| 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 | 40.4 | Very low | 40.8 | Very low | 249 Ų | 249 | 143.5 Ų | 143.5 | 100% | 1.227 | 89% | 0.888 | S | S | * | * | 0 | 121.9 | 0 | -74 | -163.6 | 174 | 0 | 0 | 108.1 | |||||
| 2 | A | 37.6 | Very low | 41.2 | Very low | 107 Ų | 107 | 152.1 Ų | 152.1 | 88% | 0.884 | 89% | 0.891 | S | S | * | * | trans | -77.6 | 142.7 | -175 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 3 | A | 46.7 | Very low | 41.2 | Very low | 103 Ų | 103 | 150.4 Ų | 150.4 | 85% | 0.851 | 88% | 0.884 | S | S | * | * | trans | -135.1 | 116.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 4 | L | 44.4 | Very low | 41.2 | Very low | 173 Ų | 173 | 144.7 Ų | 144.7 | 91% | 0.906 | 87% | 0.873 | S | S | * | * | trans | -66.3 | 136 | 177 | -71.1 | 134.7 | 0 | 0 | 0 | 110.9 | ||||
| 5 | C | 40.5 | Very low | 41.4 | Very low | 135 Ų | 135 | 141.9 Ų | 141.9 | 91% | 0.912 | 87% | 0.872 | S | S | * | * | trans | -120.2 | 121.1 | 162.2 | -124.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 6 | K | 42.8 | Very low | 41.5 | Very low | 201 Ų | 201 | 139.1 Ų | 139.1 | 87% | 0.874 | 86% | 0.858 | S | S | * | * | trans | -76.3 | 140.8 | -169.5 | -73.7 | 177 | 173.6 | 175.6 | 0 | 112.5 | ||||
| 7 | V | 36.3 | Very low | 41.5 | Very low | 136 Ų | 136 | 139 Ų | 139 | 82% | 0.824 | 86% | 0.857 | S | S | * | * | trans | -70.5 | 135.5 | 164.4 | 169.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 8 | V | 45.3 | Very low | 41.7 | Very low | 140 Ų | 140 | 140.7 Ų | 140.7 | 85% | 0.848 | 85% | 0.85 | S | S | * | * | trans | -123.1 | 115.8 | 162.2 | 176.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 9 | A | 36.4 | Very low | 41.9 | Very low | 94 Ų | 94 | 139.4 Ų | 139.4 | 78% | 0.777 | 85% | 0.845 | S | S | * | * | trans | -84.6 | 134.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 10 | G | 36.8 | Very low | 41.9 | Very low | 79 Ų | 79 | 142.9 Ų | 142.9 | 81% | 0.814 | 85% | 0.848 | S | S | * | * | trans | -123.6 | 101.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 11 | L | 41.9 | Very low | 41.9 | Very low | 162 Ų | 162 | 147.3 Ų | 147.3 | 85% | 0.848 | 85% | 0.85 | S | S | * | * | trans | -80.7 | 123.2 | 172.9 | -157.5 | 77.7 | 0 | 0 | 0 | 108.5 | T13 | L11-T13 HydrophobicContact CD2-CG2 4.49Š| ||
| 12 | R | 46 | Very low | 42.1 | Very low | 246 Ų | 246 | 139.9 Ų | 139.9 | 93% | 0.928 | 83% | 0.828 | S | S | * | * | trans | -128.1 | 103.1 | 163.1 | -73.7 | -169 | 179.3 | -169.2 | 0.8 | 109.3 | ||||
| 13 | T | 41 | Very low | 42.4 | Very low | 130 Ų | 130 | 141.9 Ų | 141.9 | 80% | 0.798 | 82% | 0.823 | S | S | * | * | trans | -74.2 | 118 | 169.5 | 44.3 | 0 | 0 | 0 | 0 | 109.5 | L11 | L11-T13 HydrophobicContact CD2-CG2 4.49Š| ||
| 14 | G | 40.3 | Very low | 42 | Very low | 71 Ų | 71 | 144.2 Ų | 144.2 | 73% | 0.732 | 82% | 0.821 | S | S | * | * | trans | -127.6 | 106.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 15 | A | 44.8 | Very low | 42 | Very low | 103 Ų | 103 | 143.7 Ų | 143.7 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | trans | -80.7 | 117.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 16 | C | 42.3 | Very low | 41.8 | Very low | 97 Ų | 97 | 142.5 Ų | 142.5 | 66% | 0.655 | 81% | 0.809 | S | S | * | * | trans | -106.7 | 108.7 | 165.3 | 42.3 | 0 | 0 | 0 | 0 | 108.7 | F18 | C16-F18 HydrophobicContact CB-CD2 4.44Å; C16-F18 HydrophobicContact CB-CE2 3.96Å; C16-F18 PolarHBondContact O-N 3.47Å | ||
| 17 | V | 42.9 | Very low | 41.5 | Very low | 137 Ų | 137 | 142.2 Ų | 142.2 | 83% | 0.83 | 81% | 0.808 | S | S | * | * | trans | -77 | 104.1 | 177.2 | 179.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 18 | F | 44.7 | Very low | 41.7 | Very low | 169 Ų | 169 | 141.1 Ų | 141.1 | 74% | 0.741 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 122.3 | 166.7 | -72.1 | -81 | 0 | 0 | 0 | 109.1 | C16 K20 | C16-F18 HydrophobicContact CB-CD2 4.44Å; C16-F18 HydrophobicContact CB-CE2 3.96Å; C16-F18 PolarHBondContact O-N 3.47Å; F18-K20 PolarHBondContact O-N 3.34Å |
| 19 | P | 45 | Very low | 41.6 | Very low | 116 Ų | 116 | 142.1 Ų | 142.1 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 129.4 | 174.6 | 27.8 | -31.1 | 0 | 0 | 0 | 110 | R21 | P19-R21 PolarHBondContact O-N 2.95Š|
| 20 | K | 41.7 | Very low | 41.6 | Very low | 210 Ų | 210 | 146.5 Ų | 146.5 | 91% | 0.913 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 119.7 | 170.9 | -61.9 | 175.3 | 178.9 | 178.5 | 0 | 108.8 | F18 | F18-K20 PolarHBondContact O-N 3.34Š|
| 21 | R | 42.5 | Very low | 41.4 | Very low | 236 Ų | 236 | 148.1 Ų | 148.1 | 89% | 0.891 | 80% | 0.802 | S | S | * | * | trans | -104.8 | 104.3 | 154.5 | -82.6 | -172.3 | 173.4 | 175.7 | -1.3 | 107.7 | P19 | P19-R21 PolarHBondContact O-N 2.95Š| ||
| 22 | A | 44.3 | Very low | 41.1 | Very low | 92 Ų | 92 | 144.7 Ų | 144.7 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | trans | -63.1 | 128.7 | 161 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 23 | I | 44.1 | Very low | 40.5 | Very low | 149 Ų | 149 | 140.6 Ų | 140.6 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | trans | -117.5 | 104.4 | 165.4 | -56 | 177.4 | 0 | 0 | 0 | 104.4 | I25 | I23-I25 PolarHBondContact O-N 3.33Š| ||
| 24 | D | 37.7 | Very low | 40.3 | Very low | 152 Ų | 152 | 139.8 Ų | 139.8 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | -61.6 | 119.8 | 171.9 | -77.9 | -45.9 | 0 | 0 | 0 | 109.1 | C26 | D24-C26 PolarHBondContact O-N 2.72Š| ||
| 25 | I | 45.6 | Very low | 40 | Very low | 162 Ų | 162 | 145.5 Ų | 145.5 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | trans | -81 | 103.9 | 170.5 | -63.5 | 169.9 | 0 | 0 | 0 | 106.6 | I23 | I23-I25 PolarHBondContact O-N 3.33Š| ||
| 26 | C | 35.5 | Very low | 39.4 | Very low | 111 Ų | 111 | 149.6 Ų | 149.6 | 75% | 0.75 | 79% | 0.794 | S | S | * | * | trans | -166 | 95.9 | 161 | -102.3 | 0 | 0 | 0 | 0 | 111.5 | D24 | D24-C26 PolarHBondContact O-N 2.72Š| ||
| 27 | K | 35.8 | Very low | 38.6 | Very low | 195 Ų | 195 | 151.4 Ų | 151.4 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | 163.1 | 123.1 | 107.6 | -88.8 | 175.1 | 179.9 | 178.1 | 0 | 111 | |||||
| 28 | S | 41 | Very low | 38 | Very low | 112 Ų | 112 | 149.6 Ų | 149.6 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | trans | -53.3 | 127 | 159.9 | 159.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 29 | L | 43.5 | Very low | 37.3 | Very low | 161 Ų | 161 | 150.9 Ų | 150.9 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | trans | -128.8 | 102.9 | 156.9 | -67.7 | 174.9 | 0 | 0 | 0 | 107.2 | ||||
| 30 | Y | 37.1 | Very low | 36.4 | Very low | 187 Ų | 187 | 149.2 Ų | 149.2 | 73% | 0.733 | 81% | 0.807 | S | S | * | * | trans | -60.1 | 135.6 | 158.9 | 93.3 | -74.3 | 0 | 0 | 0 | 107.1 | T32 | Y30-T32 HydrophobicContact CE2-CG2 4.03Å; Y30-T32 WeakPolarHBondContact CE2-OG1 3.46Å | ||
| 31 | S | 32.7 | Very low | 35.7 | Very low | 112 Ų | 112 | 148.8 Ų | 148.8 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | trans | -119.1 | 114.6 | 171.9 | -145.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 32 | T | 33.6 | Very low | 35 | Very low | 91 Ų | 91 | 142.3 Ų | 142.3 | 56% | 0.558 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -75 | 124.1 | 175.6 | -12.1 | 0 | 0 | 0 | 0 | 108.6 | Y30 | Y30-T32 HydrophobicContact CE2-CG2 4.03Å; Y30-T32 WeakPolarHBondContact CE2-OG1 3.46Å |
| 33 | D | 33.8 | Very low | 34.3 | Very low | 160 Ų | 160 | 144 Ų | 144 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 118.3 | 168.6 | -73.1 | -32.2 | 0 | 0 | 0 | 108.9 | ||
| 34 | S | 36.9 | Very low | 33.7 | Very low | 113 Ų | 113 | 145.4 Ų | 145.4 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 140.2 | 170.5 | -62.4 | 0 | 0 | 0 | 0 | 109.2 | ||
| 35 | E | 33.7 | Very low | 33.3 | Very low | 190 Ų | 190 | 146.8 Ų | 146.8 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 144.6 | -170.1 | -57.2 | -158.7 | 151.9 | 0 | 0 | 116 | ||
| 36 | E | 32.6 | Very low | 32.5 | Very low | 190 Ų | 190 | 145.1 Ų | 145.1 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 135.2 | 169 | -62 | -170.2 | 163 | 0 | 0 | 111.1 | ||
| 37 | T | 25.3 | Very low | 32.4 | Very low | 134 Ų | 134 | 148.5 Ų | 148.5 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | -146.3 | 145.4 | 148.8 | 37.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 38 | S | 31.1 | Very low | 32 | Very low | 99 Ų | 99 | 148.8 Ų | 148.8 | 69% | 0.692 | 81% | 0.812 | S | S | * | * | trans | 82 | 101.5 | 151 | 85.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 39 | E | 29.4 | Very low | 31.6 | Very low | 196 Ų | 196 | 149.5 Ų | 149.5 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | 73.3 | 128.6 | 114.7 | -67.6 | -179.6 | -170.5 | 0 | 0 | 119.9 | |||||
| 40 | G | 27.5 | Very low | 31.3 | Very low | 81 Ų | 81 | 146.3 Ų | 146.3 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | trans | -86.8 | 172.1 | -168.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 41 | K | 25.1 | Very low | 31.7 | Very low | 201 Ų | 201 | 141.8 Ų | 141.8 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | trans | -152.3 | 119.3 | 153.4 | -140.2 | 170.3 | -174.4 | 177 | 0 | 109.7 | ||||
| 42 | A | 28 | Very low | 33 | Very low | 100 Ų | 100 | 143.8 Ų | 143.8 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | trans | -67.9 | 128.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 43 | V | 30.1 | Very low | 34.5 | Very low | 129 Ų | 129 | 148.1 Ų | 148.1 | 78% | 0.782 | 83% | 0.825 | S | S | * | * | trans | -136.2 | 118.9 | 154.6 | -178 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 44 | E | 30.7 | Very low | 36.2 | Very low | 177 Ų | 177 | 146.9 Ų | 146.9 | 83% | 0.827 | 82% | 0.823 | S | S | * | * | trans | -82.3 | 117.8 | 174.9 | -176.1 | -176.1 | -172.1 | 0 | 0 | 108.7 | ||||
| 45 | E | 29.3 | Very low | 38.2 | Very low | 182 Ų | 182 | 146.9 Ų | 146.9 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | trans | -138.4 | 116.6 | 156.9 | -80.8 | -165.4 | 161.9 | 0 | 0 | 109.7 | ||||
| 46 | T | 29.7 | Very low | 40.6 | Very low | 126 Ų | 126 | 142.3 Ų | 142.3 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | -86.4 | 109.6 | 172.5 | -70.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 47 | Q | 33.2 | Very low | 43.3 | Very low | 183 Ų | 183 | 136.1 Ų | 136.1 | 86% | 0.855 | 78% | 0.784 | S | S | * | * | trans | -152.9 | 114.1 | 155.2 | -65 | -167.1 | 6.5 | 0 | 0 | 112.4 | ||||
| 48 | K | 27.2 | Very low | 46.5 | Very low | 201 Ų | 201 | 138.1 Ų | 138.1 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | 34.9 | 145.3 | 148.7 | -77.2 | 178.8 | 178 | 178.9 | 0 | 122.4 | A50 | K48-A50 PolarHBondContact O-N 2.67Š| ||
