact OE1-NE 2.8Å; E328-R347 PolarHBondContact OE1-NE 3.2Å; E328-R347 VanDerWaalsContact OE1-NE 3.12Å; E328-R347 IonicContact OE1-NH1 3.9Å; E328-R347 PolarHBondContact OE1-NH1 2.85Å; E328-R347 IonicContact OE1-NH2 2.72Å; R347-Y349 HydrophobicContact CB-CD2 4.31Å; R347-Y349 HydrophobicContact CB-CE2 3.53Å; R347-Y349 WeakPolarHBondContact CD-OH 3.21Å |
| 348 | V | 95.1 | Very high | 95.7 | Very high | 85 Ų | 85 | 75.3 Ų | 75.3 | 52% | 0.515 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 125.3 | 179.9 | -169.9 | 0 | 0 | 0 | 0 | 107.3 | T323 K325 | T323-V348 HydrophobicContact CG2-CG1 3.13Å; K325-V348 HydrophobicContact CG-CG2 4.21Å |
| 349 | Y | 93.9 | Very high | 96.1 | Very high | 82 Ų | 82 | 73.4 Ų | 73.4 | 32% | 0.322 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 139 | 179.3 | -63.1 | -80.4 | 0 | 0 | 0 | 109.6 | E324 R326 E328 R347 | E324-Y349 PolarHBondContact N-O 2.84Å; E324-Y349 PolarHBondContact O-N 2.88Å; R326-Y349 HydrophobicContact CB-CD2 4.15Å; R326-Y349 HydrophobicContact CB-CE2 4.09Å; R326-Y349 HydrophobicContact CG-CD2 4.21Å; E328-Y349 PolarHBondContact OE2-OH 2.89Å; R347-Y349 HydrophobicContact CB-CD2 4.31Å; R347-Y349 HydrophobicContact CB-CE2 3.53Å; R347-Y349 WeakPolarHBondContact CD-OH 3.21Å |
| 350 | D | 94.6 | Very high | 96.1 | Very high | 96 Ų | 96 | 69.2 Ų | 69.2 | 51% | 0.513 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 122.1 | 168 | -66.9 | -38.5 | 0 | 0 | 0 | 109.1 | T321 T323 | T321-D350 HydrophobicContact CG2-CB 4.22Å; T323-D350 WeakPolarHBondContact CB-OD1 3.26Å; T323-D350 PolarHBondContact OG1-OD1 2.04Å |
| 351 | V | 95.4 | Very high | 96.1 | Very high | 14 Ų | 14 | 68 Ų | 68 | 9% | 0.085 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 122.6 | 178.8 | -178.4 | 0 | 0 | 0 | 0 | 108.3 | V299 R322 E324 T353 | V299-V351 HydrophobicContact CG1-CG1 4.22Å; V299-V351 HydrophobicContact CG2-CG1 4.12Å; R322-V351 HydrophobicContact CG-CB 3.98Å; R322-V351 PolarHBondContact N-O 2.95Å; R322-V351 PolarHBondContact O-N 2.76Å; E324-V351 HydrophobicContact CB-CG2 4.07Å; V351-T353 HydrophobicContact CG1-CG2 4.36Å |
| 352 | H | 96.1 | Very high | 96 | Very high | 30 Ų | 30 | 68.6 Ų | 68.6 | 14% | 0.139 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 130.3 | 179.2 | -51.5 | -74.8 | 0 | 0 | 0 | 110.1 | V299 C300 V302 H319 N320 T321 | V299-H352 CarbonylContact C-O 3.5Å; V299-H352 VanDerWaalsContact CA-O 3.27Å; V299-H352 WeakPolarHBondContact CA-O 3.22Å; C300-H352 PolarHBondContact N-O 3.35Å; V302-H352 HydrophobicContact CG1-CB 4.02Å; V302-H352 WeakPolarHBondContact CG1-CD2 3.49Å; V302-H352 VanDerWaalsContact CG1-CG 3.43Å; V302-H352 WeakPolarHBondContact CG2-NE2 3.43Å; H319-H352 AromaticContact CE1-ND1 3.79Å; H319-H352 AromaticContact ND1-ND1 3.74Å; N320-H352 CarbonylContact O-C 3.45Å; N320-H352 VanDerWaalsContact O-CA 3.25Å; N320-H352 WeakPolarHBondContact O-CA 3.38Å; T321-H352 PolarHBondContact OG1-ND1 2.03Å |
| 353 | T | 96.3 | Very high | 95.9 | Very high | 10 Ų | 10 | 70.8 Ų | 70.8 | 6% | 0.061 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 135.4 | -179.3 | 52.2 | 0 | 0 | 0 | 0 | 111.4 | R298 V299 H319 N320 V351 | R298-T353 CarbonylContact O-C 3.31Å; R298-T353 VanDerWaalsContact O-CA 3.23Å; R298-T353 WeakPolarHBondContact O-CA 3.28Å; V299-T353 HydrophobicContact CG2-CG2 4.16Å; H319-T353 CarbonylContact C-O 3.53Å; H319-T353 VanDerWaalsContact CA-O 3.29Å; H319-T353 WeakPolarHBondContact CA-O 3.34Å; H319-T353 WeakPolarHBondContact CB-O 3.41Å; N320-T353 PolarHBondContact N-O 3.46Å; N320-T353 PolarHBondContact O-N 3.18Å; V351-T353 HydrophobicContact CG1-CG2 4.36Å |
| 354 | C | 95.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 143.3 | 179.3 | -62.8 | 0 | 0 | 0 | 0 | 113 | T295 D297 R298 C314 | T295-C354 WeakPolarHBondContact O-CB 3.27Å; D297-C354 PolarHBondContact N-O 2.73Å; R298-C354 PolarHBondContact O-N 3.43Å; C314-C354 WeakPolarHBondContact CA-SG 3Å; C314-C354 HydrophobicContact CB-CB 3.54Å; C314-C354 WeakPolarHBondContact CB-SG 3.42Å; C314-C354 WeakPolarHBondContact SG-CA 3.47Å; C314-C354 WeakPolarHBondContact SG-CB 3.4Å; C314-C354 CovalentContact SG-SG 2.03Å; C314-C354 PolarHBondContact SG-SG 3.08Å |
| 355 | K | 94.9 | Very high | 95.6 | Very high | 111 Ų | 111 | 61.5 Ų | 61.5 | 48% | 0.483 | 30% | 0.304 | S | S | . | . | trans | -75.9 | 0 | 175.3 | -69.3 | -179.4 | -179.5 | 176.5 | 0 | 113.1 | R296 R317 G318 H319 N320 | R296-K355 WeakPolarHBondContact CD-OXT 3.39Å; R296-K355 WeakPolarHBondContact CG-OXT 3.38Å; R317-K355 HydrophobicContact CB-CB 4.49Å; R317-K355 PolarHBondContact NE-O 3.4Å; R317-K355 PolarHBondContact NH2-O 3.07Å; R317-K355 VanDerWaalsContact NH2-O 3.12Å; G318-K355 PolarHBondContact O-N 3.08Å; H319-K355 WeakPolarHBondContact O-CE 3.36Å; N320-K355 WeakPolarHBondContact OD1-CE 3.41Å |
Retrieved 355 of 355 residues in 248.4 ms
(Link to these results)