| 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 | 39.9 | Very low | 46.2 | Very low | 240 Ų | 240 | 166.5 Ų | 166.5 | 100% | 1.182 | 82% | 0.818 | S | S | * | * | 0 | 81.3 | 0 | -55.2 | -138.8 | 174.1 | 0 | 0 | 106.9 | |||||
| 2 | Q | 39.6 | Very low | 46.5 | Very low | 167 Ų | 167 | 162.5 Ų | 162.5 | 78% | 0.78 | 81% | 0.81 | S | S | * | * | 45.4 | 109.7 | 92.7 | -87.4 | -169.9 | -6.5 | 0 | 0 | 114.5 | |||||
| 3 | F | 40.3 | Very low | 46.8 | Very low | 183 Ų | 183 | 162.1 Ų | 162.1 | 80% | 0.803 | 81% | 0.811 | S | S | * | * | trans | 160 | 82.3 | 131.5 | -89.6 | -71.9 | 0 | 0 | 0 | 107.3 | ||||
| 4 | R | 44.1 | Very low | 46.5 | Very low | 210 Ų | 210 | 162.1 Ų | 162.1 | 79% | 0.792 | 82% | 0.815 | S | S | * | * | 64.1 | 96 | 89.7 | -70.1 | -94.9 | 178 | 164.7 | -1.8 | 112.5 | F6 | R4-F6 HydrophobicContact CB-CE2 4.36Å; R4-F6 PolarHBondContact O-N 3.5Å | |||
| 5 | L | 50.9 | Low | 46.5 | Very low | 179 Ų | 179 | 159.1 Ų | 159.1 | 94% | 0.937 | 81% | 0.814 | S | S | * | * | trans | -47.9 | 113.7 | 155.6 | -68.6 | 156.4 | 0 | 0 | 0 | 109.1 | ||||
| 6 | F | 46.7 | Very low | 46.4 | Very low | 184 Ų | 184 | 160.3 Ų | 160.3 | 81% | 0.807 | 82% | 0.817 | S | S | * | * | trans | -94.3 | 125.2 | 168.7 | -92 | -82.9 | 0 | 0 | 0 | 110.1 | R4 | R4-F6 HydrophobicContact CB-CE2 4.36Å; R4-F6 PolarHBondContact O-N 3.5Å | ||
| 7 | S | 47.1 | Very low | 46.2 | Very low | 97 Ų | 97 | 162.5 Ų | 162.5 | 68% | 0.678 | 82% | 0.824 | S | S | * | * | trans | -51.8 | 134.9 | -171.9 | -63.3 | 0 | 0 | 0 | 0 | 115.4 | A9 | S7-A9 PolarHBondContact O-N 3.48Š| ||
| 8 | F | 46.4 | Very low | 46.1 | Very low | 192 Ų | 192 | 166.4 Ų | 166.4 | 84% | 0.842 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -58.6 | 27.1 | 155.6 | -90.1 | -96.6 | 0 | 0 | 0 | 114.4 | ||
| 9 | A | 52.1 | Low | 45.9 | Very low | 68 Ų | 68 | 163.2 Ų | 163.2 | 56% | 0.562 | 82% | 0.824 | S | S | * | * | trans | -97.3 | 5.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | S7 | S7-A9 PolarHBondContact O-N 3.48Š| ||
| 10 | L | 50.2 | Low | 45.5 | Very low | 168 Ų | 168 | 162.4 Ų | 162.4 | 88% | 0.88 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -111 | 9.3 | 178.1 | -80.1 | 170.9 | 0 | 0 | 0 | 114.9 | ||
| 11 | I | 50.7 | Low | 45 | Very low | 143 Ų | 143 | 161.2 Ų | 161.2 | 73% | 0.733 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -109.9 | -4.7 | -179.9 | -62.6 | 176.4 | 0 | 0 | 0 | 112.8 | ||
| 12 | V | 49.4 | Very low | 44.6 | Very low | 119 Ų | 119 | 158.2 Ų | 158.2 | 72% | 0.721 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -114.4 | 2.2 | -174.7 | -171.8 | 0 | 0 | 0 | 0 | 115 | ||
| 13 | L | 50.3 | Low | 44.7 | Very low | 157 Ų | 157 | 155 Ų | 155 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -115.8 | 38.8 | 178.7 | -80.8 | 167.5 | 0 | 0 | 0 | 114.6 | ||
| 14 | N | 43.5 | Very low | 44.5 | Very low | 163 Ų | 163 | 152.3 Ų | 152.3 | 87% | 0.872 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -139.7 | 21.2 | 165.8 | -94.9 | -53.9 | 0 | 0 | 0 | 113.9 | ||
| 15 | C | 46.4 | Very low | 43.8 | Very low | 117 Ų | 117 | 147.7 Ų | 147.7 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -127.3 | 28.9 | 179.9 | -74.1 | 0 | 0 | 0 | 0 | 113.7 | ||
| 16 | M | 45.5 | Very low | 43.1 | Very low | 178 Ų | 178 | 147.6 Ų | 147.6 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -144.5 | 65.2 | 179.1 | -102.4 | -79.6 | 162.2 | 0 | 0 | 111.9 | ||
| 17 | E | 42 | Very low | 42.3 | Very low | 197 Ų | 197 | 150.2 Ų | 150.2 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | -165 | 49.9 | 149.4 | -110.2 | 167.4 | -168 | 0 | 0 | 110.7 | ||||
| 18 | Y | 44.2 | Very low | 41.4 | Very low | 233 Ų | 233 | 156.4 Ų | 156.4 | 91% | 0.914 | 82% | 0.821 | S | S | * | * | trans | -106.8 | 71.6 | 166.4 | -146.8 | -87 | 0 | 0 | 0 | 108.2 | ||||
| 19 | S | 43.6 | Very low | 40.5 | Very low | 106 Ų | 106 | 158.8 Ų | 158.8 | 74% | 0.741 | 82% | 0.824 | S | S | * | * | trans | -163.9 | 130.3 | 167.6 | -76.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 20 | N | 36.8 | Very low | 39.6 | Very low | 146 Ų | 146 | 166.7 Ų | 166.7 | 78% | 0.781 | 84% | 0.84 | S | S | * | * | trans | 92.8 | 72.4 | 169.9 | -52.7 | -32.1 | 0 | 0 | 0 | 117.8 | ||||
| 21 | C | 34.7 | Very low | 38.6 | Very low | 139 Ų | 139 | 166.6 Ų | 166.6 | 94% | 0.939 | 84% | 0.84 | S | S | * | * | trans | -102.9 | 86.6 | 141.4 | -70.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 22 | Q | 33 | Very low | 37.7 | Very low | 177 Ų | 177 | 169.9 Ų | 169.9 | 83% | 0.827 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 124.5 | 157.6 | -90.8 | 172.9 | -23.1 | 0 | 0 | 108.2 | ||
| 23 | A | 41.6 | Very low | 36.7 | Very low | 100 Ų | 100 | 175.3 Ų | 175.3 | 83% | 0.826 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 137.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 24 | P | 35.3 | Very low | 35.9 | Very low | 125 Ų | 125 | 174 Ų | 174 | 81% | 0.812 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -99 | 146.1 | 156.9 | 19.3 | -2.4 | 0 | 0 | 0 | 111.6 | ||
| 25 | S | 29.1 | Very low | 35.2 | Very low | 114 Ų | 114 | 171.8 Ų | 171.8 | 80% | 0.797 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 158.3 | -172.4 | 44.6 | 0 | 0 | 0 | 0 | 114.4 | ||
| 26 | H | 36.9 | Very low | 34.4 | Very low | 176 Ų | 176 | 169.2 Ų | 169.2 | 82% | 0.815 | 85% | 0.845 | S | S | * | * | trans | -37.5 | 128.8 | 170.3 | -75.3 | -106 | 0 | 0 | 0 | 114.7 | ||||
| 27 | R | 29 | Very low | 33.8 | Very low | 239 Ų | 239 | 168.3 Ų | 168.3 | 90% | 0.902 | 84% | 0.842 | S | S | * | * | trans | -152.1 | 108.9 | 145.6 | -156.1 | 169.8 | -96.7 | -166 | -7.3 | 111.8 | ||||