| 49 | P | 33.7 | Very low | 49.3 | Very low | 126 Ų | 126 | 135.5 Ų | 135.5 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -71.4 | 121.8 | -164.7 | 31.5 | -33.5 | 0 | 0 | 0 | 111.1 | A51 | P49-A51 PolarHBondContact O-N 3.31Å; P49-A51 VanDerWaalsContact O-N 3.15Å | ||
| 50 | A | 36.2 | Very low | 52.2 | Low | 94 Ų | 94 | 127.5 Ų | 127.5 | 78% | 0.777 | 73% | 0.734 | S | S | * | * | trans | -70.2 | 107.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | K48 | K48-A50 PolarHBondContact O-N 2.67Š| ||
| 51 | A | 46.9 | Very low | 55.2 | Low | 92 Ų | 92 | 126 Ų | 126 | 76% | 0.76 | 71% | 0.714 | S | S | * | * | trans | -61.1 | 133.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | P49 | P49-A51 PolarHBondContact O-N 3.31Å; P49-A51 VanDerWaalsContact O-N 3.15Å | ||
| 52 | D | 59.2 | Low | 58.4 | Low | 155 Ų | 155 | 123.4 Ų | 123.4 | 83% | 0.829 | 70% | 0.7 | S | S | * | * | trans | 44.1 | 72.6 | 159.5 | -67.5 | -22.3 | 0 | 0 | 0 | 118.7 | ||||
| 53 | K | 65.1 | Low | 61.5 | Low | 182 Ų | 182 | 122.1 Ų | 122.1 | 79% | 0.791 | 68% | 0.677 | S | S | * | * | trans | -75.4 | 120.6 | 141.5 | -69.2 | -173.8 | -177.8 | -174 | 0 | 107.3 | K55 | K53-K55 PolarHBondContact O-N 3.04Š| ||
| 54 | V | 69.9 | Low | 64.4 | Low | 134 Ų | 134 | 122.4 Ų | 122.4 | 81% | 0.812 | 67% | 0.669 | S | S | * | * | trans | -60.6 | 100.8 | 172 | -179 | 0 | 0 | 0 | 0 | 107.5 | S56 | V54-S56 PolarHBondContact O-N 3.37Š| ||
| 55 | K | 78.4 | Confident | 67.2 | Low | 113 Ų | 113 | 118.9 Ų | 118.9 | 49% | 0.491 | 65% | 0.653 | S | S | . | * | trans | -66.9 | 126 | 174.4 | -61.7 | 167.4 | -165.7 | 168.3 | 0 | 106 | K53 A59 A60 E63 | K53-K55 PolarHBondContact O-N 3.04Å; K55-A59 HydrophobicContact CB-CB 4.09Å; K55-A60 VanDerWaalsContact O-CB 3.27Å; K55-A60 WeakPolarHBondContact O-CB 3.46Å; K55-E63 WeakPolarHBondContact CD-OE1 3.48Å; K55-E63 WeakPolarHBondContact CD-OE2 3.36Å; K55-E63 WeakPolarHBondContact CE-OE1 3.29Å; K55-E63 WeakPolarHBondContact CE-OE2 3.32Å; K55-E63 IonicContact NZ-OE1 3.14Å; K55-E63 PolarHBondContact NZ-OE1 2.72Å; K55-E63 IonicContact NZ-OE2 2.56Å; K55-E63 PolarHBondContact NZ-OE2 2.88Å | ||
| 56 | S | 83.1 | Confident | 70.2 | Confident | 94 Ų | 94 | 112 Ų | 112 | 66% | 0.657 | 62% | 0.623 | S | S | * | * | trans | -122.5 | 162.4 | -176.7 | 68.5 | 0 | 0 | 0 | 0 | 110.5 | V54 F58 | V54-S56 PolarHBondContact O-N 3.37Å; S56-F58 PolarHBondContact O-N 2.99Å | ||
| 57 | G | 90.4 | Very high | 73 | Confident | 59 Ų | 59 | 109.7 Ų | 109.7 | 61% | 0.608 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 61.1 | -126.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A59 A60 A61 | G57-A59 PolarHBondContact O-N 3.45Å; G57-A60 PolarHBondContact O-N 3.15Å; G57-A61 PolarHBondContact O-N 2.94Å |
| 58 | F | 91.6 | Very high | 75.4 | Confident | 176 Ų | 176 | 106 Ų | 106 | 77% | 0.772 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -64.7 | -39.4 | -173.7 | -171.4 | -94.3 | 0 | 0 | 0 | 113.2 | S56 A60 A61 Y62 | S56-F58 PolarHBondContact O-N 2.99Å; F58-A60 VanDerWaalsContact C-N 3.3Å; F58-A60 PolarHBondContact O-N 3.32Å; F58-A61 PolarHBondContact O-N 3.03Å; F58-Y62 WeakPolarHBondContact O-CB 3.25Å; F58-Y62 PolarHBondContact O-N 2.8Å |
| 59 | A | 90.8 | Very high | 78 | Confident | 45 Ų | 45 | 101.1 Ų | 101.1 | 37% | 0.372 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.7 | -38.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112 | K55 G57 E63 | K55-A59 HydrophobicContact CB-CB 4.09Å; G57-A59 PolarHBondContact O-N 3.45Å; A59-E63 WeakPolarHBondContact O-CG 3.47Å; A59-E63 PolarHBondContact O-N 3.15Å |
| 60 | A | 90.1 | Very high | 80.2 | Confident | 27 Ų | 27 | 99.7 Ų | 99.7 | 22% | 0.223 | 55% | 0.554 | C | S | . | * | H | α-helix | trans | -65.6 | -44.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | K55 G57 F58 E63 Q64 | K55-A60 VanDerWaalsContact O-CB 3.27Å; K55-A60 WeakPolarHBondContact O-CB 3.46Å; G57-A60 PolarHBondContact O-N 3.15Å; F58-A60 VanDerWaalsContact C-N 3.3Å; F58-A60 PolarHBondContact O-N 3.32Å; A60-E63 PolarHBondContact O-N 3.4Å; A60-Q64 WeakPolarHBondContact O-CG 3.31Å; A60-Q64 PolarHBondContact O-N 3.39Å |
| 61 | A | 91.4 | Very high | 82 | Confident | 51 Ų | 51 | 103.2 Ų | 103.2 | 42% | 0.421 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.6 | -38.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | G57 F58 E63 Q64 H65 | G57-A61 PolarHBondContact O-N 2.94Å; F58-A61 PolarHBondContact O-N 3.03Å; A61-E63 VanDerWaalsContact C-N 3.33Å; A61-E63 PolarHBondContact O-N 3.06Å; A61-Q64 PolarHBondContact O-N 2.98Å; A61-H65 WeakPolarHBondContact O-CB 3.42Å; A61-H65 PolarHBondContact O-N 2.81Å |
| 62 | Y | 92.3 | Very high | 82.9 | Confident | 145 Ų | 145 | 105.9 Ų | 105.9 | 57% | 0.569 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.8 | -41 | 177.1 | -176.1 | -98 | 0 | 0 | 0 | 111.8 | F58 H65 T66 | F58-Y62 WeakPolarHBondContact O-CB 3.25Å; F58-Y62 PolarHBondContact O-N 2.8Å; Y62-H65 PolarHBondContact O-N 3.48Å; Y62-T66 WeakPolarHBondContact O-CB 3.42Å; Y62-T66 PolarHBondContact O-N 2.99Å; Y62-T66 PolarHBondContact O-OG1 3.29Å |
| 63 | E | 91.9 | Very high | 83.1 | Confident | 74 Ų | 74 | 105.1 Ų | 105.1 | 35% | 0.346 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.8 | -42.8 | 177.8 | -71.9 | -177.5 | -175.3 | 0 | 0 | 112.3 | K55 A59 A60 A61 H65 T66 D67 | K55-E63 WeakPolarHBondContact CD-OE1 3.48Å; K55-E63 WeakPolarHBondContact CD-OE2 3.36Å; K55-E63 WeakPolarHBondContact CE-OE1 3.29Å; K55-E63 WeakPolarHBondContact CE-OE2 3.32Å; K55-E63 IonicContact NZ-OE1 3.14Å; K55-E63 PolarHBondContact NZ-OE1 2.72Å; K55-E63 IonicContact NZ-OE2 2.56Å; K55-E63 PolarHBondContact NZ-OE2 2.88Å; A59-E63 WeakPolarHBondContact O-CG 3.47Å; A59-E63 PolarHBondContact O-N 3.15Å; A60-E63 PolarHBondContact O-N 3.4Å; A61-E63 VanDerWaalsContact C-N 3.33Å; A61-E63 PolarHBondContact O-N 3.06Å; E63-H65 VanDerWaalsContact C-N 3.27Å; E63-H65 PolarHBondContact O-N 2.91Å; E63-T66 PolarHBondContact O-N 2.9Å; E63-D67 WeakPolarHBondContact O-CB 3.44Å; E63-D67 VanDerWaalsContact O-CG 3.25Å; E63-D67 PolarHBondContact O-N 2.76Å |
| 64 | Q | 91.1 | Very high | 82.9 | Confident | 134 Ų | 134 | 103.9 Ų | 103.9 | 63% | 0.626 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -56.3 | -42.7 | 172.8 | -73 | 178.8 | -7.6 | 0 | 0 | 112 | A60 A61 L68 | A60-Q64 WeakPolarHBondContact O-CG 3.31Å; A60-Q64 PolarHBondContact O-N 3.39Å; A61-Q64 PolarHBondContact O-N 2.98Å; Q64-L68 VanDerWaalsContact O-CG 3.25Å; Q64-L68 WeakPolarHBondContact O-CG 3.29Å; Q64-L68 PolarHBondContact O-N 3.26Å; Q64-L68 VanDerWaalsContact O-N 3.09Å |
| 65 | H | 89.1 | Confident | 82.1 | Confident | 104 Ų | 104 | 102.4 Ų | 102.4 | 48% | 0.481 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.8 | -41 | 178 | 178.1 | -108.7 | 0 | 0 | 0 | 112.5 | A61 Y62 E63 L68 Q69 | A61-H65 WeakPolarHBondContact O-CB 3.42Å; A61-H65 PolarHBondContact O-N 2.81Å; Y62-H65 PolarHBondContact O-N 3.48Å; E63-H65 VanDerWaalsContact C-N 3.27Å; E63-H65 PolarHBondContact O-N 2.91Å; H65-L68 PolarHBondContact O-N 2.87Å; H65-Q69 PolarHBondContact CE1-NE2 3.04Å; H65-Q69 PolarHBondContact NE2-NE2 3.26Å; H65-Q69 PolarHBondContact O-N 2.86Å; H65-Q69 VanDerWaalsContact O-N 3.08Å |
| 66 | T | 92 | Very high | 81 | Confident | 36 Ų | 36 | 100.8 Ų | 100.8 | 22% | 0.221 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -65.1 | -42.4 | 178.1 | -54.6 | 0 | 0 | 0 | 0 | 111 | Y62 E63 L68 Q69 Q70 | Y62-T66 WeakPolarHBondContact O-CB 3.42Å; Y62-T66 PolarHBondContact O-N 2.99Å; Y62-T66 PolarHBondContact O-OG1 3.29Å; E63-T66 PolarHBondContact O-N 2.9Å; T66-L68 VanDerWaalsContact C-N 3.34Å; T66-L68 PolarHBondContact O-N 2.74Å; T66-Q69 PolarHBondContact O-N 3.26Å; T66-Q70 WeakPolarHBondContact O-CG 3.32Å; T66-Q70 PolarHBondContact O-N 2.84Å |
| 67 | D | 88.4 | Confident | 79 | Confident | 78 Ų | 78 | 102 Ų | 102 | 42% | 0.417 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.7 | -39.3 | 175.5 | -73.6 | -9.2 | 0 | 0 | 0 | 111.8 | E63 Q70 R71 | E63-D67 WeakPolarHBondContact O-CB 3.44Å; E63-D67 VanDerWaalsContact O-CG 3.25Å; E63-D67 PolarHBondContact O-N 2.76Å; D67-Q70 PolarHBondContact O-N 2.62Å; D67-R71 WeakPolarHBondContact O-CB 3.48Å; D67-R71 WeakPolarHBondContact O-CG 3.41Å; D67-R71 PolarHBondContact O-N 2.81Å |
| 68 | L | 83.7 | Confident | 77 | Confident | 107 Ų | 107 | 105.9 Ų | 105.9 | 56% | 0.56 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.3 | -41.7 | 175.4 | -74.2 | 175.9 | 0 | 0 | 0 | 112 | Q64 H65 T66 Q72 | Q64-L68 VanDerWaalsContact O-CG 3.25Å; Q64-L68 WeakPolarHBondContact O-CG 3.29Å; Q64-L68 PolarHBondContact O-N 3.26Å; Q64-L68 VanDerWaalsContact O-N 3.09Å; H65-L68 PolarHBondContact O-N 2.87Å; T66-L68 VanDerWaalsContact C-N 3.34Å; T66-L68 PolarHBondContact O-N 2.74Å; L68-Q72 WeakPolarHBondContact O-CG 3.46Å; L68-Q72 PolarHBondContact O-N 2.81Å; L68-Q72 VanDerWaalsContact O-N 3.1Å |
| 69 | Q | 81.9 | Confident | 74.8 | Confident | 97 Ų | 97 | 103.5 Ų | 103.5 | 45% | 0.453 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.6 | -43.9 | 174.3 | -74 | -172.5 | 21.2 | 0 | 0 | 112 | H65 T66 Q72 N73 | H65-Q69 PolarHBondContact CE1-NE2 3.04Å; H65-Q69 PolarHBondContact NE2-NE2 3.26Å; H65-Q69 PolarHBondContact O-N 2.86Å; H65-Q69 VanDerWaalsContact O-N 3.08Å; T66-Q69 PolarHBondContact O-N 3.26Å; Q69-Q72 PolarHBondContact O-N 2.88Å; Q69-N73 VanDerWaalsContact O-CG 3.28Å; Q69-N73 PolarHBondContact O-N 3.03Å; Q69-N73 PolarHBondContact O-ND2 2.84Å |
| 70 | Q | 80.9 | Confident | 72.6 | Confident | 96 Ų | 96 | 113 Ų | 113 | 45% | 0.449 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -66.2 | -40.1 | 179.4 | -70.8 | 179.5 | 9 | 0 | 0 | 112.2 | T66 D67 Q72 N73 Q74 | T66-Q70 WeakPolarHBondContact O-CG 3.32Å; T66-Q70 PolarHBondContact O-N 2.84Å; D67-Q70 PolarHBondContact O-N 2.62Å; Q70-Q72 VanDerWaalsContact C-N 3.33Å; Q70-Q72 PolarHBondContact O-N 2.88Å; Q70-N73 PolarHBondContact O-N 3.06Å; Q70-N73 VanDerWaalsContact O-N 3.1Å; Q70-Q74 PolarHBondContact O-N 3Å; Q70-Q74 VanDerWaalsContact O-N 3.09Å |
| 71 | R | 74.4 | Confident | 70.6 | Confident | 169 Ų | 169 | 119 Ų | 119 | 64% | 0.638 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -64.1 | -36.7 | 176.1 | -75.7 | 173.1 | -177.6 | -112.9 | 1.9 | 112.6 | D67 N73 Q74 T75 | D67-R71 WeakPolarHBondContact O-CB 3.48Å; D67-R71 WeakPolarHBondContact O-CG 3.41Å; D67-R71 PolarHBondContact O-N 2.81Å; R71-N73 VanDerWaalsContact C-N 3.27Å; R71-N73 PolarHBondContact O-N 2.74Å; R71-Q74 PolarHBondContact O-N 2.81Å; R71-T75 PolarHBondContact O-N 2.92Å; R71-T75 PolarHBondContact O-OG1 3.49Å |
| 72 | Q | 64.8 | Low | 68.2 | Low | 148 Ų | 148 | 119.9 Ų | 119.9 | 69% | 0.692 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -64.3 | -33 | 172.6 | -76.1 | 176.5 | -15.8 | 0 | 0 | 112.2 | L68 Q69 Q70 | L68-Q72 WeakPolarHBondContact O-CG 3.46Å; L68-Q72 PolarHBondContact O-N 2.81Å; L68-Q72 VanDerWaalsContact O-N 3.1Å; Q69-Q72 PolarHBondContact O-N 2.88Å; Q70-Q72 VanDerWaalsContact C-N 3.33Å; Q70-Q72 PolarHBondContact O-N 2.88Å |
| 73 | N | 62.8 | Low | 65.9 | Low | 138 Ų | 138 | 116.3 Ų | 116.3 | 74% | 0.738 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -79.3 | -26.9 | 179.7 | -66.4 | -18.1 | 0 | 0 | 0 | 113.7 | Q69 Q70 R71 | Q69-N73 VanDerWaalsContact O-CG 3.28Å; Q69-N73 PolarHBondContact O-N 3.03Å; Q69-N73 PolarHBondContact O-ND2 2.84Å; Q70-N73 PolarHBondContact O-N 3.06Å; Q70-N73 VanDerWaalsContact O-N 3.1Å; R71-N73 VanDerWaalsContact C-N 3.27Å; R71-N73 PolarHBondContact O-N 2.74Å |
| 74 | Q | 60.8 | Low | 63.9 | Low | 156 Ų | 156 | 119 Ų | 119 | 73% | 0.729 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -95.2 | -27.8 | -174.7 | -72.7 | 176.9 | 2.1 | 0 | 0 | 114.9 | Q70 R71 G76 | Q70-Q74 PolarHBondContact O-N 3Å; Q70-Q74 VanDerWaalsContact O-N 3.09Å; R71-Q74 PolarHBondContact O-N 2.81Å; Q74-G76 PolarHBondContact O-N 2.93Å |
| 75 | T | 55 | Low | 62.2 | Low | 104 Ų | 104 | 122.4 Ų | 122.4 | 64% | 0.638 | 65% | 0.652 | S | S | * | * | trans | -85.6 | 73.2 | -176.8 | 49.4 | 0 | 0 | 0 | 0 | 112.3 | R71 T77 | R71-T75 PolarHBondContact O-N 2.92Å; R71-T75 PolarHBondContact O-OG1 3.49Å; T75-T77 VanDerWaalsContact C-N 3.3Å; T75-T77 PolarHBondContact O-N 3.46Å | ||
| 76 | G | 54.9 | Low | 61.1 | Low | 78 Ų | 78 | 124.1 Ų | 124.1 | 80% | 0.804 | 67% | 0.665 | S | S | * | * | trans | -66.5 | 74.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q74 | Q74-G76 PolarHBondContact O-N 2.93Š| ||
| 77 | T | 41.2 | Very low | 60.5 | Low | 121 Ų | 121 | 131.2 Ų | 131.2 | 74% | 0.742 | 70% | 0.695 | S | S | * | * | trans | -98 | 129.3 | 164.5 | -60 | 0 | 0 | 0 | 0 | 110.1 | T75 V79 | T75-T77 VanDerWaalsContact C-N 3.3Å; T75-T77 PolarHBondContact O-N 3.46Å; T77-V79 VanDerWaalsContact C-N 3.29Å; T77-V79 PolarHBondContact O-N 2.93Å | ||
| 78 | T | 47 | Very low | 60.6 | Low | 140 Ų | 140 | 133.4 Ų | 133.4 | 86% | 0.859 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -71.6 | 59.5 | -169 | 49.9 | 0 | 0 | 0 | 0 | 114.9 | ||
| 79 | V | 45.8 | Very low | 61.1 | Low | 126 Ų | 126 | 131.3 Ų | 131.3 | 76% | 0.764 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -113 | 110.3 | 147.8 | 179 | 0 | 0 | 0 | 0 | 105.2 | T77 L81 | T77-V79 VanDerWaalsContact C-N 3.29Å; T77-V79 PolarHBondContact O-N 2.93Å; V79-L81 PolarHBondContact O-N 2.9Å |
| 80 | R | 46 | Very low | 61.8 | Low | 243 Ų | 243 | 134.3 Ų | 134.3 | 92% | 0.917 | 71% | 0.707 | S | S | * | * | trans | -59.8 | 85.8 | 177.3 | -67.9 | -174.6 | 172.3 | -166.3 | -1.8 | 110.2 | ||||
| 81 | L | 47 | Very low | 62.6 | Low | 154 Ų | 154 | 132.8 Ų | 132.8 | 81% | 0.806 | 71% | 0.711 | S | S | * | * | trans | -111.5 | 19.5 | 150.8 | -154.9 | 64.4 | 0 | 0 | 0 | 110.9 | V79 S83 | V79-L81 PolarHBondContact O-N 2.9Å; L81-S83 PolarHBondContact O-N 2.91Å | ||
| 82 | G | 40.8 | Very low | 63.6 | Low | 69 Ų | 69 | 127 Ų | 127 | 71% | 0.711 | 70% | 0.696 | S | S | * | * | trans | -67.9 | 76.8 | 141.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 83 | S | 44.9 | Very low | 65.1 | Low | 71 Ų | 71 | 124.6 Ų | 124.6 | 50% | 0.497 | 69% | 0.688 | S | S | . | * | -82.1 | 114 | 113.1 | 69.4 | 0 | 0 | 0 | 0 | 101.8 | L81 R85 | L81-S83 PolarHBondContact O-N 2.91Å; S83-R85 PolarHBondContact O-N 3.31Å; S83-R85 WeakPolarHBondContact OG-CA 3.26Å; S83-R85 WeakPolarHBondContact OG-CB 3.34Å; S83-R85 PolarHBondContact OG-N 2.93Å | |||
| 84 | T | 49.6 | Very low | 66.7 | Low | 131 Ų | 131 | 121.7 Ų | 121.7 | 80% | 0.804 | 67% | 0.672 | S | S | * | * | -12 | 67.8 | 95.9 | 57 | 0 | 0 | 0 | 0 | 110.1 | N86 | T84-N86 PolarHBondContact O-N 2.89Š| |||
| 85 | R | 55.4 | Low | 68.4 | Low | 205 Ų | 205 | 124.2 Ų | 124.2 | 77% | 0.774 | 67% | 0.674 | S | S | * | * | trans | -65 | 98.6 | 169 | -171.5 | 178.5 | -167.7 | 172.1 | 3.1 | 98.6 | S83 E87 | S83-R85 PolarHBondContact O-N 3.31Å; S83-R85 WeakPolarHBondContact OG-CA 3.26Å; S83-R85 WeakPolarHBondContact OG-CB 3.34Å; S83-R85 PolarHBondContact OG-N 2.93Å; R85-E87 WeakPolarHBondContact O-CA 3.43Å; R85-E87 WeakPolarHBondContact O-CG 3.01Å; R85-E87 PolarHBondContact O-N 2.94Å | ||
| 86 | N | 66.1 | Low | 70.3 | Confident | 139 Ų | 139 | 123.6 Ų | 123.6 | 74% | 0.743 | 67% | 0.668 | S | S | * | * | trans | -45.2 | 101.1 | 177.9 | -122.2 | -33.6 | 0 | 0 | 0 | 103 | T84 K88 | T84-N86 PolarHBondContact O-N 2.89Å; N86-K88 WeakPolarHBondContact O-CG 3.49Å; N86-K88 PolarHBondContact O-N 3.37Å | ||
| 87 | E | 79.1 | Confident | 72.3 | Confident | 186 Ų | 186 | 121.2 Ų | 121.2 | 87% | 0.869 | 64% | 0.639 | S | S | * | * | trans | -74.5 | 91.7 | -167 | -74.1 | -164.3 | 162.7 | 0 | 0 | 102.5 | R85 S89 | R85-E87 WeakPolarHBondContact O-CA 3.43Å; R85-E87 WeakPolarHBondContact O-CG 3.01Å; R85-E87 PolarHBondContact O-N 2.94Å; E87-S89 PolarHBondContact O-N 3.32Å | ||
| 88 | K | 89.8 | Confident | 74.9 | Confident | 124 Ų | 124 | 120.5 Ų | 120.5 | 54% | 0.539 | 64% | 0.636 | S | S | . | * | trans | -63.9 | 118.9 | -174.9 | -71.7 | -175.2 | -176.4 | -178.4 | 0 | 104.5 | N86 L93 | N86-K88 WeakPolarHBondContact O-CG 3.49Å; N86-K88 PolarHBondContact O-N 3.37Å; K88-L93 HydrophobicContact CB-CD2 3.8Å; K88-L93 HydrophobicContact CB-CG 3.93Å; K88-L93 HydrophobicContact CD-CD2 4.03Å | ||
| 89 | S | 95.3 | Very high | 77.2 | Confident | 62 Ų | 62 | 117.6 Ų | 117.6 | 43% | 0.434 | 61% | 0.614 | S | S | . | * | trans | -52.2 | 154.9 | 171.7 | 63.9 | 0 | 0 | 0 | 0 | 110 | E87 A91 S92 L93 | E87-S89 PolarHBondContact O-N 3.32Å; S89-A91 PolarHBondContact O-N 2.69Å; S89-S92 WeakPolarHBondContact O-CA 3.19Å; S89-S92 VanDerWaalsContact O-CB 3.3Å; S89-S92 WeakPolarHBondContact O-CB 3.27Å; S89-S92 PolarHBondContact O-N 2.68Å; S89-S92 PolarHBondContact OG-N 2.63Å; S89-S92 PolarHBondContact OG-OG 2.78Å; S89-L93 PolarHBondContact O-N 3.24Å | ||
| 90 | F | 96.2 | Very high | 79.5 | Confident | 161 Ų | 161 | 116.4 Ų | 116.4 | 71% | 0.706 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -50.9 | -42.3 | 175.1 | 171.4 | -103.2 | 0 | 0 | 0 | 111.9 | S92 L93 L94 | F90-S92 VanDerWaalsContact C-N 3.3Å; F90-S92 PolarHBondContact O-N 2.8Å; F90-L93 PolarHBondContact O-N 3.02Å; F90-L93 VanDerWaalsContact O-N 3.13Å; F90-L94 HydrophobicContact CE1-CD2 3.97Å; F90-L94 HydrophobicContact CZ-CB 4.42Å; F90-L94 HydrophobicContact CZ-CD2 4.1Å; F90-L94 WeakPolarHBondContact O-CB 3.27Å; F90-L94 PolarHBondContact O-N 3.29Å |
| 91 | A | 96.9 | Very high | 81.9 | Confident | 64 Ų | 64 | 111 Ų | 111 | 53% | 0.529 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -58.6 | -40.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S89 R95 | S89-A91 PolarHBondContact O-N 2.69Å; A91-R95 VanDerWaalsContact O-CB 3.23Å; A91-R95 WeakPolarHBondContact O-CB 3.41Å; A91-R95 PolarHBondContact O-N 3.31Å |
| 92 | S | 96.1 | Very high | 84.2 | Confident | 46 Ų | 46 | 105.8 Ų | 105.8 | 32% | 0.322 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.2 | -38.5 | 176.1 | -58.8 | 0 | 0 | 0 | 0 | 111.9 | S89 F90 N96 | S89-S92 WeakPolarHBondContact O-CA 3.19Å; S89-S92 VanDerWaalsContact O-CB 3.3Å; S89-S92 WeakPolarHBondContact O-CB 3.27Å; S89-S92 PolarHBondContact O-N 2.68Å; S89-S92 PolarHBondContact OG-N 2.63Å; S89-S92 PolarHBondContact OG-OG 2.78Å; F90-S92 VanDerWaalsContact C-N 3.3Å; F90-S92 PolarHBondContact O-N 2.8Å; S92-N96 WeakPolarHBondContact O-CB 3.38Å; S92-N96 PolarHBondContact O-N 3.35Å; S92-N96 PolarHBondContact O-ND2 2.74Å |
| 93 | L | 96.3 | Very high | 86.8 | Confident | 99 Ų | 99 | 104.3 Ų | 104.3 | 52% | 0.518 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -69 | -47 | 176.2 | -67.2 | 175 | 0 | 0 | 0 | 111.6 | K88 S89 F90 R95 N96 S97 | K88-L93 HydrophobicContact CB-CD2 3.8Å; K88-L93 HydrophobicContact CB-CG 3.93Å; K88-L93 HydrophobicContact CD-CD2 4.03Å; S89-L93 PolarHBondContact O-N 3.24Å; F90-L93 PolarHBondContact O-N 3.02Å; F90-L93 VanDerWaalsContact O-N 3.13Å; L93-R95 PolarHBondContact O-N 3.23Å; L93-N96 CarbonylContact O-C 3.47Å; L93-N96 PolarHBondContact O-N 2.92Å; L93-S97 PolarHBondContact O-N 3.24Å |
| 94 | L | 96.3 | Very high | 89.2 | Confident | 77 Ų | 77 | 106 Ų | 106 | 40% | 0.403 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.2 | -48 | 179.8 | -178.3 | 61.5 | 0 | 0 | 0 | 110.9 | F90 N96 S97 M100 | F90-L94 HydrophobicContact CE1-CD2 3.97Å; F90-L94 HydrophobicContact CZ-CB 4.42Å; F90-L94 HydrophobicContact CZ-CD2 4.1Å; F90-L94 WeakPolarHBondContact O-CB 3.27Å; F90-L94 PolarHBondContact O-N 3.29Å; L94-N96 PolarHBondContact O-N 2.68Å; L94-S97 VanDerWaalsContact O-CB 3.31Å; L94-S97 WeakPolarHBondContact O-CB 3.33Å; L94-S97 PolarHBondContact O-N 2.81Å; L94-S97 PolarHBondContact O-OG 3.42Å; L94-M100 HydrophobicContact CD1-CG 3.8Å; L94-M100 HydrophobicContact CD1-SD 4.31Å; L94-M100 HydrophobicContact CG-CG 4.08Å; L94-M100 WeakPolarHBondContact O-CB 3.33Å; L94-M100 WeakPolarHBondContact O-CG 3.37Å |
| 95 | R | 96.4 | Very high | 91.4 | Very high | 208 Ų | 208 | 100.5 Ų | 100.5 | 79% | 0.785 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.2 | -29.6 | 178.9 | -171.3 | 173.9 | -177.9 | 178.2 | 1.2 | 113.4 | A91 L93 | A91-R95 VanDerWaalsContact O-CB 3.23Å; A91-R95 WeakPolarHBondContact O-CB 3.41Å; A91-R95 PolarHBondContact O-N 3.31Å; L93-R95 PolarHBondContact O-N 3.23Å |
| 96 | N | 96.3 | Very high | 93.4 | Very high | 92 Ų | 92 | 96.5 Ų | 96.5 | 49% | 0.492 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 8.3 | 178.2 | -67.3 | -58.3 | 0 | 0 | 0 | 113.4 | S92 L93 L94 Q101 | S92-N96 WeakPolarHBondContact O-CB 3.38Å; S92-N96 PolarHBondContact O-N 3.35Å; S92-N96 PolarHBondContact O-ND2 2.74Å; L93-N96 CarbonylContact O-C 3.47Å; L93-N96 PolarHBondContact O-N 2.92Å; L94-N96 PolarHBondContact O-N 2.68Å; N96-Q101 PolarHBondContact O-NE2 3.39Å |
| 97 | S | 96.2 | Very high | 94.8 | Very high | 28 Ų | 28 | 93.4 Ų | 93.4 | 20% | 0.196 | 49% | 0.492 | C | S | . | . | S | Bend | trans | -76.2 | 146 | 179.7 | 70.3 | 0 | 0 | 0 | 0 | 111.2 | L93 L94 L99 M100 Q101 | L93-S97 PolarHBondContact O-N 3.24Å; L94-S97 VanDerWaalsContact O-CB 3.31Å; L94-S97 WeakPolarHBondContact O-CB 3.33Å; L94-S97 PolarHBondContact O-N 2.81Å; L94-S97 PolarHBondContact O-OG 3.42Å; S97-L99 PolarHBondContact O-N 2.64Å; S97-M100 PolarHBondContact O-N 2.99Å; S97-M100 VanDerWaalsContact O-N 3.15Å; S97-M100 WeakPolarHBondContact OG-CB 3.24Å; S97-M100 VanDerWaalsContact OG-CG 3.29Å; S97-M100 WeakPolarHBondContact OG-CG 3.43Å; S97-M100 PolarHBondContact OG-N 3.02Å; S97-Q101 WeakPolarHBondContact O-CG 3.36Å; S97-Q101 PolarHBondContact O-N 3.22Å |