| 28 | W | 27.9 | Very low | 33.2 | Very low | 227 Ų | 227 | 166 Ų | 166 | 86% | 0.86 | 84% | 0.836 | S | S | * | * | trans | -58.6 | 132.9 | 167.9 | -88.2 | 68.2 | 0 | 0 | 0 | 111.2 | ||||
| 29 | R | 28.8 | Very low | 32.5 | Very low | 243 Ų | 243 | 158.1 Ų | 158.1 | 92% | 0.917 | 83% | 0.826 | S | S | * | * | trans | -138.1 | 130.1 | 156.6 | -105.6 | -170.8 | -165.3 | -135.4 | 4.4 | 111.6 | ||||
| 30 | R | 31.7 | Very low | 31.9 | Very low | 234 Ų | 234 | 160.8 Ų | 160.8 | 88% | 0.883 | 83% | 0.831 | S | S | * | * | trans | -71.7 | 147.8 | -174.9 | -79.2 | 172.7 | 169.6 | 159.3 | -3.8 | 113.8 | ||||
| 31 | N | 30.9 | Very low | 31.7 | Very low | 165 Ų | 165 | 160.3 Ų | 160.3 | 88% | 0.882 | 83% | 0.834 | S | S | * | * | trans | 17.8 | 136.6 | 149.6 | -78.7 | -0.5 | 0 | 0 | 0 | 121.9 | ||||
| 32 | K | 31.1 | Very low | 31.5 | Very low | 212 Ų | 212 | 157 Ų | 157 | 92% | 0.922 | 82% | 0.824 | S | S | * | * | trans | -92.2 | 150.9 | 155.5 | -94.5 | -177.2 | 177.1 | -179.6 | 0 | 111.7 | ||||
| 33 | R | 29.2 | Very low | 32 | Very low | 233 Ų | 233 | 158.2 Ų | 158.2 | 88% | 0.879 | 83% | 0.829 | S | S | * | * | trans | -122.9 | 126.8 | 153.4 | -114.4 | -173.5 | -94.3 | -166.1 | -4.9 | 106.4 | ||||
| 34 | V | 32 | Very low | 31.9 | Very low | 129 Ų | 129 | 159 Ų | 159 | 78% | 0.782 | 83% | 0.826 | S | S | * | * | 69 | 128.3 | 103.5 | 179 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 35 | S | 29.3 | Very low | 32.1 | Very low | 117 Ų | 117 | 158.2 Ų | 158.2 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | cis | -170.1 | 166.2 | 45.3 | -32.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 36 | G | 29.6 | Very low | 33.2 | Very low | 64 Ų | 64 | 158.2 Ų | 158.2 | 66% | 0.66 | 83% | 0.827 | S | S | * | * | trans | 116.2 | 107.5 | 141.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 37 | I | 32.2 | Very low | 33.2 | Very low | 158 Ų | 158 | 154.5 Ų | 154.5 | 81% | 0.81 | 82% | 0.822 | S | S | * | * | 56.1 | 128.3 | 89 | 71.9 | 164 | 0 | 0 | 0 | 113.8 | |||||
| 38 | D | 30 | Very low | 33.9 | Very low | 148 Ų | 148 | 149.1 Ų | 149.1 | 79% | 0.791 | 82% | 0.818 | S | S | * | * | cis | -157 | 158.4 | 35.1 | -79 | -55.6 | 0 | 0 | 0 | 113.5 | ||||
| 39 | G | 29.5 | Very low | 34.5 | Very low | 69 Ų | 69 | 145.5 Ų | 145.5 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | 84.1 | 107.5 | 125.5 | 0 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 40 | L | 31.1 | Very low | 35.1 | Very low | 161 Ų | 161 | 137.8 Ų | 137.8 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | trans | 84.4 | 119.1 | 136.6 | -61.6 | 171.3 | 0 | 0 | 0 | 123.7 | ||||
| 41 | T | 33.8 | Very low | 35.9 | Very low | 136 Ų | 136 | 133.8 Ų | 133.8 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | trans | 57.1 | 121.2 | 139.6 | 57.5 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 42 | G | 29.1 | Very low | 36.6 | Very low | 70 Ų | 70 | 136.4 Ų | 136.4 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | trans | 137.2 | 105.5 | 155.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | P44 | G42-P44 WeakPolarHBondContact O-CD 3.3Š| ||
| 43 | Q | 44.1 | Very low | 37.4 | Very low | 203 Ų | 203 | 130.8 Ų | 130.8 | 95% | 0.949 | 77% | 0.771 | S | S | * | * | trans | -71.6 | 127.9 | 156.6 | -82.2 | 175.9 | -29.7 | 0 | 0 | 108.4 | ||||
| 44 | P | 39.8 | Very low | 38.2 | Very low | 117 Ų | 117 | 125.9 Ų | 125.9 | 76% | 0.76 | 76% | 0.761 | S | S | * | * | trans | -144.3 | -175.2 | 136.2 | 44.8 | -29.4 | 0 | 0 | 0 | 111.4 | G42 | G42-P44 WeakPolarHBondContact O-CD 3.3Š| ||
| 45 | P | 40.1 | Very low | 38.8 | Very low | 107 Ų | 107 | 125.1 Ų | 125.1 | 70% | 0.695 | 76% | 0.76 | S | S | * | * | -91.4 | 165.4 | -115.6 | 20.8 | 2.3 | 0 | 0 | 0 | 113.8 | S47 | P45-S47 PolarHBondContact O-N 3.38Š| |||
| 46 | A | 50.3 | Low | 39.5 | Very low | 114 Ų | 114 | 124.8 Ų | 124.8 | 94% | 0.942 | 75% | 0.746 | S | S | * | * | trans | -52.4 | 113 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 47 | S | 38.4 | Very low | 40 | Very low | 99 Ų | 99 | 129.6 Ų | 129.6 | 69% | 0.692 | 75% | 0.751 | S | S | * | * | trans | -122.9 | 147.4 | 165.6 | 35.9 | 0 | 0 | 0 | 0 | 108.2 | P45 | P45-S47 PolarHBondContact O-N 3.38Š| ||
| 48 | P | 42.4 | Very low | 40.7 | Very low | 126 Ų | 126 | 130.1 Ų | 130.1 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 135.6 | -153 | 28.9 | -34.3 | 0 | 0 | 0 | 111 | S50 | P48-S50 PolarHBondContact O-N 3.36Š|
| 49 | L | 41.9 | Very low | 41 | Very low | 150 Ų | 150 | 131.1 Ų | 131.1 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 128 | 178.1 | -71.4 | 165.3 | 0 | 0 | 0 | 110.1 | ||
| 50 | S | 41 | Very low | 41.8 | Very low | 81 Ų | 81 | 133.4 Ų | 133.4 | 57% | 0.566 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 148.2 | 174.3 | 61.6 | 0 | 0 | 0 | 0 | 112 | P48 R52 | P48-S50 PolarHBondContact O-N 3.36Å; S50-R52 PolarHBondContact O-N 3.48Å |
| 51 | D | 47.4 | Very low | 42.4 | Very low | 151 Ų | 151 | 136.6 Ų | 136.6 | 81% | 0.807 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.4 | 25.7 | 175.3 | -92.2 | -36.4 | 0 | 0 | 0 | 116 | I54 | D51-I54 VanDerWaalsContact OD1-CD1 3.3Å; D51-I54 WeakPolarHBondContact OD1-CD1 3.49Å |
| 52 | R | 47 | Very low | 42.8 | Very low | 219 Ų | 219 | 139.1 Ų | 139.1 | 83% | 0.826 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.3 | -3.7 | 178.6 | -118.1 | 176.4 | 160.8 | -171.6 | -5.3 | 114.4 | S50 | S50-R52 PolarHBondContact O-N 3.48Š|
| 53 | D | 47.3 | Very low | 43.7 | Very low | 95 Ų | 95 | 139.5 Ų | 139.5 | 51% | 0.508 | 75% | 0.749 | S | S | . | * | S | Bend | trans | -101.5 | 4.1 | 174.9 | -73.8 | -39.4 | 0 | 0 | 0 | 114.4 | C55 | D53-C55 PolarHBondContact O-N 3.11Š|
| 54 | I | 46.5 | Very low | 43.6 | Very low | 129 Ų | 129 | 135.3 Ų | 135.3 | 66% | 0.662 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | 12.8 | 176.6 | -49.5 | 178.6 | 0 | 0 | 0 | 111.6 | D51 | D51-I54 VanDerWaalsContact OD1-CD1 3.3Å; D51-I54 WeakPolarHBondContact OD1-CD1 3.49Å |
| 55 | C | 44.9 | Very low | 44.2 | Very low | 113 Ų | 113 | 140.6 Ų | 140.6 | 76% | 0.764 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | 12 | 174.2 | -107.6 | 0 | 0 | 0 | 0 | 114.4 | D53 | D53-C55 PolarHBondContact O-N 3.11Š|
| 56 | H | 42.4 | Very low | 44.4 | Very low | 111 Ų | 111 | 138 Ų | 138 | 51% | 0.514 | 74% | 0.74 | S | S | . | * | S | Bend | trans | -114.3 | -7.3 | 179.2 | -84.2 | -82.1 | 0 | 0 | 0 | 116.2 | R59 | H56-R59 PolarHBondContact CE1-NH2 3.01Š|
| 57 | Q | 42.2 | Very low | 44.5 | Very low | 164 Ų | 164 | 137 Ų | 137 | 77% | 0.766 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -10.5 | 178.7 | -114.6 | 87.6 | 4.7 | 0 | 0 | 115.3 | ||
| 58 | L | 44.8 | Very low | 45.5 | Very low | 169 Ų | 169 | 139 Ų | 139 | 89% | 0.885 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.8 | 29.2 | 175.3 | -67.7 | 175 | 0 | 0 | 0 | 112.8 | ||
| 59 | R | 36.7 | Very low | 46.8 | Very low | 169 Ų | 169 | 138.4 Ų | 138.4 | 64% | 0.638 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -60.8 | 131.7 | 145.3 | -73.6 | -174.2 | -174.6 | 176.2 | 0.2 | 105.5 | H56 R61 | H56-R59 PolarHBondContact CE1-NH2 3.01Å; R59-R61 VanDerWaalsContact C-N 3.29Å; R59-R61 PolarHBondContact O-N 2.89Å |
| 60 | P | 46.3 | Very low | 48.4 | Very low | 117 Ų | 117 | 134 Ų | 134 | 76% | 0.76 | 70% | 0.698 | S | S | * | * | trans | -49.8 | 113.9 | 153.8 | -12.1 | 25 | 0 | 0 | 0 | 102.9 | E62 | P60-E62 VanDerWaalsContact C-N 3.29Å; P60-E62 PolarHBondContact O-N 3.25Å | ||
| 61 | R | 43.5 | Very low | 50.4 | Low | 229 Ų | 229 | 132.3 Ų | 132.3 | 86% | 0.864 | 69% | 0.686 | S | S | * | * | trans | -49.4 | 113.1 | 168.5 | -75.5 | -177.7 | 176.3 | -153.6 | -1.3 | 102.5 | R59 A63 | R59-R61 VanDerWaalsContact C-N 3.29Å; R59-R61 PolarHBondContact O-N 2.89Å; R61-A63 PolarHBondContact O-N 3.27Å | ||
| 62 | E | 43.2 | Very low | 52.4 | Low | 188 Ų | 188 | 133.5 Ų | 133.5 | 88% | 0.879 | 68% | 0.684 | S | S | * | * | trans | -45.7 | 110.2 | 159.6 | -75.7 | -176.6 | 138.5 | 0 | 0 | 102.4 | P60 S64 | P60-E62 VanDerWaalsContact C-N 3.29Å; P60-E62 PolarHBondContact O-N 3.25Å; E62-S64 PolarHBondContact O-N 3.45Å | ||
| 63 | A | 47.5 | Very low | 54.3 | Low | 79 Ų | 79 | 124 Ų | 124 | 65% | 0.653 | 65% | 0.654 | S | S | * | * | trans | -57.1 | 103.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 103.2 | R61 Y65 | R61-A63 PolarHBondContact O-N 3.27Å; A63-Y65 PolarHBondContact O-N 3.46Å | ||
| 64 | S | 43 | Very low | 56.5 | Low | 114 Ų | 114 | 120.5 Ų | 120.5 | 80% | 0.797 | 64% | 0.637 | S | S | * | * | trans | -48.3 | 117.4 | 174.3 | 175.6 | 0 | 0 | 0 | 0 | 104 | E62 G66 | E62-S64 PolarHBondContact O-N 3.45Å; S64-G66 PolarHBondContact O-N 2.98Å | ||
| 65 | Y | 51 | Low | 58.7 | Low | 229 Ų | 229 | 117.5 Ų | 117.5 | 90% | 0.898 | 63% | 0.628 | S | S | * | * | trans | -66.1 | 59.1 | -178.2 | -73.9 | -91.8 | 0 | 0 | 0 | 109.6 | A63 A67 | A63-Y65 PolarHBondContact O-N 3.46Å; Y65-A67 VanDerWaalsContact C-N 3.33Å; Y65-A67 PolarHBondContact O-N 3.19Å | ||
| 66 | G | 44 | Very low | 60.8 | Low | 51 Ų | 51 | 116.1 Ų | 116.1 | 53% | 0.526 | 62% | 0.615 | S | S | . | * | trans | -69.4 | 101.7 | 146.1 | 0 | 0 | 0 | 0 | 0 | 104.9 | S64 Y68 | S64-G66 PolarHBondContact O-N 2.98Å; G66-Y68 VanDerWaalsContact C-N 3.26Å; G66-Y68 PolarHBondContact O-N 3.39Å | ||
| 67 | A | 52.4 | Low | 63.2 | Low | 93 Ų | 93 | 113.3 Ų | 113.3 | 77% | 0.769 | 61% | 0.608 | S | S | * | * | trans | -59.4 | 82.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y65 P69 | Y65-A67 VanDerWaalsContact C-N 3.33Å; Y65-A67 PolarHBondContact O-N 3.19Å; A67-P69 VanDerWaalsContact O-CD 3.25Å; A67-P69 WeakPolarHBondContact O-CD 3.26Å | ||
| 68 | Y | 60.4 | Low | 65.4 | Low | 143 Ų | 143 | 107.6 Ų | 107.6 | 56% | 0.561 | 59% | 0.586 | S | S | * | * | trans | -66.1 | 115.2 | 160.2 | -91.7 | -92.8 | 0 | 0 | 0 | 106.4 | G66 I70 C71 | G66-Y68 VanDerWaalsContact C-N 3.26Å; G66-Y68 PolarHBondContact O-N 3.39Å; Y68-I70 PolarHBondContact O-N 3.23Å; Y68-C71 PolarHBondContact O-N 3.44Å | ||
| 69 | P | 68.9 | Low | 67.3 | Low | 113 Ų | 113 | 109.6 Ų | 109.6 | 73% | 0.734 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -56.1 | -27.6 | -175.2 | -23.3 | 32.9 | 0 | 0 | 0 | 112.8 | A67 C71 | A67-P69 VanDerWaalsContact O-CD 3.25Å; A67-P69 WeakPolarHBondContact O-CD 3.26Å; P69-C71 PolarHBondContact O-N 3.37Å |
| 70 | I | 75.7 | Confident | 69.7 | Low | 57 Ų | 57 | 107.5 Ų | 107.5 | 29% | 0.292 | 58% | 0.583 | S | S | . | * | G | 310 helix | trans | -71.6 | -24.8 | -172.9 | -53.1 | 170.4 | 0 | 0 | 0 | 112.5 | Y68 Y102 E104 | Y68-I70 PolarHBondContact O-N 3.23Å; I70-Y102 HydrophobicContact CG2-CD2 3.66Å; I70-Y102 HydrophobicContact CG2-CE2 4.14Å; I70-E104 HydrophobicContact CG2-CG 4.41Å |
| 71 | C | 84.1 | Confident | 71.8 | Confident | 45 Ų | 45 | 106.7 Ų | 106.7 | 30% | 0.304 | 57% | 0.572 | S | S | . | * | G | 310 helix | trans | -96.3 | 11.7 | -176.6 | -59.8 | 0 | 0 | 0 | 0 | 114.1 | Y68 P69 G73 C74 C77 | Y68-C71 PolarHBondContact O-N 3.44Å; P69-C71 PolarHBondContact O-N 3.37Å; C71-G73 PolarHBondContact O-N 3.49Å; C71-C74 HydrophobicContact CB-CB 4.44Å; C71-C74 WeakPolarHBondContact O-CB 3.21Å; C71-C74 PolarHBondContact O-N 3.31Å; C71-C77 HydrophobicContact CB-CB 3.76Å; C71-C77 WeakPolarHBondContact CB-SG 3.26Å; C71-C77 WeakPolarHBondContact SG-CB 3.49Å; C71-C77 CovalentContact SG-SG 2.03Å; C71-C77 PolarHBondContact SG-SG 3.14Å |