| 98 | P | 95.9 | Very high | 95.6 | Very high | 105 Ų | 105 | 88.5 Ų | 88.5 | 68% | 0.682 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -57.3 | -35.7 | 178.8 | -26.7 | 35.1 | 0 | 0 | 0 | 113.4 | Q101 M102 | P98-Q101 PolarHBondContact O-N 3.15Å; P98-M102 WeakPolarHBondContact O-CB 3.47Å; P98-M102 PolarHBondContact O-N 3.15Å |
| 99 | L | 94.4 | Very high | 96 | Very high | 79 Ų | 79 | 88.7 Ų | 88.7 | 41% | 0.414 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.2 | -44.6 | 178.4 | -175.6 | 66.6 | 0 | 0 | 0 | 111.6 | S97 M102 L157 | S97-L99 PolarHBondContact O-N 2.64Å; L99-M102 HydrophobicContact CD1-CE 4.24Å; L99-L157 HydrophobicContact CD1-CD1 4.08Å |
| 100 | M | 95.7 | Very high | 96 | Very high | 101 Ų | 101 | 87.1 Ų | 87.1 | 50% | 0.498 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -72 | -35.5 | 176.8 | -66.6 | -65 | 93.2 | 0 | 0 | 112.3 | L94 S97 M102 | L94-M100 HydrophobicContact CD1-CG 3.8Å; L94-M100 HydrophobicContact CD1-SD 4.31Å; L94-M100 HydrophobicContact CG-CG 4.08Å; L94-M100 WeakPolarHBondContact O-CB 3.33Å; L94-M100 WeakPolarHBondContact O-CG 3.37Å; S97-M100 PolarHBondContact O-N 2.99Å; S97-M100 VanDerWaalsContact O-N 3.15Å; S97-M100 WeakPolarHBondContact OG-CB 3.24Å; S97-M100 VanDerWaalsContact OG-CG 3.29Å; S97-M100 WeakPolarHBondContact OG-CG 3.43Å; S97-M100 PolarHBondContact OG-N 3.02Å; M100-M102 VanDerWaalsContact C-N 3.32Å; M100-M102 PolarHBondContact O-N 2.71Å |
| 101 | Q | 95.8 | Very high | 96.1 | Very high | 129 Ų | 129 | 83.5 Ų | 83.5 | 60% | 0.603 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -69.5 | -28.2 | 177.6 | -71.5 | 176.2 | -9.8 | 0 | 0 | 113.2 | N96 S97 P98 G103 | N96-Q101 PolarHBondContact O-NE2 3.39Å; S97-Q101 WeakPolarHBondContact O-CG 3.36Å; S97-Q101 PolarHBondContact O-N 3.22Å; P98-Q101 PolarHBondContact O-N 3.15Å; Q101-G103 VanDerWaalsContact C-N 3.31Å; Q101-G103 PolarHBondContact O-N 2.95Å |
| 102 | M | 95.1 | Very high | 96.1 | Very high | 46 Ų | 46 | 80.6 Ų | 80.6 | 23% | 0.227 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -65 | -33.6 | 178.7 | -176.9 | -179 | 70.6 | 0 | 0 | 112.8 | P98 L99 M100 A105 K108 V110 L154 | P98-M102 WeakPolarHBondContact O-CB 3.47Å; P98-M102 PolarHBondContact O-N 3.15Å; L99-M102 HydrophobicContact CD1-CE 4.24Å; M100-M102 VanDerWaalsContact C-N 3.32Å; M100-M102 PolarHBondContact O-N 2.71Å; M102-A105 HydrophobicContact CE-CB 3.97Å; M102-K108 HydrophobicContact CG-CB 4.31Å; M102-K108 HydrophobicContact CG-CD 4.33Å; M102-K108 HydrophobicContact CG-CG 3.93Å; M102-K108 WeakPolarHBondContact O-CE 3.42Å; M102-K108 HydrophobicContact SD-CB 3.98Å; M102-K108 HydrophobicContact SD-CG 4.14Å; M102-V110 HydrophobicContact SD-CG1 4.1Å; M102-L154 HydrophobicContact CE-CD1 4.23Å; M102-L154 HydrophobicContact SD-CD1 4.17Å |
| 103 | G | 95.4 | Very high | 96.2 | Very high | 38 Ų | 38 | 84.1 Ų | 84.1 | 39% | 0.392 | 43% | 0.433 | S | S | . | . | trans | 74.3 | -148.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q101 A105 | Q101-G103 VanDerWaalsContact C-N 3.31Å; Q101-G103 PolarHBondContact O-N 2.95Å; G103-A105 PolarHBondContact O-N 3.23Å | ||
| 104 | P | 96.1 | Very high | 96.2 | Very high | 107 Ų | 107 | 79.4 Ų | 79.4 | 70% | 0.695 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -55.3 | 133.9 | 177.9 | -24.5 | 34 | 0 | 0 | 0 | 111.8 | K108 | P104-K108 WeakPolarHBondContact O-CE 3.04Å; P104-K108 WeakPolarHBondContact O-CG 3.18Å |
| 105 | A | 95 | Very high | 96.3 | Very high | 14 Ų | 14 | 79.7 Ų | 79.7 | 12% | 0.116 | 41% | 0.407 | C | S | . | . | trans | -77.6 | -25.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | M102 G103 D107 K108 L154 L157 | M102-A105 HydrophobicContact CE-CB 3.97Å; G103-A105 PolarHBondContact O-N 3.23Å; A105-D107 PolarHBondContact O-N 3.03Å; A105-K108 VanDerWaalsContact O-CB 3.27Å; A105-K108 WeakPolarHBondContact O-CB 3.32Å; A105-K108 VanDerWaalsContact O-CG 3.27Å; A105-K108 WeakPolarHBondContact O-CG 3.38Å; A105-K108 PolarHBondContact O-N 3.35Å; A105-L154 HydrophobicContact CB-CB 4.5Å; A105-L154 HydrophobicContact CB-CD1 4.38Å; A105-L154 VanDerWaalsContact O-CB 3.3Å; A105-L154 WeakPolarHBondContact O-CB 3.36Å; A105-L157 HydrophobicContact CB-CD1 3.93Å; A105-L157 HydrophobicContact CB-CD2 3.88Å; A105-L157 HydrophobicContact CB-CG 3.54Å | ||
| 106 | K | 96.3 | Very high | 96.4 | Very high | 121 Ų | 121 | 73.7 Ų | 73.7 | 53% | 0.526 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 129.6 | -178.9 | -173.8 | 171.5 | 178.4 | 117.1 | 0 | 111.6 | K108 E155 | K106-K108 PolarHBondContact O-N 3.05Å; K106-E155 WeakPolarHBondContact CA-O 3.5Å; K106-E155 WeakPolarHBondContact CE-OE1 3.34Å; K106-E155 IonicContact NZ-OE1 3.99Å; K106-E155 PolarHBondContact NZ-OE1 3Å |
| 107 | D | 96.3 | Very high | 96.5 | Very high | 74 Ų | 74 | 71.4 Ų | 71.4 | 40% | 0.396 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 17.2 | -179.8 | -56.6 | -36.8 | 0 | 0 | 0 | 115.5 | A105 R153 L154 | A105-D107 PolarHBondContact O-N 3.03Å; D107-R153 IonicContact OD1-CZ 2.72Å; D107-R153 IonicContact OD1-NE 3.82Å; D107-R153 PolarHBondContact OD1-NE 3.09Å; D107-R153 IonicContact OD1-NH2 2.67Å; D107-R153 PolarHBondContact OD1-NH2 2.83Å; D107-R153 IonicContact OD2-NH2 3.61Å; D107-L154 PolarHBondContact N-O 3.21Å |
| 108 | K | 96.5 | Very high | 96.5 | Very high | 83 Ų | 83 | 73.3 Ų | 73.3 | 36% | 0.361 | 38% | 0.382 | S | S | . | . | trans | -82.8 | 134.2 | 176.3 | -61.1 | -60.8 | -177.1 | -171.6 | 0 | 111.4 | M102 P104 A105 K106 R153 L154 | M102-K108 HydrophobicContact CG-CB 4.31Å; M102-K108 HydrophobicContact CG-CD 4.33Å; M102-K108 HydrophobicContact CG-CG 3.93Å; M102-K108 WeakPolarHBondContact O-CE 3.42Å; M102-K108 HydrophobicContact SD-CB 3.98Å; M102-K108 HydrophobicContact SD-CG 4.14Å; P104-K108 WeakPolarHBondContact O-CE 3.04Å; P104-K108 WeakPolarHBondContact O-CG 3.18Å; A105-K108 VanDerWaalsContact O-CB 3.27Å; A105-K108 WeakPolarHBondContact O-CB 3.32Å; A105-K108 VanDerWaalsContact O-CG 3.27Å; A105-K108 WeakPolarHBondContact O-CG 3.38Å; A105-K108 PolarHBondContact O-N 3.35Å; K106-K108 PolarHBondContact O-N 3.05Å; K108-R153 WeakPolarHBondContact O-CA 3.25Å; K108-L154 PolarHBondContact O-N 3.16Å | ||
| 109 | M | 96.8 | Very high | 96.5 | Very high | 129 Ų | 129 | 76.8 Ų | 76.8 | 64% | 0.635 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 119.7 | 175.3 | -63.5 | -64.9 | -174.2 | 0 | 0 | 110 | L152 R153 L180 | M109-L152 CarbonylContact C-O 3.6Å; M109-L152 WeakPolarHBondContact CA-O 3.16Å; M109-R153 HydrophobicContact CE-CB 4.4Å; M109-R153 HydrophobicContact SD-CB 3.96Å; M109-L180 HydrophobicContact CE-CD1 3.61Å; M109-L180 HydrophobicContact SD-CD1 3.29Å; M109-L180 WeakPolarHBondContact SD-CD1 3.33Å |
| 110 | V | 96.9 | Very high | 96.5 | Very high | 28 Ų | 28 | 77.8 Ų | 77.8 | 17% | 0.17 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 165.6 | 178.9 | -56.8 | 0 | 0 | 0 | 0 | 111.8 | M102 F126 L152 L154 | M102-V110 HydrophobicContact SD-CG1 4.1Å; V110-F126 HydrophobicContact CG2-CB 4.05Å; V110-F126 HydrophobicContact CG2-CD2 4.11Å; V110-F126 HydrophobicContact CG2-CG 4.14Å; V110-L152 HydrophobicContact CG2-CB 3.9Å; V110-L152 HydrophobicContact CG2-CD1 4.42Å; V110-L152 PolarHBondContact N-O 3.31Å; V110-L152 PolarHBondContact O-N 3Å; V110-L154 HydrophobicContact CB-CD1 4.42Å; V110-L154 HydrophobicContact CG1-CD1 3.62Å; V110-L154 HydrophobicContact CG1-CG 4.08Å; V110-L154 HydrophobicContact CG2-CD1 3.93Å; V110-L154 HydrophobicContact CG2-CD2 3.69Å; V110-L154 HydrophobicContact CG2-CG 3.67Å |
| 111 | I | 97.1 | Very high | 96.6 | Very high | 86 Ų | 86 | 74.8 Ų | 74.8 | 44% | 0.441 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 117.6 | 179.6 | -58.5 | -180 | 0 | 0 | 0 | 108.5 | R149 V150 I183 | I111-R149 HydrophobicContact CG2-CB 4.5Å; I111-V150 WeakPolarHBondContact CA-O 3.38Å; I111-I183 HydrophobicContact CB-CD1 3.92Å; I111-I183 HydrophobicContact CD1-CD1 3.86Å; I111-I183 HydrophobicContact CG1-CD1 3.61Å; I111-I183 HydrophobicContact CG2-CD1 3.31Å |
| 112 | G | 97.3 | Very high | 96.7 | Very high | 2 Ų | 2 | 68.7 Ų | 68.7 | 2% | 0.021 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 164.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | D125 R149 V150 | G112-D125 CarbonylContact C-O 3.56Å; G112-D125 VanDerWaalsContact CA-O 3.24Å; G112-D125 WeakPolarHBondContact CA-O 3.35Å; G112-R149 CarbonylContact O-C 3.58Å; G112-R149 VanDerWaalsContact O-CA 3.29Å; G112-R149 WeakPolarHBondContact O-CA 3.39Å; G112-V150 PolarHBondContact N-O 3.35Å; G112-V150 PolarHBondContact O-N 2.91Å |
| 113 | K | 97.8 | Very high | 96.8 | Very high | 120 Ų | 120 | 69.3 Ų | 69.3 | 52% | 0.522 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 127.8 | 171.1 | -175.5 | -179.7 | 179.3 | -177.8 | 0 | 109.2 | F115 D125 S148 | K113-F115 PolarHBondContact O-N 2.99Å; K113-D125 PolarHBondContact N-O 3.49Å; K113-D125 PolarHBondContact O-N 2.82Å; K113-S148 WeakPolarHBondContact CA-O 3.07Å |
| 114 | I | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 119.9 | 176 | -50.3 | 179.9 | 0 | 0 | 0 | 108.3 | I117 L122 Y123 I124 Y144 G147 S148 V150 | I114-I117 HydrophobicContact CG2-CD1 4.05Å; I114-I117 HydrophobicContact CG2-CG1 3.67Å; I114-L122 HydrophobicContact CD1-CD1 4.31Å; I114-Y123 WeakPolarHBondContact CA-O 3.38Å; I114-I124 HydrophobicContact CG1-CG1 4.22Å; I114-Y144 HydrophobicContact CD1-CD1 4.05Å; I114-G147 WeakPolarHBondContact O-CA 3.47Å; I114-G147 PolarHBondContact O-N 2.97Å; I114-S148 PolarHBondContact N-O 3.4Å; I114-V150 HydrophobicContact CD1-CG1 4.06Å; I114-V150 HydrophobicContact CG1-CG1 4.2Å; I114-V150 HydrophobicContact CG1-CG2 4.5Å |
| 115 | F | 97.8 | Very high | 97.1 | Very high | 84 Ų | 84 | 66 Ų | 66 | 37% | 0.368 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | -24.2 | 179.3 | 74.4 | -91.3 | 0 | 0 | 0 | 113.3 | K113 Y123 D125 H131 R146 | K113-F115 PolarHBondContact O-N 2.99Å; F115-Y123 WeakPolarHBondContact CD1-O 3.22Å; F115-Y123 HydrophobicContact CZ-CD1 4.17Å; F115-Y123 HydrophobicContact CZ-CG 4.34Å; F115-Y123 PolarHBondContact N-O 3.38Å; F115-D125 HydrophobicContact CD1-CB 3.89Å; F115-D125 HydrophobicContact CE1-CB 4.32Å; F115-H131 HydrophobicContact CE1-CB 3.77Å; F115-H131 AromaticContact CE1-CG 3.97Å; F115-H131 HydrophobicContact CZ-CB 4.35Å; F115-R146 WeakPolarHBondContact O-CG 3.48Å; F115-R146 PolarHBondContact O-NE 3.13Å |
| 116 | H | 97.9 | Very high | 97.2 | Very high | 82 Ų | 82 | 66.8 Ų | 66.8 | 38% | 0.38 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 148.6 | 178.2 | -167 | -114.4 | 0 | 0 | 0 | 110.9 | I118 Y123 | H116-I118 WeakPolarHBondContact CE1-CG1 3.43Å; H116-I118 VanDerWaalsContact ND1-CG1 3.32Å; H116-I118 WeakPolarHBondContact ND1-CG1 3.3Å; H116-Y123 HydrophobicContact CB-CD2 4.4Å; H116-Y123 HydrophobicContact CB-CG 4.25Å; H116-Y123 WeakPolarHBondContact O-CB 3.42Å; H116-Y123 PolarHBondContact O-N 3.05Å |
| 117 | I | 97.6 | Very high | 97.2 | Very high | 43 Ų | 43 | 64.3 Ų | 64.3 | 22% | 0.221 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 122.5 | 180 | -61.2 | 178.6 | 0 | 0 | 0 | 107.3 | I114 D121 L122 Y144 | I114-I117 HydrophobicContact CG2-CD1 4.05Å; I114-I117 HydrophobicContact CG2-CG1 3.67Å; I117-D121 WeakPolarHBondContact CA-O 3.36Å; I117-L122 HydrophobicContact CD1-CD2 4.06Å; I117-L122 HydrophobicContact CG1-CD2 3.9Å; I117-L122 HydrophobicContact CG2-CD2 4.07Å; I117-Y144 WeakPolarHBondContact CD1-O 3.19Å |
| 118 | I | 97.4 | Very high | 97.2 | Very high | 68 Ų | 68 | 61.9 Ų | 61.9 | 35% | 0.349 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 106.1 | 175.7 | -55.7 | -178 | 0 | 0 | 0 | 107.5 | H116 D120 D121 Y123 | H116-I118 WeakPolarHBondContact CE1-CG1 3.43Å; H116-I118 VanDerWaalsContact ND1-CG1 3.32Å; H116-I118 WeakPolarHBondContact ND1-CG1 3.3Å; I118-D120 PolarHBondContact O-N 2.98Å; I118-D121 PolarHBondContact N-O 2.87Å; I118-D121 WeakPolarHBondContact O-CB 3.2Å; I118-D121 PolarHBondContact O-N 2.75Å; I118-Y123 HydrophobicContact CB-CE2 4.16Å; I118-Y123 HydrophobicContact CD1-CD2 4.42Å; I118-Y123 HydrophobicContact CD1-CE2 3.52Å; I118-Y123 HydrophobicContact CG1-CD2 4.28Å; I118-Y123 HydrophobicContact CG1-CE2 3.7Å |
| 119 | K | 95.1 | Very high | 97.2 | Very high | 179 Ų | 179 | 65.4 Ų | 65.4 | 78% | 0.778 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | -111.7 | -174.8 | -54.9 | 174.8 | -179.2 | 177 | 0 | 109.9 | R136 | K119-R136 PolarHBondContact O-NH2 2.9Š|
| 120 | D | 95.1 | Very high | 97.3 | Very high | 99 Ų | 99 | 60.7 Ų | 60.7 | 53% | 0.529 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -2.7 | 179.3 | -57.9 | -40.7 | 0 | 0 | 0 | 113.3 | I118 K135 R136 | I118-D120 PolarHBondContact O-N 2.98Å; D120-K135 CarbonylContact O-C 3.52Å; D120-R136 HydrophobicContact CB-CB 4.37Å; D120-R136 WeakPolarHBondContact O-CB 3.31Å; D120-R136 PolarHBondContact O-N 3.47Å |
| 121 | D | 97.1 | Very high | 97.3 | Very high | 39 Ų | 39 | 61.8 Ų | 61.8 | 21% | 0.209 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 124.4 | 179.2 | -66.9 | -49.5 | 0 | 0 | 0 | 111.1 | I117 I118 Y123 V133 K135 | I117-D121 WeakPolarHBondContact CA-O 3.36Å; I118-D121 PolarHBondContact N-O 2.87Å; I118-D121 WeakPolarHBondContact O-CB 3.2Å; I118-D121 PolarHBondContact O-N 2.75Å; D121-Y123 HydrophobicContact CB-CE2 4.31Å; D121-V133 HydrophobicContact CB-CG1 3.95Å; D121-K135 VanDerWaalsContact CG-NZ 3.29Å; D121-K135 WeakPolarHBondContact OD1-CD 3.23Å; D121-K135 WeakPolarHBondContact OD1-CE 3.16Å; D121-K135 IonicContact OD1-NZ 3.8Å; D121-K135 PolarHBondContact OD1-NZ 3.48Å; D121-K135 IonicContact OD2-NZ 3.1Å; D121-K135 PolarHBondContact OD2-NZ 3.1Å; D121-K135 VanDerWaalsContact OD2-NZ 3.15Å |
| 122 | L | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 116.3 | 179.5 | -53.2 | 178.7 | 0 | 0 | 0 | 108.8 | I114 I117 I124 V133 C134 R136 Y144 L179 | I114-L122 HydrophobicContact CD1-CD1 4.31Å; I117-L122 HydrophobicContact CD1-CD2 4.06Å; I117-L122 HydrophobicContact CG1-CD2 3.9Å; I117-L122 HydrophobicContact CG2-CD2 4.07Å; L122-I124 HydrophobicContact CB-CD1 4.21Å; L122-I124 HydrophobicContact CB-CG1 4.15Å; L122-V133 WeakPolarHBondContact O-CA 3.37Å; L122-C134 WeakPolarHBondContact CB-O 3.29Å; L122-C134 PolarHBondContact N-O 3.09Å; L122-C134 PolarHBondContact O-N 3.18Å; L122-R136 HydrophobicContact CD1-CB 4.35Å; L122-R136 HydrophobicContact CD2-CB 4.45Å; L122-R136 HydrophobicContact CG-CB 4.34Å; L122-Y144 HydrophobicContact CD1-CD1 3.93Å; L122-Y144 HydrophobicContact CD1-CG 4.16Å; L122-L179 HydrophobicContact CD1-CD2 3.81Å |
| 123 | Y | 98.3 | Very high | 97.4 | Very high | 59 Ų | 59 | 59.8 Ų | 59.8 | 23% | 0.231 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 116.1 | 174.5 | -70.9 | -106 | 0 | 0 | 0 | 109.4 | I114 F115 H116 I118 D121 H131 V133 | I114-Y123 WeakPolarHBondContact CA-O 3.38Å; F115-Y123 WeakPolarHBondContact CD1-O 3.22Å; F115-Y123 HydrophobicContact CZ-CD1 4.17Å; F115-Y123 HydrophobicContact CZ-CG 4.34Å; F115-Y123 PolarHBondContact N-O 3.38Å; H116-Y123 HydrophobicContact CB-CD2 4.4Å; H116-Y123 HydrophobicContact CB-CG 4.25Å; H116-Y123 WeakPolarHBondContact O-CB 3.42Å; H116-Y123 PolarHBondContact O-N 3.05Å; I118-Y123 HydrophobicContact CB-CE2 4.16Å; I118-Y123 HydrophobicContact CD1-CD2 4.42Å; I118-Y123 HydrophobicContact CD1-CE2 3.52Å; I118-Y123 HydrophobicContact CG1-CD2 4.28Å; I118-Y123 HydrophobicContact CG1-CE2 3.7Å; D121-Y123 HydrophobicContact CB-CE2 4.31Å; Y123-H131 AromaticContact CD1-CD2 3.51Å; Y123-H131 AromaticContact CD1-NE2 3.33Å; Y123-H131 VanDerWaalsContact CD1-NE2 3.33Å; Y123-H131 WeakPolarHBondContact CD1-NE2 3.32Å; Y123-H131 AromaticContact CE1-NE2 3.59Å; Y123-V133 HydrophobicContact CD1-CG2 3.82Å; Y123-V133 HydrophobicContact CE1-CG2 3.66Å; Y123-V133 HydrophobicContact CE2-CG1 4.47Å; Y123-V133 HydrophobicContact CG-CG2 4.36Å |
| 124 | I | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 120.2 | -167 | -46.9 | 169.1 | 0 | 0 | 0 | 109.8 | I114 L122 H131 C132 C134 V150 L152 L179 | I114-I124 HydrophobicContact CG1-CG1 4.22Å; L122-I124 HydrophobicContact CB-CD1 4.21Å; L122-I124 HydrophobicContact CB-CG1 4.15Å; I124-H131 WeakPolarHBondContact O-CA 3.33Å; I124-H131 WeakPolarHBondContact O-CB 3.48Å; I124-C132 PolarHBondContact N-O 3.36Å; I124-C132 PolarHBondContact O-N 3.47Å; I124-C134 HydrophobicContact CD1-CB 3.99Å; I124-V150 HydrophobicContact CD1-CG2 4.15Å; I124-V150 HydrophobicContact CG2-CG2 3.54Å; I124-L152 HydrophobicContact CB-CD1 4.48Å; I124-L152 HydrophobicContact CD1-CD2 3.98Å; I124-L152 HydrophobicContact CG2-CD1 3.85Å; I124-L179 HydrophobicContact CD1-CD1 4.3Å |
| 125 | D | 98.3 | Very high | 97.3 | Very high | 75 Ų | 75 | 61.2 Ų | 61.2 | 40% | 0.401 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 130.9 | 174.4 | 176.1 | 26.3 | 0 | 0 | 0 | 110.2 | G112 K113 F115 G127 | G112-D125 CarbonylContact C-O 3.56Å; G112-D125 VanDerWaalsContact CA-O 3.24Å; G112-D125 WeakPolarHBondContact CA-O 3.35Å; K113-D125 PolarHBondContact N-O 3.49Å; K113-D125 PolarHBondContact O-N 2.82Å; F115-D125 HydrophobicContact CD1-CB 3.89Å; F115-D125 HydrophobicContact CE1-CB 4.32Å; D125-G127 PolarHBondContact OD1-N 3.1Å |
| 126 | F | 97.4 | Very high | 97.2 | Very high | 32 Ų | 32 | 60.8 Ų | 60.8 | 14% | 0.14 | 31% | 0.306 | C | S | . | . | trans | -123.9 | 14.7 | 177.2 | 58.1 | -89.3 | 0 | 0 | 0 | 112.5 | V110 A128 C132 L152 L154 L157 A175 | V110-F126 HydrophobicContact CG2-CB 4.05Å; V110-F126 HydrophobicContact CG2-CD2 4.11Å; V110-F126 HydrophobicContact CG2-CG 4.14Å; F126-A128 HydrophobicContact CD2-CB 3.88Å; F126-A128 HydrophobicContact CE2-CB 3.27Å; F126-A128 HydrophobicContact CZ-CB 3.75Å; F126-C132 HydrophobicContact CE1-CB 4.23Å; F126-L152 HydrophobicContact CB-CD1 4.29Å; F126-L152 HydrophobicContact CD1-CD1 3.9Å; F126-L152 HydrophobicContact CG-CD1 4.36Å; F126-L154 HydrophobicContact CD1-CD2 4.45Å; F126-L154 HydrophobicContact CD2-CD1 4.45Å; F126-L154 HydrophobicContact CD2-CD2 4.12Å; F126-L154 HydrophobicContact CE1-CD2 4.07Å; F126-L154 HydrophobicContact CE2-CD1 4.04Å; F126-L154 HydrophobicContact CE2-CD2 3.67Å; F126-L154 HydrophobicContact CG-CD2 4.48Å; F126-L154 HydrophobicContact CZ-CD2 3.65Å; F126-L157 HydrophobicContact CE2-CD2 3.85Å; F126-L157 HydrophobicContact CZ-CD2 4.2Å; F126-A175 HydrophobicContact CE1-CB 3.93Å; F126-A175 HydrophobicContact CZ-CB 3.72Å | ||
| 127 | G | 96 | Very high | 97.1 | Very high | 69 Ų | 69 | 58.7 Ų | 58.7 | 71% | 0.711 | 30% | 0.299 | S | S | * | . | S | Bend | trans | 86.6 | 13.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | D125 | D125-G127 PolarHBondContact OD1-N 3.1Š|
| 128 | A | 95.9 | Very high | 96.9 | Very high | 22 Ų | 22 | 63.9 Ų | 63.9 | 18% | 0.182 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -88.9 | -174.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | F126 L157 | F126-A128 HydrophobicContact CD2-CB 3.88Å; F126-A128 HydrophobicContact CE2-CB 3.27Å; F126-A128 HydrophobicContact CZ-CB 3.75Å; A128-L157 HydrophobicContact CB-CD2 4.3Å |
| 129 | K | 97.1 | Very high | 96.6 | Very high | 157 Ų | 157 | 66 Ų | 66 | 68% | 0.683 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -65 | -44 | 177.4 | -179.8 | -176.3 | 169.4 | -158.1 | 0 | 111.9 | E158 | K129-E158 IonicContact NZ-OE1 3.01Å; K129-E158 IonicContact NZ-OE2 2.8Å; K129-E158 PolarHBondContact NZ-OE2 2.79Å |
| 130 | F | 98.3 | Very high | 96.3 | Very high | 30 Ų | 30 | 61.7 Ų | 61.7 | 13% | 0.132 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -114.8 | 152 | 178.6 | -60.4 | -70.7 | 0 | 0 | 0 | 111 | E158 L173 | F130-E158 HydrophobicContact CD2-CB 4.04Å; F130-E158 HydrophobicContact CD2-CG 3.79Å; F130-E158 HydrophobicContact CE2-CB 4.16Å; F130-E158 HydrophobicContact CE2-CG 3.51Å; F130-E158 WeakPolarHBondContact CE2-OE2 3.46Å; F130-E158 HydrophobicContact CZ-CG 4.49Å; F130-L173 VanDerWaalsContact CD1-C 3.47Å; F130-L173 HydrophobicContact CD1-CB 4.13Å; F130-L173 WeakPolarHBondContact CD1-O 3.44Å; F130-L173 HydrophobicContact CE1-CB 3.75Å; F130-L173 HydrophobicContact CE1-CD2 3.7Å; F130-L173 HydrophobicContact CE1-CG 4.33Å; F130-L173 HydrophobicContact CZ-CB 4.38Å; F130-L173 HydrophobicContact CZ-CD2 3.64Å |
| 131 | H | 98.3 | Very high | 96.1 | Very high | 52 Ų | 52 | 57.5 Ų | 57.5 | 24% | 0.241 | 32% | 0.315 | C | S | . | . | trans | -83.3 | 166.2 | 171.2 | 58.9 | -82.6 | 0 | 0 | 0 | 109.7 | F115 Y123 I124 A175 | F115-H131 HydrophobicContact CE1-CB 3.77Å; F115-H131 AromaticContact CE1-CG 3.97Å; F115-H131 HydrophobicContact CZ-CB 4.35Å; Y123-H131 AromaticContact CD1-CD2 3.51Å; Y123-H131 AromaticContact CD1-NE2 3.33Å; Y123-H131 VanDerWaalsContact CD1-NE2 3.33Å; Y123-H131 WeakPolarHBondContact CD1-NE2 3.32Å; Y123-H131 AromaticContact CE1-NE2 3.59Å; I124-H131 WeakPolarHBondContact O-CA 3.33Å; I124-H131 WeakPolarHBondContact O-CB 3.48Å; H131-A175 PolarHBondContact O-N 2.83Å | ||
| 132 | C | 97.9 | Very high | 95.9 | Very high | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.007 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 152.2 | 168.4 | 62.6 | 0 | 0 | 0 | 0 | 110.2 | I124 F126 L152 A175 A177 | I124-C132 PolarHBondContact N-O 3.36Å; I124-C132 PolarHBondContact O-N 3.47Å; F126-C132 HydrophobicContact CE1-CB 4.23Å; C132-L152 VanDerWaalsContact SG-CD1 3.54Å; C132-A175 WeakPolarHBondContact CA-O 3.19Å; C132-A175 HydrophobicContact CB-CB 4.34Å; C132-A175 WeakPolarHBondContact CB-O 2.96Å; C132-A177 HydrophobicContact CB-CB 4.01Å |