| 72 | K | 88.1 | Confident | 74.1 | Confident | 176 Ų | 176 | 96 Ų | 96 | 77% | 0.765 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | 128.3 | -179.9 | -170.3 | 178.6 | 178.6 | -177.7 | 0 | 110.6 | C74 | K72-C74 PolarHBondContact O-N 3.46Š|
| 73 | G | 88.6 | Confident | 76.5 | Confident | 20 Ų | 20 | 87.2 Ų | 87.2 | 21% | 0.206 | 49% | 0.493 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 15.4 | -179 | 0 | 0 | 0 | 0 | 0 | 114.5 | C71 Q87 L90 | C71-G73 PolarHBondContact O-N 3.49Å; G73-Q87 WeakPolarHBondContact O-CG 3.32Å; G73-Q87 PolarHBondContact O-N 3.21Å; G73-L90 VanDerWaalsContact O-CD1 3.27Å; G73-L90 WeakPolarHBondContact O-CD1 3.25Å |
| 74 | C | 92.6 | Very high | 78.5 | Confident | 22 Ų | 22 | 87.2 Ų | 87.2 | 15% | 0.149 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 137 | 179.4 | -166.7 | 0 | 0 | 0 | 0 | 111.5 | C71 K72 V76 C77 C83 N85 | C71-C74 HydrophobicContact CB-CB 4.44Å; C71-C74 WeakPolarHBondContact O-CB 3.21Å; C71-C74 PolarHBondContact O-N 3.31Å; K72-C74 PolarHBondContact O-N 3.46Å; C74-V76 PolarHBondContact SG-O 3.15Å; C74-C77 HydrophobicContact CB-CB 4.37Å; C74-C83 VanDerWaalsContact CA-SG 3.56Å; C74-C83 HydrophobicContact CB-CB 3.77Å; C74-C83 WeakPolarHBondContact CB-SG 3.05Å; C74-C83 WeakPolarHBondContact SG-CA 3.46Å; C74-C83 WeakPolarHBondContact SG-CB 3.39Å; C74-C83 CovalentContact SG-SG 2.02Å; C74-C83 PolarHBondContact SG-SG 3.32Å; C74-N85 PolarHBondContact SG-O 3.42Å |
| 75 | S | 91.9 | Very high | 80.9 | Confident | 66 Ų | 66 | 84.8 Ų | 84.8 | 46% | 0.462 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | -34.3 | 171.3 | 61.1 | 0 | 0 | 0 | 0 | 112.3 | N85 C86 | S75-N85 PolarHBondContact N-O 3.13Å; S75-N85 WeakPolarHBondContact OG-CB 3.04Å; S75-N85 PolarHBondContact OG-ND2 3.23Å; S75-N85 VanDerWaalsContact OG-ND2 3.11Å; S75-N85 PolarHBondContact OG-O 3.29Å; S75-C86 PolarHBondContact OG-O 3.44Å |
| 76 | V | 90.6 | Very high | 82.9 | Confident | 83 Ų | 83 | 74.5 Ų | 74.5 | 50% | 0.503 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 108.3 | 177.6 | -177.9 | 0 | 0 | 0 | 0 | 109.5 | C74 V84 N85 | C74-V76 PolarHBondContact SG-O 3.15Å; V76-V84 HydrophobicContact CG1-CB 4.42Å; V76-V84 PolarHBondContact O-N 2.04Å; V76-N85 HydrophobicContact CB-CB 4.19Å; V76-N85 HydrophobicContact CG2-CB 4.3Å; V76-N85 PolarHBondContact N-O 2.64Å; V76-N85 PolarHBondContact O-N 2.78Å |
| 77 | C | 91.3 | Very high | 85.2 | Confident | 53 Ų | 53 | 77 Ų | 77 | 36% | 0.358 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 140.1 | -178.8 | -152.2 | 0 | 0 | 0 | 0 | 112.3 | C71 C74 G82 | C71-C77 HydrophobicContact CB-CB 3.76Å; C71-C77 WeakPolarHBondContact CB-SG 3.26Å; C71-C77 WeakPolarHBondContact SG-CB 3.49Å; C71-C77 CovalentContact SG-SG 2.03Å; C71-C77 PolarHBondContact SG-SG 3.14Å; C74-C77 HydrophobicContact CB-CB 4.37Å; C77-G82 VanDerWaalsContact SG-C 3.51Å; C77-G82 PolarHBondContact SG-O 2.87Å |
| 78 | S | 89.3 | Confident | 86.9 | Confident | 43 Ų | 43 | 78.1 Ų | 78.1 | 30% | 0.301 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 149.1 | 172.5 | 176.7 | 0 | 0 | 0 | 0 | 110.3 | D80 G82 | S78-D80 VanDerWaalsContact C-N 3.34Å; S78-D80 PolarHBondContact O-N 3.35Å; S78-G82 PolarHBondContact N-O 3.28Å; S78-G82 WeakPolarHBondContact O-CA 3.43Å; S78-G82 PolarHBondContact O-N 3.24Å; S78-G82 VanDerWaalsContact O-N 3.12Å |
| 79 | R | 84.6 | Confident | 88.3 | Confident | 212 Ų | 212 | 80 Ų | 80 | 80% | 0.8 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -37.4 | -179.6 | -170.3 | 179.2 | -176.9 | -172.9 | -0.5 | 112.6 | ||
| 80 | D | 86.3 | Confident | 89.5 | Confident | 124 Ų | 124 | 75.3 Ų | 75.3 | 66% | 0.663 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -34.3 | -172.6 | -59.2 | -55.2 | 0 | 0 | 0 | 112.9 | S78 | S78-D80 VanDerWaalsContact C-N 3.34Å; S78-D80 PolarHBondContact O-N 3.35Å |
| 81 | N | 90.5 | Very high | 90.4 | Very high | 100 Ų | 100 | 73 Ų | 73 | 54% | 0.535 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -1.2 | -176.9 | -62.2 | -31.7 | 0 | 0 | 0 | 113.2 | Y102 G103 | N81-Y102 CarbonylContact O-C 3.53Å; N81-Y102 WeakPolarHBondContact O-CA 3.25Å; N81-Y102 WeakPolarHBondContact O-CB 3.39Å; N81-G103 PolarHBondContact O-N 2.87Å |
| 82 | G | 91.9 | Very high | 91 | Very high | 5 Ų | 5 | 71.6 Ų | 71.6 | 5% | 0.052 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 64.1 | -142.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | C77 S78 | C77-G82 VanDerWaalsContact SG-C 3.51Å; C77-G82 PolarHBondContact SG-O 2.87Å; S78-G82 PolarHBondContact N-O 3.28Å; S78-G82 WeakPolarHBondContact O-CA 3.43Å; S78-G82 PolarHBondContact O-N 3.24Å; S78-G82 VanDerWaalsContact O-N 3.12Å |
| 83 | C | 92.9 | Very high | 91.3 | Very high | 4 Ų | 4 | 64.3 Ų | 64.3 | 3% | 0.027 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 130.3 | -178.8 | -170.2 | 0 | 0 | 0 | 0 | 112.7 | C74 N85 G103 C105 | C74-C83 VanDerWaalsContact CA-SG 3.56Å; C74-C83 HydrophobicContact CB-CB 3.77Å; C74-C83 WeakPolarHBondContact CB-SG 3.05Å; C74-C83 WeakPolarHBondContact SG-CA 3.46Å; C74-C83 WeakPolarHBondContact SG-CB 3.39Å; C74-C83 CovalentContact SG-SG 2.02Å; C74-C83 PolarHBondContact SG-SG 3.32Å; C83-N85 VanDerWaalsContact SG-C 3.51Å; C83-N85 PolarHBondContact SG-O 3.12Å; C83-G103 WeakPolarHBondContact CB-O 3.3Å; C83-G103 PolarHBondContact N-O 3.35Å; C83-G103 WeakPolarHBondContact O-CA 3.28Å; C83-C105 PolarHBondContact SG-SG 3.42Å |
| 84 | V | 91.4 | Very high | 91.6 | Very high | 79 Ų | 79 | 67 Ų | 67 | 48% | 0.479 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | -39.6 | 176.1 | -177.2 | 0 | 0 | 0 | 0 | 111 | V76 | V76-V84 HydrophobicContact CG1-CB 4.42Å; V76-V84 PolarHBondContact O-N 2.04Å |