| 133 | V | 98 | Very high | 95.7 | Very high | 44 Ų | 44 | 69.1 Ų | 69.1 | 27% | 0.267 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 114.8 | 175.1 | -175.2 | 0 | 0 | 0 | 0 | 108.2 | D121 L122 Y123 | D121-V133 HydrophobicContact CB-CG1 3.95Å; L122-V133 WeakPolarHBondContact O-CA 3.37Å; Y123-V133 HydrophobicContact CD1-CG2 3.82Å; Y123-V133 HydrophobicContact CE1-CG2 3.66Å; Y123-V133 HydrophobicContact CE2-CG1 4.47Å; Y123-V133 HydrophobicContact CG-CG2 4.36Å |
| 134 | C | 97.2 | Very high | 95.5 | Very high | 9 Ų | 9 | 67 Ų | 67 | 6% | 0.061 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 145.3 | 177.9 | -59.1 | 0 | 0 | 0 | 0 | 110.4 | L122 I124 A177 L179 | L122-C134 WeakPolarHBondContact CB-O 3.29Å; L122-C134 PolarHBondContact N-O 3.09Å; L122-C134 PolarHBondContact O-N 3.18Å; I124-C134 HydrophobicContact CD1-CB 3.99Å; C134-A177 PolarHBondContact SG-O 3.25Å; C134-A177 VanDerWaalsContact SG-O 3.35Å; C134-L179 HydrophobicContact CB-CB 3.89Å; C134-L179 HydrophobicContact CB-CD2 4.26Å |
| 135 | K | 96.7 | Very high | 95.4 | Very high | 141 Ų | 141 | 72.1 Ų | 72.1 | 61% | 0.613 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 143.1 | 171.1 | -65.8 | -71.8 | 173.7 | -170 | 0 | 110.6 | D120 D121 P137 | D120-K135 CarbonylContact O-C 3.52Å; D121-K135 VanDerWaalsContact CG-NZ 3.29Å; D121-K135 WeakPolarHBondContact OD1-CD 3.23Å; D121-K135 WeakPolarHBondContact OD1-CE 3.16Å; D121-K135 IonicContact OD1-NZ 3.8Å; D121-K135 PolarHBondContact OD1-NZ 3.48Å; D121-K135 IonicContact OD2-NZ 3.1Å; D121-K135 PolarHBondContact OD2-NZ 3.1Å; D121-K135 VanDerWaalsContact OD2-NZ 3.15Å; K135-P137 WeakPolarHBondContact O-CD 3.39Å |
| 136 | R | 95.9 | Very high | 95.3 | Very high | 76 Ų | 76 | 77.5 Ų | 77.5 | 29% | 0.287 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 126 | 174 | -172.8 | -175.9 | -60.9 | -168 | 7.3 | 109.5 | K119 D120 L122 | K119-R136 PolarHBondContact O-NH2 2.9Å; D120-R136 HydrophobicContact CB-CB 4.37Å; D120-R136 WeakPolarHBondContact O-CB 3.31Å; D120-R136 PolarHBondContact O-N 3.47Å; L122-R136 HydrophobicContact CD1-CB 4.35Å; L122-R136 HydrophobicContact CD2-CB 4.45Å; L122-R136 HydrophobicContact CG-CB 4.34Å |
| 137 | P | 95.7 | Very high | 95.2 | Very high | 38 Ų | 38 | 77.7 Ų | 77.7 | 25% | 0.247 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 142.7 | 175.4 | -24 | 35.5 | 0 | 0 | 0 | 111.5 | K135 V139 G141 Y144 L179 | K135-P137 WeakPolarHBondContact O-CD 3.39Å; P137-V139 VanDerWaalsContact C-N 3.26Å; P137-V139 PolarHBondContact O-N 3.42Å; P137-G141 WeakPolarHBondContact O-CA 3.3Å; P137-Y144 HydrophobicContact CB-CE2 4.41Å; P137-Y144 HydrophobicContact CG-CE1 4.4Å; P137-Y144 HydrophobicContact CG-CE2 3.91Å; P137-L179 HydrophobicContact CG-CD2 3.83Å |
| 138 | T | 92.3 | Very high | 95.2 | Very high | 151 Ų | 151 | 75.9 Ų | 75.9 | 93% | 0.926 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -65 | -34.9 | 175.8 | -46.7 | 0 | 0 | 0 | 0 | 111.4 | ||
| 139 | V | 92.1 | Very high | 95.2 | Very high | 112 Ų | 112 | 81.5 Ų | 81.5 | 68% | 0.679 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | 127.4 | 176.1 | -173.8 | 0 | 0 | 0 | 0 | 108.7 | P137 G141 | P137-V139 VanDerWaalsContact C-N 3.26Å; P137-V139 PolarHBondContact O-N 3.42Å; V139-G141 PolarHBondContact O-N 2.87Å; V139-G141 VanDerWaalsContact O-N 3.15Å |
| 140 | D | 88.3 | Confident | 95.2 | Very high | 89 Ų | 89 | 74 Ų | 74 | 48% | 0.476 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 27.7 | 175 | -71.5 | -29.6 | 0 | 0 | 0 | 115.5 | E142 K143 Y144 | D140-E142 PolarHBondContact O-N 3.18Å; D140-K143 HydrophobicContact CB-CD 3.9Å; D140-K143 HydrophobicContact CB-CG 4.3Å; D140-K143 VanDerWaalsContact CG-CE 3.49Å; D140-K143 WeakPolarHBondContact O-CB 3.45Å; D140-K143 PolarHBondContact O-N 3.29Å; D140-K143 IonicContact OD1-NZ 2.81Å; D140-K143 PolarHBondContact OD1-NZ 2.86Å; D140-K143 IonicContact OD2-NZ 2.68Å; D140-K143 PolarHBondContact OD2-NZ 2.99Å; D140-Y144 WeakPolarHBondContact O-CD2 3.32Å |
| 141 | G | 91.4 | Very high | 95.1 | Very high | 11 Ų | 11 | 77.6 Ų | 77.6 | 11% | 0.113 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -54.9 | -27.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | P137 V139 K143 Y144 | P137-G141 WeakPolarHBondContact O-CA 3.3Å; V139-G141 PolarHBondContact O-N 2.87Å; V139-G141 VanDerWaalsContact O-N 3.15Å; G141-K143 PolarHBondContact O-N 2.87Å; G141-Y144 PolarHBondContact O-N 3.29Å |
| 142 | E | 91.9 | Very high | 95.1 | Very high | 169 Ų | 169 | 75.1 Ų | 75.1 | 79% | 0.79 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -65.3 | -24.5 | 178.1 | -60.6 | -177.1 | 175.6 | 0 | 0 | 113.7 | D140 Y144 Q145 | D140-E142 PolarHBondContact O-N 3.18Å; E142-Y144 VanDerWaalsContact C-N 3.28Å; E142-Y144 PolarHBondContact O-N 3.35Å; E142-Q145 WeakPolarHBondContact O-CG 3.32Å; E142-Q145 PolarHBondContact O-NE2 3.08Å |
| 143 | K | 93.9 | Very high | 95.1 | Very high | 115 Ų | 115 | 79.7 Ų | 79.7 | 50% | 0.5 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -76.9 | -17.7 | 180 | -57.9 | -178.5 | -169.6 | 165.9 | 0 | 112.3 | D140 G141 Q145 S148 L182 | D140-K143 HydrophobicContact CB-CD 3.9Å; D140-K143 HydrophobicContact CB-CG 4.3Å; D140-K143 VanDerWaalsContact CG-CE 3.49Å; D140-K143 WeakPolarHBondContact O-CB 3.45Å; D140-K143 PolarHBondContact O-N 3.29Å; D140-K143 IonicContact OD1-NZ 2.81Å; D140-K143 PolarHBondContact OD1-NZ 2.86Å; D140-K143 IonicContact OD2-NZ 2.68Å; D140-K143 PolarHBondContact OD2-NZ 2.99Å; G141-K143 PolarHBondContact O-N 2.87Å; K143-Q145 PolarHBondContact O-N 3.46Å; K143-S148 PolarHBondContact O-OG 3.27Å; K143-L182 HydrophobicContact CB-CD1 3.29Å; K143-L182 HydrophobicContact CD-CD1 4.25Å; K143-L182 HydrophobicContact CG-CD1 4.4Å |
| 144 | Y | 95.6 | Very high | 95.1 | Very high | 14 Ų | 14 | 77.7 Ų | 77.7 | 6% | 0.055 | 37% | 0.373 | C | S | . | . | trans | -84.3 | 79.1 | 179 | -66.3 | -93.8 | 0 | 0 | 0 | 110.3 | I114 I117 L122 P137 D140 G141 E142 V150 L179 L182 | I114-Y144 HydrophobicContact CD1-CD1 4.05Å; I117-Y144 WeakPolarHBondContact CD1-O 3.19Å; L122-Y144 HydrophobicContact CD1-CD1 3.93Å; L122-Y144 HydrophobicContact CD1-CG 4.16Å; P137-Y144 HydrophobicContact CB-CE2 4.41Å; P137-Y144 HydrophobicContact CG-CE1 4.4Å; P137-Y144 HydrophobicContact CG-CE2 3.91Å; D140-Y144 WeakPolarHBondContact O-CD2 3.32Å; G141-Y144 PolarHBondContact O-N 3.29Å; E142-Y144 VanDerWaalsContact C-N 3.28Å; E142-Y144 PolarHBondContact O-N 3.35Å; Y144-V150 HydrophobicContact CD1-CG1 3.99Å; Y144-V150 HydrophobicContact CE1-CG1 3.89Å; Y144-L179 HydrophobicContact CD1-CD2 4.18Å; Y144-L179 HydrophobicContact CE1-CD1 4.13Å; Y144-L179 HydrophobicContact CE1-CD2 3.77Å; Y144-L179 HydrophobicContact CE1-CG 4.24Å; Y144-L182 HydrophobicContact CD1-CD1 4.44Å; Y144-L182 HydrophobicContact CD1-CD2 3.83Å; Y144-L182 HydrophobicContact CD1-CG 4.03Å; Y144-L182 HydrophobicContact CD2-CD1 4.09Å; Y144-L182 HydrophobicContact CD2-CG 4.49Å; Y144-L182 HydrophobicContact CE1-CD1 4.22Å; Y144-L182 HydrophobicContact CE1-CD2 3.86Å; Y144-L182 HydrophobicContact CE1-CG 3.61Å; Y144-L182 HydrophobicContact CE2-CD1 3.85Å; Y144-L182 HydrophobicContact CE2-CG 4.13Å; Y144-L182 HydrophobicContact CG-CD1 4.39Å; Y144-L182 HydrophobicContact CG-CD2 4.33Å; Y144-L182 HydrophobicContact CG-CG 4.45Å | ||
| 145 | Q | 95.1 | Very high | 95.1 | Very high | 107 Ų | 107 | 79.1 Ų | 79.1 | 50% | 0.5 | 38% | 0.379 | S | S | . | . | trans | -102.4 | 163.2 | 178.2 | -61.8 | -62.6 | -19.7 | 0 | 0 | 111.6 | E142 K143 G147 S148 | E142-Q145 WeakPolarHBondContact O-CG 3.32Å; E142-Q145 PolarHBondContact O-NE2 3.08Å; K143-Q145 PolarHBondContact O-N 3.46Å; Q145-G147 PolarHBondContact O-N 2.92Å; Q145-S148 PolarHBondContact N-OG 3.46Å; Q145-S148 VanDerWaalsContact O-CB 3.25Å; Q145-S148 WeakPolarHBondContact O-CB 3.48Å; Q145-S148 PolarHBondContact O-N 3.32Å; Q145-S148 PolarHBondContact O-OG 3.18Å | ||
| 146 | R | 96.7 | Very high | 95.1 | Very high | 188 Ų | 188 | 76.1 Ų | 76.1 | 71% | 0.709 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 127.6 | 174.3 | -172.8 | -178.7 | -175.1 | -167.8 | -1.1 | 109.6 | F115 | F115-R146 WeakPolarHBondContact O-CG 3.48Å; F115-R146 PolarHBondContact O-NE 3.13Å |
| 147 | G | 95.6 | Very high | 95.2 | Very high | 36 Ų | 36 | 75.1 Ų | 75.1 | 37% | 0.371 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.1 | -12.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | I114 Q145 | I114-G147 WeakPolarHBondContact O-CA 3.47Å; I114-G147 PolarHBondContact O-N 2.97Å; Q145-G147 PolarHBondContact O-N 2.92Å |
| 148 | S | 95.3 | Very high | 95.3 | Very high | 31 Ų | 31 | 76.2 Ų | 76.2 | 22% | 0.217 | 37% | 0.372 | C | S | . | . | trans | -61.6 | 143.2 | 175.8 | -67.5 | 0 | 0 | 0 | 0 | 111.5 | K113 I114 K143 Q145 | K113-S148 WeakPolarHBondContact CA-O 3.07Å; I114-S148 PolarHBondContact N-O 3.4Å; K143-S148 PolarHBondContact O-OG 3.27Å; Q145-S148 PolarHBondContact N-OG 3.46Å; Q145-S148 VanDerWaalsContact O-CB 3.25Å; Q145-S148 WeakPolarHBondContact O-CB 3.48Å; Q145-S148 PolarHBondContact O-N 3.32Å; Q145-S148 PolarHBondContact O-OG 3.18Å | ||
| 149 | R | 96.5 | Very high | 95.5 | Very high | 140 Ų | 140 | 71 Ų | 71 | 53% | 0.528 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 135.2 | 174.7 | -62.1 | -177.3 | 74.5 | -177.1 | 4.2 | 109.8 | I111 G112 I183 | I111-R149 HydrophobicContact CG2-CB 4.5Å; G112-R149 CarbonylContact O-C 3.58Å; G112-R149 VanDerWaalsContact O-CA 3.29Å; G112-R149 WeakPolarHBondContact O-CA 3.39Å; R149-I183 HydrophobicContact CB-CB 4.31Å; R149-I183 HydrophobicContact CB-CD1 4.39Å; R149-I183 PolarHBondContact O-N 2.85Å |
| 150 | V | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 151.8 | -172.8 | -68.9 | 0 | 0 | 0 | 0 | 111.1 | I111 G112 I114 I124 Y144 L152 L179 G181 L182 | I111-V150 WeakPolarHBondContact CA-O 3.38Å; G112-V150 PolarHBondContact N-O 3.35Å; G112-V150 PolarHBondContact O-N 2.91Å; I114-V150 HydrophobicContact CD1-CG1 4.06Å; I114-V150 HydrophobicContact CG1-CG1 4.2Å; I114-V150 HydrophobicContact CG1-CG2 4.5Å; I124-V150 HydrophobicContact CD1-CG2 4.15Å; I124-V150 HydrophobicContact CG2-CG2 3.54Å; Y144-V150 HydrophobicContact CD1-CG1 3.99Å; Y144-V150 HydrophobicContact CE1-CG1 3.89Å; V150-L152 HydrophobicContact CG2-CD2 4.26Å; V150-L152 HydrophobicContact CG2-CG 4.36Å; V150-L179 HydrophobicContact CB-CD1 3.65Å; V150-L179 HydrophobicContact CG1-CD1 3.9Å; V150-L179 HydrophobicContact CG2-CD1 4.08Å; V150-G181 CarbonylContact C-O 3.53Å; V150-G181 VanDerWaalsContact CA-O 3.31Å; V150-G181 WeakPolarHBondContact CA-O 3.06Å; V150-L182 HydrophobicContact CG1-CD2 3.8Å |
| 151 | R | 97 | Very high | 96.2 | Very high | 106 Ų | 106 | 67.7 Ų | 67.7 | 40% | 0.4 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 129.1 | 169.6 | -64.3 | -171.7 | 178.2 | 147.8 | 6.5 | 109.3 | L180 G181 I183 D187 | R151-L180 HydrophobicContact CB-CB 4.21Å; R151-L180 PolarHBondContact O-N 3.47Å; R151-G181 PolarHBondContact N-O 2.56Å; R151-I183 HydrophobicContact CG-CD1 3.82Å; R151-I183 HydrophobicContact CG-CG1 3.43Å; R151-I183 VanDerWaalsContact CG-CG1 3.43Å; R151-D187 IonicContact CZ-OD2 3.15Å; R151-D187 IonicContact NH1-OD2 3.33Å; R151-D187 VanDerWaalsContact NH2-CG 3.3Å; R151-D187 IonicContact NH2-OD2 2.64Å; R151-D187 PolarHBondContact NH2-OD2 3.38Å |
| 152 | L | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 143.9 | 176.7 | -59.6 | 175.8 | 0 | 0 | 0 | 109.7 | M109 V110 I124 F126 C132 V150 A177 F178 L179 | M109-L152 CarbonylContact C-O 3.6Å; M109-L152 WeakPolarHBondContact CA-O 3.16Å; V110-L152 HydrophobicContact CG2-CB 3.9Å; V110-L152 HydrophobicContact CG2-CD1 4.42Å; V110-L152 PolarHBondContact N-O 3.31Å; V110-L152 PolarHBondContact O-N 3Å; I124-L152 HydrophobicContact CB-CD1 4.48Å; I124-L152 HydrophobicContact CD1-CD2 3.98Å; I124-L152 HydrophobicContact CG2-CD1 3.85Å; F126-L152 HydrophobicContact CB-CD1 4.29Å; F126-L152 HydrophobicContact CD1-CD1 3.9Å; F126-L152 HydrophobicContact CG-CD1 4.36Å; C132-L152 VanDerWaalsContact SG-CD1 3.54Å; V150-L152 HydrophobicContact CG2-CD2 4.26Å; V150-L152 HydrophobicContact CG2-CG 4.36Å; L152-A177 HydrophobicContact CB-CB 4.39Å; L152-F178 CarbonylContact C-O 3.57Å; L152-F178 WeakPolarHBondContact CA-O 3.27Å; L152-L179 HydrophobicContact CD2-CB 4.35Å; L152-L179 HydrophobicContact CD2-CD1 3.9Å |
| 153 | R | 97.9 | Very high | 96.7 | Very high | 97 Ų | 97 | 72.7 Ų | 72.7 | 37% | 0.366 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 116.4 | 160.9 | 174.4 | 179.9 | 167.8 | -174 | -4.2 | 107.6 | D107 K108 M109 A177 F178 L180 | D107-R153 IonicContact OD1-CZ 2.72Å; D107-R153 IonicContact OD1-NE 3.82Å; D107-R153 PolarHBondContact OD1-NE 3.09Å; D107-R153 IonicContact OD1-NH2 2.67Å; D107-R153 PolarHBondContact OD1-NH2 2.83Å; D107-R153 IonicContact OD2-NH2 3.61Å; K108-R153 WeakPolarHBondContact O-CA 3.25Å; M109-R153 HydrophobicContact CE-CB 4.4Å; M109-R153 HydrophobicContact SD-CB 3.96Å; R153-A177 CarbonylContact O-C 3.44Å; R153-A177 VanDerWaalsContact O-CA 3.26Å; R153-A177 WeakPolarHBondContact O-CA 3.36Å; R153-F178 HydrophobicContact CB-CB 4.41Å; R153-F178 PolarHBondContact N-O 3.36Å; R153-F178 PolarHBondContact O-N 3.35Å; R153-L180 HydrophobicContact CB-CD1 4.19Å; R153-L180 HydrophobicContact CB-CG 4.42Å |
| 154 | L | 97.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 76.1 Ų | 76.1 | 1% | 0.005 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 140 | 179.1 | -62.3 | -178.8 | 0 | 0 | 0 | 110.8 | M102 A105 D107 K108 V110 F126 L157 A177 | M102-L154 HydrophobicContact CE-CD1 4.23Å; M102-L154 HydrophobicContact SD-CD1 4.17Å; A105-L154 HydrophobicContact CB-CB 4.5Å; A105-L154 HydrophobicContact CB-CD1 4.38Å; A105-L154 VanDerWaalsContact O-CB 3.3Å; A105-L154 WeakPolarHBondContact O-CB 3.36Å; D107-L154 PolarHBondContact N-O 3.21Å; K108-L154 PolarHBondContact O-N 3.16Å; V110-L154 HydrophobicContact CB-CD1 4.42Å; V110-L154 HydrophobicContact CG1-CD1 3.62Å; V110-L154 HydrophobicContact CG1-CG 4.08Å; V110-L154 HydrophobicContact CG2-CD1 3.93Å; V110-L154 HydrophobicContact CG2-CD2 3.69Å; V110-L154 HydrophobicContact CG2-CG 3.67Å; F126-L154 HydrophobicContact CD1-CD2 4.45Å; F126-L154 HydrophobicContact CD2-CD1 4.45Å; F126-L154 HydrophobicContact CD2-CD2 4.12Å; F126-L154 HydrophobicContact CE1-CD2 4.07Å; F126-L154 HydrophobicContact CE2-CD1 4.04Å; F126-L154 HydrophobicContact CE2-CD2 3.67Å; F126-L154 HydrophobicContact CG-CD2 4.48Å; F126-L154 HydrophobicContact CZ-CD2 3.65Å; L154-L157 HydrophobicContact CD1-CD2 3.98Å; L154-A177 HydrophobicContact CD2-CB 3.96Å |
| 155 | E | 97.5 | Very high | 96.9 | Very high | 39 Ų | 39 | 79.1 Ų | 79.1 | 18% | 0.182 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | -61.8 | 165.7 | -170.3 | 66.9 | -161.6 | 0 | 0 | 108.4 | K106 D176 | K106-E155 WeakPolarHBondContact CA-O 3.5Å; K106-E155 WeakPolarHBondContact CE-OE1 3.34Å; K106-E155 IonicContact NZ-OE1 3.99Å; K106-E155 PolarHBondContact NZ-OE1 3Å; E155-D176 HydrophobicContact CB-CB 4.22Å; E155-D176 PolarHBondContact N-O 3.36Å |
| 156 | D | 97.3 | Very high | 97 | Very high | 79 Ų | 79 | 75.7 Ų | 75.7 | 42% | 0.422 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 144 | -179.3 | -75.9 | -33 | 0 | 0 | 0 | 112.2 | L159 A175 D176 | D156-L159 HydrophobicContact CB-CD2 4.34Å; D156-A175 WeakPolarHBondContact O-CA 3.43Å; D156-A175 WeakPolarHBondContact O-CB 3.49Å; D156-D176 HydrophobicContact CB-CB 4.35Å; D156-D176 PolarHBondContact N-O 3.38Å; D156-D176 PolarHBondContact O-N 2.94Å |
| 157 | L | 97.2 | Very high | 97.1 | Very high | 55 Ų | 55 | 74.1 Ų | 74.1 | 29% | 0.288 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -82.9 | -21.7 | 178.7 | -65.9 | 178.4 | 0 | 0 | 0 | 113.7 | L99 A105 F126 A128 L154 A175 | L99-L157 HydrophobicContact CD1-CD1 4.08Å; A105-L157 HydrophobicContact CB-CD1 3.93Å; A105-L157 HydrophobicContact CB-CD2 3.88Å; A105-L157 HydrophobicContact CB-CG 3.54Å; F126-L157 HydrophobicContact CE2-CD2 3.85Å; F126-L157 HydrophobicContact CZ-CD2 4.2Å; A128-L157 HydrophobicContact CB-CD2 4.3Å; L154-L157 HydrophobicContact CD1-CD2 3.98Å; L157-A175 WeakPolarHBondContact O-CB 3.04Å |
| 158 | E | 96.9 | Very high | 97.2 | Very high | 60 Ų | 60 | 77.3 Ų | 77.3 | 28% | 0.28 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -151.5 | 117.9 | 176.6 | -172.9 | 178.8 | 168 | 0 | 0 | 107.7 | K129 F130 T160 T171 | K129-E158 IonicContact NZ-OE1 3.01Å; K129-E158 IonicContact NZ-OE2 2.8Å; K129-E158 PolarHBondContact NZ-OE2 2.79Å; F130-E158 HydrophobicContact CD2-CB 4.04Å; F130-E158 HydrophobicContact CD2-CG 3.79Å; F130-E158 HydrophobicContact CE2-CB 4.16Å; F130-E158 HydrophobicContact CE2-CG 3.51Å; F130-E158 WeakPolarHBondContact CE2-OE2 3.46Å; F130-E158 HydrophobicContact CZ-CG 4.49Å; E158-T160 HydrophobicContact CB-CG2 4.32Å; E158-T160 HydrophobicContact CG-CG2 3.6Å; E158-T160 PolarHBondContact O-N 3.25Å; E158-T160 VanDerWaalsContact O-N 3.16Å; E158-T171 WeakPolarHBondContact CG-OG1 3.42Å; E158-T171 WeakPolarHBondContact OE1-CB 3.35Å; E158-T171 PolarHBondContact OE1-OG1 3.07Å |
| 159 | L | 96.9 | Very high | 97.3 | Very high | 43 Ų | 43 | 79.8 Ų | 79.8 | 23% | 0.225 | 41% | 0.413 | C | S | . | . | trans | -74.1 | 104.6 | 174.1 | -75.4 | 177.4 | 0 | 0 | 0 | 110 | D156 T171 L172 E174 D176 | D156-L159 HydrophobicContact CB-CD2 4.34Å; L159-T171 WeakPolarHBondContact O-CA 3.36Å; L159-L172 HydrophobicContact CB-CB 4.18Å; L159-L172 HydrophobicContact CB-CD1 4.12Å; L159-L172 HydrophobicContact CB-CG 4.37Å; L159-L172 HydrophobicContact CD1-CD1 3.91Å; L159-L172 PolarHBondContact O-N 3.41Å; L159-E174 HydrophobicContact CD1-CG 4.13Å; L159-E174 PolarHBondContact N-O 3.26Å; L159-D176 HydrophobicContact CD1-CB 4.12Å; L159-D176 HydrophobicContact CD2-CB 3.85Å; L159-D176 HydrophobicContact CG-CB 4.02Å | ||
| 160 | T | 97.4 | Very high | 97.3 | Very high | 72 Ų | 72 | 76.7 Ų | 76.7 | 44% | 0.442 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 143.4 | 176.3 | 65.8 | 0 | 0 | 0 | 0 | 111.3 | E158 T170 | E158-T160 HydrophobicContact CB-CG2 4.32Å; E158-T160 HydrophobicContact CG-CG2 3.6Å; E158-T160 PolarHBondContact O-N 3.25Å; E158-T160 VanDerWaalsContact O-N 3.16Å; T160-T170 WeakPolarHBondContact CA-O 3.45Å |
| 161 | S | 97.4 | Very high | 97.4 | Very high | 58 Ų | 58 | 79 Ų | 79 | 41% | 0.406 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 150.1 | 173.6 | -167.2 | 0 | 0 | 0 | 0 | 111.1 | T170 | S161-T170 PolarHBondContact N-O 3.01Å; S161-T170 PolarHBondContact O-N 3.3Å |
| 162 | R | 96.9 | Very high | 97.4 | Very high | 155 Ų | 155 | 79.3 Ų | 79.3 | 59% | 0.585 | 43% | 0.433 | S | S | * | . | trans | -110.2 | 120.3 | 173.8 | -171.6 | 177.5 | -63.1 | -179.4 | 2.7 | 109.5 | A166 D169 | R162-A166 HydrophobicContact CG-CB 4.48Å; R162-D169 IonicContact CZ-OD1 2.75Å; R162-D169 IonicContact NE-OD1 3.8Å; R162-D169 PolarHBondContact NE-OD1 2.91Å; R162-D169 IonicContact NH2-OD1 2.69Å; R162-D169 PolarHBondContact NH2-OD1 3.44Å; R162-D169 IonicContact NH2-OD2 2.62Å | ||
| 163 | F | 96.9 | Very high | 97.4 | Very high | 130 Ų | 130 | 83.9 Ų | 83.9 | 57% | 0.57 | 46% | 0.457 | S | S | * | . | trans | -93.2 | 158.8 | 176 | -59.6 | -76.1 | 0 | 0 | 0 | 111.3 | G165 A166 | F163-G165 PolarHBondContact O-N 3.39Å; F163-A166 WeakPolarHBondContact O-CB 3.4Å; F163-A166 PolarHBondContact O-N 2.74Å; F163-A166 VanDerWaalsContact O-N 3.1Å | ||
| 164 | L | 97.9 | Very high | 97.3 | Very high | 187 Ų | 187 | 82.3 Ų | 82.3 | 98% | 0.979 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 131.8 | 178 | -176.5 | 66.5 | 0 | 0 | 0 | 110.6 | A166 | L164-A166 VanDerWaalsContact C-N 3.3Š|
| 165 | G | 97.1 | Very high | 97.3 | Very high | 77 Ų | 77 | 82.4 Ų | 82.4 | 79% | 0.794 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85 | -4.8 | -178 | 0 | 0 | 0 | 0 | 0 | 114.7 | F163 | F163-G165 PolarHBondContact O-N 3.39Š|
| 166 | A | 97.4 | Very high | 97.4 | Very high | 36 Ų | 36 | 83.3 Ų | 83.3 | 30% | 0.298 | 46% | 0.461 | S | S | . | . | trans | -85.7 | 134.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | R162 F163 L164 | R162-A166 HydrophobicContact CG-CB 4.48Å; F163-A166 WeakPolarHBondContact O-CB 3.4Å; F163-A166 PolarHBondContact O-N 2.74Å; F163-A166 VanDerWaalsContact O-N 3.1Å; L164-A166 VanDerWaalsContact C-N 3.3Å | ||
| 167 | N | 97.2 | Very high | 97.4 | Very high | 155 Ų | 155 | 80 Ų | 80 | 83% | 0.829 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -82.8 | -18.9 | 173.4 | -66.9 | -26.1 | 0 | 0 | 0 | 112.6 | ||
| 168 | T | 97.6 | Very high | 97.4 | Very high | 102 Ų | 102 | 82.8 Ų | 82.8 | 63% | 0.626 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -134.4 | 156.5 | -175 | 57.5 | 0 | 0 | 0 | 0 | 110.4 | ||
| 169 | D | 98.1 | Very high | 97.4 | Very high | 83 Ų | 83 | 81.5 Ų | 81.5 | 44% | 0.444 | 45% | 0.449 | S | S | . | . | trans | -72.9 | 143.5 | 178.2 | -59.1 | -7.8 | 0 | 0 | 0 | 110.1 | R162 | R162-D169 IonicContact CZ-OD1 2.75Å; R162-D169 IonicContact NE-OD1 3.8Å; R162-D169 PolarHBondContact NE-OD1 2.91Å; R162-D169 IonicContact NH2-OD1 2.69Å; R162-D169 PolarHBondContact NH2-OD1 3.44Å; R162-D169 IonicContact NH2-OD2 2.62Å | ||
| 170 | T | 97.3 | Very high | 97.3 | Very high | 75 Ų | 75 | 83.9 Ų | 83.9 | 46% | 0.46 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 129.3 | 172.2 | -55.1 | 0 | 0 | 0 | 0 | 108.4 | T160 S161 | T160-T170 WeakPolarHBondContact CA-O 3.45Å; S161-T170 PolarHBondContact N-O 3.01Å; S161-T170 PolarHBondContact O-N 3.3Å |