| 85 | N | 91.6 | Very high | 91.6 | Very high | 62 Ų | 62 | 71.2 Ų | 71.2 | 33% | 0.332 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 129.8 | 176.8 | -168.4 | 32 | 0 | 0 | 0 | 111.1 | C74 S75 V76 C83 | C74-N85 PolarHBondContact SG-O 3.42Å; S75-N85 PolarHBondContact N-O 3.13Å; S75-N85 WeakPolarHBondContact OG-CB 3.04Å; S75-N85 PolarHBondContact OG-ND2 3.23Å; S75-N85 VanDerWaalsContact OG-ND2 3.11Å; S75-N85 PolarHBondContact OG-O 3.29Å; V76-N85 HydrophobicContact CB-CB 4.19Å; V76-N85 HydrophobicContact CG2-CB 4.3Å; V76-N85 PolarHBondContact N-O 2.64Å; V76-N85 PolarHBondContact O-N 2.78Å; C83-N85 VanDerWaalsContact SG-C 3.51Å; C83-N85 PolarHBondContact SG-O 3.12Å |
| 86 | C | 93.5 | Very high | 91.6 | Very high | 13 Ų | 13 | 77.4 Ų | 77.4 | 9% | 0.088 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 161.5 | 179.6 | -65.9 | 0 | 0 | 0 | 0 | 111.7 | S75 L90 C105 | S75-C86 PolarHBondContact OG-O 3.44Å; C86-L90 HydrophobicContact CB-CB 3.98Å; C86-C105 WeakPolarHBondContact CA-SG 3.06Å; C86-C105 HydrophobicContact CB-CB 3.89Å; C86-C105 WeakPolarHBondContact CB-SG 3.49Å; C86-C105 VanDerWaalsContact SG-CA 3.53Å; C86-C105 WeakPolarHBondContact SG-CB 3.45Å; C86-C105 CovalentContact SG-SG 2.03Å; C86-C105 PolarHBondContact SG-SG 2.82Å |
| 87 | Q | 91.9 | Very high | 91.6 | Very high | 103 Ų | 103 | 78.4 Ų | 78.4 | 48% | 0.481 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 153.1 | 165.1 | -70.6 | 175.5 | -4.1 | 0 | 0 | 110.5 | G73 L90 | G73-Q87 WeakPolarHBondContact O-CG 3.32Å; G73-Q87 PolarHBondContact O-N 3.21Å; Q87-L90 HydrophobicContact CB-CD1 4.08Å; Q87-L90 PolarHBondContact O-N 3.31Å |
| 88 | P | 88.5 | Confident | 91.6 | Very high | 117 Ų | 117 | 86.9 Ų | 86.9 | 76% | 0.76 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | 144 | 174.8 | -24.7 | 33.6 | 0 | 0 | 0 | 111.3 | L90 | P88-L90 VanDerWaalsContact C-N 3.29Å; P88-L90 PolarHBondContact O-N 2.82Å |
| 89 | K | 89.6 | Confident | 91.7 | Very high | 184 Ų | 184 | 93.2 Ų | 93.2 | 80% | 0.8 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | -16.9 | -175.8 | -48.3 | 173.9 | -179.9 | 179.2 | 0 | 116.6 | ||
| 90 | L | 94.3 | Very high | 91.9 | Very high | 14 Ų | 14 | 92.2 Ų | 92.2 | 7% | 0.073 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -86.4 | 154.9 | 173.4 | -63.1 | 174.4 | 0 | 0 | 0 | 111.1 | G73 C86 Q87 P88 C105 H107 N122 | G73-L90 VanDerWaalsContact O-CD1 3.27Å; G73-L90 WeakPolarHBondContact O-CD1 3.25Å; C86-L90 HydrophobicContact CB-CB 3.98Å; Q87-L90 HydrophobicContact CB-CD1 4.08Å; Q87-L90 PolarHBondContact O-N 3.31Å; P88-L90 VanDerWaalsContact C-N 3.29Å; P88-L90 PolarHBondContact O-N 2.82Å; L90-C105 HydrophobicContact CB-CB 4.22Å; L90-C105 HydrophobicContact CD1-CB 3.95Å; L90-H107 VanDerWaalsContact CD2-CE1 3.43Å; L90-H107 WeakPolarHBondContact CD2-CE1 3.25Å; L90-H107 WeakPolarHBondContact CD2-ND1 3.05Å; L90-N122 WeakPolarHBondContact O-CB 3.37Å |
| 91 | F | 95.8 | Very high | 92.2 | Very high | 7 Ų | 7 | 91.6 Ų | 91.6 | 3% | 0.031 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 131 | 174.7 | -65.2 | -91.9 | 0 | 0 | 0 | 111.1 | F93 C105 L106 H107 G115 R117 N122 C124 | F91-F93 PolarHBondContact O-N 2.91Å; F91-C105 WeakPolarHBondContact O-CA 3.36Å; F91-L106 PolarHBondContact N-O 2.86Å; F91-L106 PolarHBondContact O-N 3.22Å; F91-H107 WeakPolarHBondContact CD2-O 3.26Å; F91-H107 WeakPolarHBondContact CE2-O 2.92Å; F91-G115 VanDerWaalsContact CE1-CA 3.45Å; F91-R117 HydrophobicContact CE1-CG 4.1Å; F91-R117 HydrophobicContact CZ-CG 4.32Å; F91-N122 WeakPolarHBondContact CA-O 3.37Å; F91-N122 HydrophobicContact CD1-CB 3.56Å; F91-N122 HydrophobicContact CE1-CB 3.82Å; F91-N122 HydrophobicContact CG-CB 4.14Å; F91-C124 VanDerWaalsContact CB-SG 3.55Å |
| 92 | L | 94.9 | Very high | 92.3 | Very high | 17 Ų | 17 | 88 Ų | 88 | 9% | 0.089 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 120.5 | 168.9 | -178.5 | 64.3 | 0 | 0 | 0 | 109.7 | N122 M123 C124 | L92-N122 PolarHBondContact N-O 3.2Å; L92-M123 CarbonylContact O-C 3.58Å; L92-M123 WeakPolarHBondContact O-CA 3.46Å; L92-M123 WeakPolarHBondContact O-CG 3.22Å; L92-C124 PolarHBondContact O-N 3.15Å |
| 93 | F | 95.4 | Very high | 92.3 | Very high | 22 Ų | 22 | 87.9 Ų | 87.9 | 10% | 0.096 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 124.6 | 174.5 | 174.7 | -112.8 | 0 | 0 | 0 | 110 | F91 R95 G103 E104 L106 P110 Y113 C124 | F91-F93 PolarHBondContact O-N 2.91Å; F93-R95 HydrophobicContact CD1-CB 4.06Å; F93-R95 HydrophobicContact CE1-CB 3.72Å; F93-R95 HydrophobicContact CE1-CG 4.04Å; F93-R95 PolarHBondContact O-N 2.84Å; F93-G103 CarbonylContact O-C 3.51Å; F93-G103 WeakPolarHBondContact O-CA 3.36Å; F93-E104 PolarHBondContact N-O 2.8Å; F93-E104 PolarHBondContact O-N 2.85Å; F93-L106 HydrophobicContact CB-CD1 3.67Å; F93-L106 HydrophobicContact CB-CG 4.14Å; F93-L106 HydrophobicContact CD1-CD1 3.96Å; F93-L106 HydrophobicContact CG-CD1 3.87Å; F93-P110 HydrophobicContact CD2-CG 3.99Å; F93-P110 HydrophobicContact CE1-CG 4.36Å; F93-P110 HydrophobicContact CE2-CG 3.59Å; F93-P110 HydrophobicContact CZ-CG 3.81Å; F93-Y113 HydrophobicContact CD2-CD1 4.23Å; F93-Y113 HydrophobicContact CD2-CE1 4.28Å; F93-Y113 AromaticContact CE2-CD1 3.86Å; F93-Y113 HydrophobicContact CE2-CD1 3.86Å; F93-Y113 HydrophobicContact CE2-CD2 4.08Å; F93-Y113 AromaticContact CE2-CE1 3.63Å; F93-Y113 HydrophobicContact CE2-CE1 3.63Å; F93-Y113 AromaticContact CE2-CE2 3.89Å; F93-Y113 HydrophobicContact CE2-CE2 3.89Å; F93-Y113 HydrophobicContact CE2-CG 4.09Å; F93-Y113 AromaticContact CE2-CZ 3.66Å; F93-Y113 HydrophobicContact CZ-CE2 4.4Å; F93-C124 HydrophobicContact CB-CB 4.2Å; F93-C124 HydrophobicContact CD2-CB 3.84Å |
| 94 | L | 93.9 | Very high | 92.4 | Very high | 76 Ų | 76 | 89.2 Ų | 89.2 | 40% | 0.398 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 101.3 | 176.2 | -65 | 174.7 | 0 | 0 | 0 | 109.6 | Q101 | L94-Q101 HydrophobicContact CB-CG 4.45Å |
| 95 | R | 93.3 | Very high | 92.5 | Very high | 112 Ų | 112 | 86.3 Ų | 86.3 | 42% | 0.423 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 130.6 | 177.8 | -169.3 | 167.1 | -178.1 | 175.6 | 1.1 | 110 | F93 Q101 Y102 E104 | F93-R95 HydrophobicContact CD1-CB 4.06Å; F93-R95 HydrophobicContact CE1-CB 3.72Å; F93-R95 HydrophobicContact CE1-CG 4.04Å; F93-R95 PolarHBondContact O-N 2.84Å; R95-Q101 WeakPolarHBondContact O-CA 3.42Å; R95-Y102 HydrophobicContact CB-CD2 4.32Å; R95-Y102 HydrophobicContact CB-CE2 3.99Å; R95-Y102 WeakPolarHBondContact CD-OH 3.29Å; R95-Y102 HydrophobicContact CG-CE2 4.28Å; R95-Y102 PolarHBondContact N-O 2.86Å; R95-Y102 PolarHBondContact O-N 2.94Å; R95-E104 WeakPolarHBondContact CD-OE1 3.09Å; R95-E104 IonicContact CZ-OE1 3.68Å; R95-E104 IonicContact NE-OE1 3.86Å; R95-E104 IonicContact NH1-OE1 3.11Å; R95-E104 PolarHBondContact NH1-OE1 3.04Å; R95-E104 IonicContact NH1-OE2 3.3Å |
| 96 | R | 92.6 | Very high | 92.7 | Very high | 195 Ų | 195 | 85.6 Ų | 85.6 | 74% | 0.736 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 119.9 | 174.4 | -173.5 | 177.5 | 179.3 | -178.1 | 2.8 | 109.4 | R100 | R96-R100 WeakPolarHBondContact CA-O 3.43Å |
| 97 | E | 91 | Very high | 92.7 | Very high | 105 Ų | 105 | 92.1 Ų | 92.1 | 49% | 0.491 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 106.9 | 176.3 | -171.2 | 168.9 | -159.5 | 0 | 0 | 108.4 | M99 R100 Y102 | E97-M99 PolarHBondContact O-N 3.33Å; E97-M99 VanDerWaalsContact O-N 3.1Å; E97-R100 PolarHBondContact N-O 3.31Å; E97-R100 PolarHBondContact O-N 2.04Å; E97-Y102 HydrophobicContact CB-CE1 3.9Å; E97-Y102 PolarHBondContact OE2-OH 2.79Å |
| 98 | R | 90.1 | Very high | 92.8 | Very high | 230 Ų | 230 | 93.4 Ų | 93.4 | 87% | 0.868 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | -113.4 | -172 | -53.1 | 179.7 | 179.7 | -133.1 | 0.5 | 111.2 | ||
| 99 | M | 91.4 | Very high | 93.1 | Very high | 177 Ų | 177 | 89.2 Ų | 89.2 | 87% | 0.872 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -8.2 | -179.9 | -64.3 | -62.1 | -70.9 | 0 | 0 | 113.1 | E97 | E97-M99 PolarHBondContact O-N 3.33Å; E97-M99 VanDerWaalsContact O-N 3.1Å |
| 100 | R | 88.6 | Confident | 93.3 | Very high | 190 Ų | 190 | 82.7 Ų | 82.7 | 72% | 0.717 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 143.5 | 179.3 | -69.5 | -175.7 | 174.6 | 170 | -2.6 | 110.1 | R96 E97 | R96-R100 WeakPolarHBondContact CA-O 3.43Å; E97-R100 PolarHBondContact N-O 3.31Å; E97-R100 PolarHBondContact O-N 2.04Å |
| 101 | Q | 92.8 | Very high | 93.1 | Very high | 111 Ų | 111 | 86.8 Ų | 86.8 | 52% | 0.519 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 125.8 | 170.2 | -177.8 | 175.2 | -3.4 | 0 | 0 | 107.5 | L94 R95 | L94-Q101 HydrophobicContact CB-CG 4.45Å; R95-Q101 WeakPolarHBondContact O-CA 3.42Å |
| 102 | Y | 92.3 | Very high | 92.8 | Very high | 26 Ų | 26 | 87.8 Ų | 87.8 | 10% | 0.102 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 151.1 | -179.5 | 56.9 | -90.3 | 0 | 0 | 0 | 110.6 | I70 N81 R95 E97 E104 | I70-Y102 HydrophobicContact CG2-CD2 3.66Å; I70-Y102 HydrophobicContact CG2-CE2 4.14Å; N81-Y102 CarbonylContact O-C 3.53Å; N81-Y102 WeakPolarHBondContact O-CA 3.25Å; N81-Y102 WeakPolarHBondContact O-CB 3.39Å; R95-Y102 HydrophobicContact CB-CD2 4.32Å; R95-Y102 HydrophobicContact CB-CE2 3.99Å; R95-Y102 WeakPolarHBondContact CD-OH 3.29Å; R95-Y102 HydrophobicContact CG-CE2 4.28Å; R95-Y102 PolarHBondContact N-O 2.86Å; R95-Y102 PolarHBondContact O-N 2.94Å; E97-Y102 HydrophobicContact CB-CE1 3.9Å; E97-Y102 PolarHBondContact OE2-OH 2.79Å; Y102-E104 HydrophobicContact CD2-CG 4Å; Y102-E104 HydrophobicContact CE2-CG 3.85Å; Y102-E104 VanDerWaalsContact CE2-OE1 3.28Å; Y102-E104 WeakPolarHBondContact CE2-OE1 3.02Å |
| 103 | G | 93.3 | Very high | 92.7 | Very high | 2 Ų | 2 | 89.6 Ų | 89.6 | 2% | 0.021 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 136.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | N81 C83 F93 | N81-G103 PolarHBondContact O-N 2.87Å; C83-G103 WeakPolarHBondContact CB-O 3.3Å; C83-G103 PolarHBondContact N-O 3.35Å; C83-G103 WeakPolarHBondContact O-CA 3.28Å; F93-G103 CarbonylContact O-C 3.51Å; F93-G103 WeakPolarHBondContact O-CA 3.36Å |
| 104 | E | 93.9 | Very high | 92.7 | Very high | 32 Ų | 32 | 89.6 Ų | 89.6 | 15% | 0.15 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 148.3 | 168.8 | -67.4 | 179.2 | 170.6 | 0 | 0 | 108.7 | I70 F93 R95 Y102 | I70-E104 HydrophobicContact CG2-CG 4.41Å; F93-E104 PolarHBondContact N-O 2.8Å; F93-E104 PolarHBondContact O-N 2.85Å; R95-E104 WeakPolarHBondContact CD-OE1 3.09Å; R95-E104 IonicContact CZ-OE1 3.68Å; R95-E104 IonicContact NE-OE1 3.86Å; R95-E104 IonicContact NH1-OE1 3.11Å; R95-E104 PolarHBondContact NH1-OE1 3.04Å; R95-E104 IonicContact NH1-OE2 3.3Å; Y102-E104 HydrophobicContact CD2-CG 4Å; Y102-E104 HydrophobicContact CE2-CG 3.85Å; Y102-E104 VanDerWaalsContact CE2-OE1 3.28Å; Y102-E104 WeakPolarHBondContact CE2-OE1 3.02Å |
| 105 | C | 94.5 | Very high | 92.7 | Very high | 18 Ų | 18 | 87.4 Ų | 87.4 | 12% | 0.122 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 123.2 | 174.1 | -61.4 | 0 | 0 | 0 | 0 | 110.4 | C83 C86 L90 F91 | C83-C105 PolarHBondContact SG-SG 3.42Å; C86-C105 WeakPolarHBondContact CA-SG 3.06Å; C86-C105 HydrophobicContact CB-CB 3.89Å; C86-C105 WeakPolarHBondContact CB-SG 3.49Å; C86-C105 VanDerWaalsContact SG-CA 3.53Å; C86-C105 WeakPolarHBondContact SG-CB 3.45Å; C86-C105 CovalentContact SG-SG 2.03Å; C86-C105 PolarHBondContact SG-SG 2.82Å; L90-C105 HydrophobicContact CB-CB 4.22Å; L90-C105 HydrophobicContact CD1-CB 3.95Å; F91-C105 WeakPolarHBondContact O-CA 3.36Å |