| 171 | T | 97.6 | Very high | 97.2 | Very high | 49 Ų | 49 | 81.2 Ų | 81.2 | 30% | 0.301 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 139.6 | -179.1 | 178.1 | 0 | 0 | 0 | 0 | 110.4 | E158 L159 L173 | E158-T171 WeakPolarHBondContact CG-OG1 3.42Å; E158-T171 WeakPolarHBondContact OE1-CB 3.35Å; E158-T171 PolarHBondContact OE1-OG1 3.07Å; L159-T171 WeakPolarHBondContact O-CA 3.36Å; T171-L173 VanDerWaalsContact C-N 3.29Å; T171-L173 HydrophobicContact CG2-CD2 3.48Å; T171-L173 VanDerWaalsContact CG2-CD2 3.48Å; T171-L173 HydrophobicContact CG2-CG 4.15Å; T171-L173 PolarHBondContact OG1-N 3.49Å |
| 172 | L | 96.9 | Very high | 97 | Very high | 112 Ų | 112 | 80.7 Ų | 80.7 | 59% | 0.586 | 44% | 0.441 | S | S | * | . | trans | -83.6 | -6.4 | 174.2 | -64.4 | 178.8 | 0 | 0 | 0 | 112.8 | L159 E174 | L159-L172 HydrophobicContact CB-CB 4.18Å; L159-L172 HydrophobicContact CB-CD1 4.12Å; L159-L172 HydrophobicContact CB-CG 4.37Å; L159-L172 HydrophobicContact CD1-CD1 3.91Å; L159-L172 PolarHBondContact O-N 3.41Å; L172-E174 HydrophobicContact CB-CG 3.91Å; L172-E174 PolarHBondContact O-N 3.23Å | ||
| 173 | L | 97.5 | Very high | 96.8 | Very high | 97 Ų | 97 | 74.7 Ų | 74.7 | 51% | 0.508 | 42% | 0.42 | S | S | . | . | S | Bend | trans | 58.5 | 29.8 | -177.7 | -52 | 176.9 | 0 | 0 | 0 | 113.5 | F130 T171 | F130-L173 VanDerWaalsContact CD1-C 3.47Å; F130-L173 HydrophobicContact CD1-CB 4.13Å; F130-L173 WeakPolarHBondContact CD1-O 3.44Å; F130-L173 HydrophobicContact CE1-CB 3.75Å; F130-L173 HydrophobicContact CE1-CD2 3.7Å; F130-L173 HydrophobicContact CE1-CG 4.33Å; F130-L173 HydrophobicContact CZ-CB 4.38Å; F130-L173 HydrophobicContact CZ-CD2 3.64Å; T171-L173 VanDerWaalsContact C-N 3.29Å; T171-L173 HydrophobicContact CG2-CD2 3.48Å; T171-L173 VanDerWaalsContact CG2-CD2 3.48Å; T171-L173 HydrophobicContact CG2-CG 4.15Å; T171-L173 PolarHBondContact OG1-N 3.49Å |
| 174 | E | 97.3 | Very high | 96.1 | Very high | 63 Ų | 63 | 74.4 Ų | 74.4 | 29% | 0.294 | 42% | 0.421 | S | S | . | . | trans | -138.1 | 152.6 | 175.3 | 66.3 | -172.2 | -178.4 | 0 | 0 | 110.5 | L159 L172 | L159-E174 HydrophobicContact CD1-CG 4.13Å; L159-E174 PolarHBondContact N-O 3.26Å; L172-E174 HydrophobicContact CB-CG 3.91Å; L172-E174 PolarHBondContact O-N 3.23Å | ||
| 175 | A | 98.1 | Very high | 94.7 | Very high | 4 Ų | 4 | 70.7 Ų | 70.7 | 3% | 0.033 | 41% | 0.41 | C | S | . | . | B | Isolated β-bridge | trans | -91.6 | 148.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110 | F126 H131 C132 D156 L157 | F126-A175 HydrophobicContact CE1-CB 3.93Å; F126-A175 HydrophobicContact CZ-CB 3.72Å; H131-A175 PolarHBondContact O-N 2.83Å; C132-A175 WeakPolarHBondContact CA-O 3.19Å; C132-A175 HydrophobicContact CB-CB 4.34Å; C132-A175 WeakPolarHBondContact CB-O 2.96Å; D156-A175 WeakPolarHBondContact O-CA 3.43Å; D156-A175 WeakPolarHBondContact O-CB 3.49Å; L157-A175 WeakPolarHBondContact O-CB 3.04Å |
| 176 | D | 97.9 | Very high | 93 | Very high | 57 Ų | 57 | 74.9 Ų | 74.9 | 31% | 0.305 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 128.9 | 175.4 | -167.5 | 12.4 | 0 | 0 | 0 | 111 | E155 D156 L159 | E155-D176 HydrophobicContact CB-CB 4.22Å; E155-D176 PolarHBondContact N-O 3.36Å; D156-D176 HydrophobicContact CB-CB 4.35Å; D156-D176 PolarHBondContact N-O 3.38Å; D156-D176 PolarHBondContact O-N 2.94Å; L159-D176 HydrophobicContact CD1-CB 4.12Å; L159-D176 HydrophobicContact CD2-CB 3.85Å; L159-D176 HydrophobicContact CG-CB 4.02Å |
| 177 | A | 98 | Very high | 91 | Very high | 9 Ų | 9 | 76.9 Ų | 76.9 | 7% | 0.074 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 148.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112 | C132 C134 L152 R153 L154 | C132-A177 HydrophobicContact CB-CB 4.01Å; C134-A177 PolarHBondContact SG-O 3.25Å; C134-A177 VanDerWaalsContact SG-O 3.35Å; L152-A177 HydrophobicContact CB-CB 4.39Å; R153-A177 CarbonylContact O-C 3.44Å; R153-A177 VanDerWaalsContact O-CA 3.26Å; R153-A177 WeakPolarHBondContact O-CA 3.36Å; L154-A177 HydrophobicContact CD2-CB 3.96Å |
| 178 | F | 97.5 | Very high | 89 | Confident | 114 Ų | 114 | 73.3 Ų | 73.3 | 50% | 0.5 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 126.9 | 173.9 | -65.4 | -82.4 | 0 | 0 | 0 | 111.2 | L152 R153 L180 | L152-F178 CarbonylContact C-O 3.57Å; L152-F178 WeakPolarHBondContact CA-O 3.27Å; R153-F178 HydrophobicContact CB-CB 4.41Å; R153-F178 PolarHBondContact N-O 3.36Å; R153-F178 PolarHBondContact O-N 3.35Å; F178-L180 PolarHBondContact O-N 2.8Å |
| 179 | L | 96.9 | Very high | 86.8 | Confident | 33 Ų | 33 | 77.1 Ų | 77.1 | 17% | 0.173 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 112.2 | 173.4 | 179.5 | 60.9 | 0 | 0 | 0 | 110.6 | L122 I124 C134 P137 Y144 V150 L152 | L122-L179 HydrophobicContact CD1-CD2 3.81Å; I124-L179 HydrophobicContact CD1-CD1 4.3Å; C134-L179 HydrophobicContact CB-CB 3.89Å; C134-L179 HydrophobicContact CB-CD2 4.26Å; P137-L179 HydrophobicContact CG-CD2 3.83Å; Y144-L179 HydrophobicContact CD1-CD2 4.18Å; Y144-L179 HydrophobicContact CE1-CD1 4.13Å; Y144-L179 HydrophobicContact CE1-CD2 3.77Å; Y144-L179 HydrophobicContact CE1-CG 4.24Å; V150-L179 HydrophobicContact CB-CD1 3.65Å; V150-L179 HydrophobicContact CG1-CD1 3.9Å; V150-L179 HydrophobicContact CG2-CD1 4.08Å; L152-L179 HydrophobicContact CD2-CB 4.35Å; L152-L179 HydrophobicContact CD2-CD1 3.9Å |
| 180 | L | 95.2 | Very high | 84.5 | Confident | 93 Ų | 93 | 78.8 Ų | 78.8 | 49% | 0.487 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | -39.9 | -178.8 | -61.6 | 177.2 | 0 | 0 | 0 | 112.7 | M109 R151 R153 F178 | M109-L180 HydrophobicContact CE-CD1 3.61Å; M109-L180 HydrophobicContact SD-CD1 3.29Å; M109-L180 WeakPolarHBondContact SD-CD1 3.33Å; R151-L180 HydrophobicContact CB-CB 4.21Å; R151-L180 PolarHBondContact O-N 3.47Å; R153-L180 HydrophobicContact CB-CD1 4.19Å; R153-L180 HydrophobicContact CB-CG 4.42Å; F178-L180 PolarHBondContact O-N 2.8Å |
| 181 | G | 94.3 | Very high | 82.1 | Confident | 16 Ų | 16 | 85.2 Ų | 85.2 | 17% | 0.165 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.5 | 173.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | V150 R151 | V150-G181 CarbonylContact C-O 3.53Å; V150-G181 VanDerWaalsContact CA-O 3.31Å; V150-G181 WeakPolarHBondContact CA-O 3.06Å; R151-G181 PolarHBondContact N-O 2.56Å |
| 182 | L | 93.8 | Very high | 79.2 | Confident | 47 Ų | 47 | 95.4 Ų | 95.4 | 25% | 0.246 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 151.3 | 170.7 | -71.6 | 158.5 | 0 | 0 | 0 | 110.7 | K143 Y144 V150 | K143-L182 HydrophobicContact CB-CD1 3.29Å; K143-L182 HydrophobicContact CD-CD1 4.25Å; K143-L182 HydrophobicContact CG-CD1 4.4Å; Y144-L182 HydrophobicContact CD1-CD1 4.44Å; Y144-L182 HydrophobicContact CD1-CD2 3.83Å; Y144-L182 HydrophobicContact CD1-CG 4.03Å; Y144-L182 HydrophobicContact CD2-CD1 4.09Å; Y144-L182 HydrophobicContact CD2-CG 4.49Å; Y144-L182 HydrophobicContact CE1-CD1 4.22Å; Y144-L182 HydrophobicContact CE1-CD2 3.86Å; Y144-L182 HydrophobicContact CE1-CG 3.61Å; Y144-L182 HydrophobicContact CE2-CD1 3.85Å; Y144-L182 HydrophobicContact CE2-CG 4.13Å; Y144-L182 HydrophobicContact CG-CD1 4.39Å; Y144-L182 HydrophobicContact CG-CD2 4.33Å; Y144-L182 HydrophobicContact CG-CG 4.45Å; V150-L182 HydrophobicContact CG1-CD2 3.8Å |
| 183 | I | 91.8 | Very high | 78.3 | Confident | 30 Ų | 30 | 94.6 Ų | 94.6 | 15% | 0.154 | 49% | 0.486 | C | S | . | . | trans | -93.5 | 111.6 | 169.9 | -68.7 | 162.4 | 0 | 0 | 0 | 108 | I111 R149 R151 | I111-I183 HydrophobicContact CB-CD1 3.92Å; I111-I183 HydrophobicContact CD1-CD1 3.86Å; I111-I183 HydrophobicContact CG1-CD1 3.61Å; I111-I183 HydrophobicContact CG2-CD1 3.31Å; R149-I183 HydrophobicContact CB-CB 4.31Å; R149-I183 HydrophobicContact CB-CD1 4.39Å; R149-I183 PolarHBondContact O-N 2.85Å; R151-I183 HydrophobicContact CG-CD1 3.82Å; R151-I183 HydrophobicContact CG-CG1 3.43Å; R151-I183 VanDerWaalsContact CG-CG1 3.43Å | ||
| 184 | E | 82.7 | Confident | 77.3 | Confident | 124 Ų | 124 | 94.5 Ų | 94.5 | 58% | 0.579 | 49% | 0.485 | S | S | * | . | trans | -72.9 | 141.3 | 169.8 | -61.9 | -169.3 | 174.3 | 0 | 0 | 109.9 | K186 D187 | E184-K186 PolarHBondContact O-N 2.75Å; E184-D187 PolarHBondContact O-N 3.15Å | ||
| 185 | S | 67.9 | Low | 76.1 | Confident | 109 Ų | 109 | 96.2 Ų | 96.2 | 76% | 0.762 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -13.6 | -179.2 | -41.6 | 0 | 0 | 0 | 0 | 113.8 | ||
| 186 | K | 62 | Low | 74.9 | Confident | 165 Ų | 165 | 101.6 Ų | 101.6 | 72% | 0.717 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -33.4 | 175.2 | -71 | 178.9 | 177.9 | 175 | 0 | 112.5 | E184 A188 K189 | E184-K186 PolarHBondContact O-N 2.75Å; K186-A188 VanDerWaalsContact C-N 3.26Å; K186-A188 PolarHBondContact O-N 2.69Å; K186-K189 PolarHBondContact O-N 3.33Å |
| 187 | D | 56.2 | Low | 73.4 | Confident | 78 Ų | 78 | 104.4 Ų | 104.4 | 42% | 0.417 | 54% | 0.537 | S | S | . | . | G | 310 helix | trans | -77.6 | -10.3 | -177.9 | -68.6 | -28.8 | 0 | 0 | 0 | 113.6 | R151 E184 K189 | R151-D187 IonicContact CZ-OD2 3.15Å; R151-D187 IonicContact NH1-OD2 3.33Å; R151-D187 VanDerWaalsContact NH2-CG 3.3Å; R151-D187 IonicContact NH2-OD2 2.64Å; R151-D187 PolarHBondContact NH2-OD2 3.38Å; E184-D187 PolarHBondContact O-N 3.15Å; D187-K189 PolarHBondContact O-N 3.29Å |
| 188 | A | 54.4 | Low | 71.8 | Confident | 79 Ų | 79 | 110.8 Ų | 110.8 | 65% | 0.653 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -71.8 | -10.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | K186 | K186-A188 VanDerWaalsContact C-N 3.26Å; K186-A188 PolarHBondContact O-N 2.69Å |
| 189 | K | 52 | Low | 69.9 | Low | 183 Ų | 183 | 110.6 Ų | 110.6 | 80% | 0.796 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -97.2 | -8.2 | -176.5 | -71.5 | -170 | 177.1 | -175.2 | 0 | 115 | K186 D187 K191 | K186-K189 PolarHBondContact O-N 3.33Å; D187-K189 PolarHBondContact O-N 3.29Å; K189-K191 VanDerWaalsContact C-N 3.35Å; K189-K191 PolarHBondContact O-N 3.1Å |
| 190 | T | 49.9 | Very low | 67.9 | Low | 118 Ų | 118 | 116.5 Ų | 116.5 | 72% | 0.724 | 60% | 0.603 | S | S | * | * | trans | -94.9 | 24.5 | -169.9 | -33.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 191 | K | 46.2 | Very low | 65.6 | Low | 210 Ų | 210 | 118.5 Ų | 118.5 | 91% | 0.913 | 61% | 0.613 | S | S | * | * | trans | -122.8 | 83 | 166.3 | -89.6 | -170.1 | 173.3 | -174.3 | 0 | 108.9 | K189 | K189-K191 VanDerWaalsContact C-N 3.35Å; K189-K191 PolarHBondContact O-N 3.1Å | ||
| 192 | E | 36 | Very low | 63 | Low | 263 Ų | 263 | 127.8 Ų | 127.8 | 100% | 1.229 | 65% | 0.654 | S | S | * | * | trans | -118.9 | 0 | 153.5 | -158 | 176.6 | -171.4 | 0 | 0 | 107.6 |
Retrieved 192 of 192 residues in 212.4 ms
(Link to these results)