| 106 | L | 94.9 | Very high | 92.7 | Very high | 47 Ų | 47 | 85.8 Ų | 85.8 | 25% | 0.246 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 151.4 | -176.9 | -57 | 178.6 | 0 | 0 | 0 | 111 | F91 F93 D108 | F91-L106 PolarHBondContact N-O 2.86Å; F91-L106 PolarHBondContact O-N 3.22Å; F93-L106 HydrophobicContact CB-CD1 3.67Å; F93-L106 HydrophobicContact CB-CG 4.14Å; F93-L106 HydrophobicContact CD1-CD1 3.96Å; F93-L106 HydrophobicContact CG-CD1 3.87Å; L106-D108 WeakPolarHBondContact CB-O 3.13Å |
| 107 | H | 94.1 | Very high | 92.7 | Very high | 150 Ų | 150 | 85.3 Ų | 85.3 | 69% | 0.694 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -72.9 | -39.7 | 170.8 | -74.6 | -75.7 | 0 | 0 | 0 | 111.5 | L90 F91 | L90-H107 VanDerWaalsContact CD2-CE1 3.43Å; L90-H107 WeakPolarHBondContact CD2-CE1 3.25Å; L90-H107 WeakPolarHBondContact CD2-ND1 3.05Å; F91-H107 WeakPolarHBondContact CD2-O 3.26Å; F91-H107 WeakPolarHBondContact CE2-O 2.92Å |
| 108 | D | 93.8 | Very high | 92.6 | Very high | 130 Ų | 130 | 82.7 Ų | 82.7 | 70% | 0.695 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -133.8 | 148 | 177.7 | -66.9 | -53.5 | 0 | 0 | 0 | 110.4 | L106 | L106-D108 WeakPolarHBondContact CB-O 3.13Š|
| 109 | C | 94.2 | Very high | 92.4 | Very high | 29 Ų | 29 | 77.6 Ų | 77.6 | 20% | 0.196 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -74.5 | 143.3 | 179.8 | -63.5 | 0 | 0 | 0 | 0 | 111.6 | G115 C124 | C109-G115 VanDerWaalsContact SG-CA 3.54Å; C109-C124 WeakPolarHBondContact CA-SG 3.28Å; C109-C124 HydrophobicContact CB-CB 3.82Å; C109-C124 WeakPolarHBondContact CB-SG 3.1Å; C109-C124 WeakPolarHBondContact SG-CA 3.47Å; C109-C124 WeakPolarHBondContact SG-CB 3.42Å; C109-C124 CovalentContact SG-SG 2.04Å; C109-C124 PolarHBondContact SG-SG 3.32Å |
| 110 | P | 93.4 | Very high | 92 | Very high | 46 Ų | 46 | 76 Ų | 76 | 30% | 0.299 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 167.7 | -179.8 | 29.2 | -34.8 | 0 | 0 | 0 | 112.3 | F93 G112 Y113 | F93-P110 HydrophobicContact CD2-CG 3.99Å; F93-P110 HydrophobicContact CE1-CG 4.36Å; F93-P110 HydrophobicContact CE2-CG 3.59Å; F93-P110 HydrophobicContact CZ-CG 3.81Å; P110-G112 PolarHBondContact O-N 3.08Å; P110-Y113 HydrophobicContact CG-CD2 3.96Å; P110-Y113 HydrophobicContact CG-CG 4.32Å; P110-Y113 WeakPolarHBondContact O-CB 3.44Å; P110-Y113 PolarHBondContact O-N 2.94Å |
| 111 | A | 89.8 | Confident | 92 | Very high | 101 Ų | 101 | 70.1 Ų | 70.1 | 84% | 0.835 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 137 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y113 | A111-Y113 VanDerWaalsContact C-N 3.29Š|
| 112 | G | 90 | Very high | 92 | Very high | 27 Ų | 27 | 66.5 Ų | 66.5 | 28% | 0.278 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 6.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | P110 C127 | P110-G112 PolarHBondContact O-N 3.08Å; G112-C127 VanDerWaalsContact O-CB 3.31Å; G112-C127 WeakPolarHBondContact O-CB 2.9Å; G112-C127 PolarHBondContact O-N 3.43Å |
| 113 | Y | 93.9 | Very high | 92.1 | Very high | 55 Ų | 55 | 68 Ų | 68 | 22% | 0.216 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 152 | 172.6 | -67 | -107 | 0 | 0 | 0 | 110.8 | F93 P110 A111 C124 S125 R126 | F93-Y113 HydrophobicContact CD2-CD1 4.23Å; F93-Y113 HydrophobicContact CD2-CE1 4.28Å; F93-Y113 AromaticContact CE2-CD1 3.86Å; F93-Y113 HydrophobicContact CE2-CD1 3.86Å; F93-Y113 HydrophobicContact CE2-CD2 4.08Å; F93-Y113 AromaticContact CE2-CE1 3.63Å; F93-Y113 HydrophobicContact CE2-CE1 3.63Å; F93-Y113 AromaticContact CE2-CE2 3.89Å; F93-Y113 HydrophobicContact CE2-CE2 3.89Å; F93-Y113 HydrophobicContact CE2-CG 4.09Å; F93-Y113 AromaticContact CE2-CZ 3.66Å; F93-Y113 HydrophobicContact CZ-CE2 4.4Å; P110-Y113 HydrophobicContact CG-CD2 3.96Å; P110-Y113 HydrophobicContact CG-CG 4.32Å; P110-Y113 WeakPolarHBondContact O-CB 3.44Å; P110-Y113 PolarHBondContact O-N 2.94Å; A111-Y113 VanDerWaalsContact C-N 3.29Å; Y113-C124 HydrophobicContact CD1-CB 4.33Å; Y113-S125 CarbonylContact C-O 3.59Å; Y113-S125 WeakPolarHBondContact CA-O 3.37Å; Y113-R126 HydrophobicContact CD1-CB 3.99Å; Y113-R126 HydrophobicContact CE1-CB 3.66Å; Y113-R126 HydrophobicContact CE1-CG 4.44Å; Y113-R126 PolarHBondContact OH-NE 3.17Å; Y113-R126 PolarHBondContact OH-NH2 2.93Å; Y113-R126 VanDerWaalsContact OH-NH2 3.08Å |
| 114 | Y | 94.7 | Very high | 92.2 | Very high | 23 Ų | 23 | 68.4 Ų | 68.4 | 9% | 0.09 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 146.8 | 173.8 | 70.4 | -86.1 | 0 | 0 | 0 | 110.1 | M116 S125 C135 F136 K138 | Y114-M116 HydrophobicContact CE2-CB 4.47Å; Y114-M116 HydrophobicContact CE2-CE 4.28Å; Y114-S125 VanDerWaalsContact CD1-O 3.26Å; Y114-S125 WeakPolarHBondContact CD1-O 3.2Å; Y114-S125 PolarHBondContact N-O 3.39Å; Y114-S125 PolarHBondContact O-N 3.5Å; Y114-C135 WeakPolarHBondContact CB-O 3.46Å; Y114-C135 VanDerWaalsContact CD1-SG 3.59Å; Y114-F136 WeakPolarHBondContact CD2-O 3.49Å; Y114-K138 WeakPolarHBondContact OH-CB 3.37Å |
| 115 | G | 94.6 | Very high | 92.2 | Very high | 30 Ų | 30 | 67.8 Ų | 67.8 | 31% | 0.309 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 119.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F91 C109 | F91-G115 VanDerWaalsContact CE1-CA 3.45Å; C109-G115 VanDerWaalsContact SG-CA 3.54Å |
| 116 | M | 93.6 | Very high | 92.2 | Very high | 78 Ų | 78 | 74.7 Ų | 74.7 | 38% | 0.384 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 127 | 171.1 | -174 | -173.8 | -64.2 | 0 | 0 | 109.1 | Y114 N122 M123 | Y114-M116 HydrophobicContact CE2-CB 4.47Å; Y114-M116 HydrophobicContact CE2-CE 4.28Å; M116-N122 CarbonylContact O-C 3.52Å; M116-N122 VanDerWaalsContact O-CA 3.25Å; M116-N122 WeakPolarHBondContact O-CA 3.49Å; M116-M123 PolarHBondContact N-O 3.43Å; M116-M123 PolarHBondContact O-N 2.72Å |
| 117 | R | 92.1 | Very high | 92.1 | Very high | 184 Ų | 184 | 73.5 Ų | 73.5 | 69% | 0.694 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 104.6 | 175.2 | -64.2 | -173 | 167.7 | 84.8 | -1 | 109.5 | F91 N122 | F91-R117 HydrophobicContact CE1-CG 4.1Å; F91-R117 HydrophobicContact CZ-CG 4.32Å; R117-N122 VanDerWaalsContact CA-OD1 3.31Å; R117-N122 WeakPolarHBondContact CA-OD1 3.47Å; R117-N122 WeakPolarHBondContact CB-OD1 3.03Å; R117-N122 WeakPolarHBondContact CG-OD1 3.37Å |
| 118 | S | 88.2 | Confident | 92.1 | Very high | 50 Ų | 50 | 76 Ų | 76 | 35% | 0.35 | 40% | 0.398 | S | S | . | . | trans | -96.4 | 156.1 | 171.7 | -153.3 | 0 | 0 | 0 | 0 | 109.4 | E120 I121 | S118-E120 WeakPolarHBondContact CB-OE2 3.46Å; S118-E120 PolarHBondContact O-N 3.31Å; S118-E120 VanDerWaalsContact O-N 3.14Å; S118-E120 PolarHBondContact OG-OE2 2.79Å; S118-I121 WeakPolarHBondContact CB-O 3.35Å; S118-I121 PolarHBondContact N-O 3.36Å; S118-I121 VanDerWaalsContact N-O 3.13Å | ||
| 119 | P | 86.8 | Confident | 92.2 | Very high | 124 Ų | 124 | 70.5 Ų | 70.5 | 81% | 0.805 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -55.9 | -27.5 | 173.4 | -24.3 | 33.9 | 0 | 0 | 0 | 113.5 | ||
| 120 | E | 82.9 | Confident | 92.1 | Very high | 143 Ų | 143 | 74.7 Ų | 74.7 | 67% | 0.668 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -94 | -48.5 | -175.2 | -52 | 73.5 | -157.4 | 0 | 0 | 112.3 | S118 | S118-E120 WeakPolarHBondContact CB-OE2 3.46Å; S118-E120 PolarHBondContact O-N 3.31Å; S118-E120 VanDerWaalsContact O-N 3.14Å; S118-E120 PolarHBondContact OG-OE2 2.79Å |
| 121 | I | 87.1 | Confident | 92.1 | Very high | 67 Ų | 67 | 75.3 Ų | 75.3 | 34% | 0.344 | 39% | 0.39 | S | S | . | . | trans | -146.1 | 143.5 | -177.5 | 56.8 | 171.5 | 0 | 0 | 0 | 111.4 | S118 | S118-I121 WeakPolarHBondContact CB-O 3.35Å; S118-I121 PolarHBondContact N-O 3.36Å; S118-I121 VanDerWaalsContact N-O 3.13Å | ||
| 122 | N | 94 | Very high | 92.3 | Very high | 34 Ų | 34 | 71.1 Ų | 71.1 | 18% | 0.182 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 132.4 | 165.2 | -50.5 | -54.3 | 0 | 0 | 0 | 108.5 | L90 F91 L92 M116 R117 | L90-N122 WeakPolarHBondContact O-CB 3.37Å; F91-N122 WeakPolarHBondContact CA-O 3.37Å; F91-N122 HydrophobicContact CD1-CB 3.56Å; F91-N122 HydrophobicContact CE1-CB 3.82Å; F91-N122 HydrophobicContact CG-CB 4.14Å; L92-N122 PolarHBondContact N-O 3.2Å; M116-N122 CarbonylContact O-C 3.52Å; M116-N122 VanDerWaalsContact O-CA 3.25Å; M116-N122 WeakPolarHBondContact O-CA 3.49Å; R117-N122 VanDerWaalsContact CA-OD1 3.31Å; R117-N122 WeakPolarHBondContact CA-OD1 3.47Å; R117-N122 WeakPolarHBondContact CB-OD1 3.03Å; R117-N122 WeakPolarHBondContact CG-OD1 3.37Å |
| 123 | M | 94.3 | Very high | 92.5 | Very high | 59 Ų | 59 | 74.2 Ų | 74.2 | 29% | 0.291 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 142.9 | -174.7 | 179 | 175.1 | 59.8 | 0 | 0 | 111.5 | L92 M116 S125 | L92-M123 CarbonylContact O-C 3.58Å; L92-M123 WeakPolarHBondContact O-CA 3.46Å; L92-M123 WeakPolarHBondContact O-CG 3.22Å; M116-M123 PolarHBondContact N-O 3.43Å; M116-M123 PolarHBondContact O-N 2.72Å; M123-S125 PolarHBondContact O-N 2.9Å |
| 124 | C | 95.5 | Very high | 92.4 | Very high | 9 Ų | 9 | 73.7 Ų | 73.7 | 6% | 0.061 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 114.4 | 170.6 | -66.4 | 0 | 0 | 0 | 0 | 110.6 | F91 L92 F93 C109 Y113 | F91-C124 VanDerWaalsContact CB-SG 3.55Å; L92-C124 PolarHBondContact O-N 3.15Å; F93-C124 HydrophobicContact CB-CB 4.2Å; F93-C124 HydrophobicContact CD2-CB 3.84Å; C109-C124 WeakPolarHBondContact CA-SG 3.28Å; C109-C124 HydrophobicContact CB-CB 3.82Å; C109-C124 WeakPolarHBondContact CB-SG 3.1Å; C109-C124 WeakPolarHBondContact SG-CA 3.47Å; C109-C124 WeakPolarHBondContact SG-CB 3.42Å; C109-C124 CovalentContact SG-SG 2.04Å; C109-C124 PolarHBondContact SG-SG 3.32Å; Y113-C124 HydrophobicContact CD1-CB 4.33Å |
| 125 | S | 94.1 | Very high | 92.4 | Very high | 20 Ų | 20 | 73 Ų | 73 | 14% | 0.14 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 137.9 | 177.1 | -69.7 | 0 | 0 | 0 | 0 | 110.6 | Y113 Y114 M123 | Y113-S125 CarbonylContact C-O 3.59Å; Y113-S125 WeakPolarHBondContact CA-O 3.37Å; Y114-S125 VanDerWaalsContact CD1-O 3.26Å; Y114-S125 WeakPolarHBondContact CD1-O 3.2Å; Y114-S125 PolarHBondContact N-O 3.39Å; Y114-S125 PolarHBondContact O-N 3.5Å; M123-S125 PolarHBondContact O-N 2.9Å |
| 126 | R | 93.7 | Very high | 92.3 | Very high | 162 Ų | 162 | 79 Ų | 79 | 61% | 0.611 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 137 | 178.6 | 179.9 | 176.9 | -82.7 | 168.2 | -7.2 | 110.4 | Y113 R128 | Y113-R126 HydrophobicContact CD1-CB 3.99Å; Y113-R126 HydrophobicContact CE1-CB 3.66Å; Y113-R126 HydrophobicContact CE1-CG 4.44Å; Y113-R126 PolarHBondContact OH-NE 3.17Å; Y113-R126 PolarHBondContact OH-NH2 2.93Å; Y113-R126 VanDerWaalsContact OH-NH2 3.08Å; R126-R128 PolarHBondContact O-N 3.31Å |
| 127 | C | 94.3 | Very high | 92.3 | Very high | 22 Ų | 22 | 77.1 Ų | 77.1 | 15% | 0.149 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 124.8 | 170.7 | -153 | 0 | 0 | 0 | 0 | 110.9 | G112 C135 | G112-C127 VanDerWaalsContact O-CB 3.31Å; G112-C127 WeakPolarHBondContact O-CB 2.9Å; G112-C127 PolarHBondContact O-N 3.43Å; C127-C135 WeakPolarHBondContact CA-SG 3.38Å; C127-C135 HydrophobicContact CB-CB 4.38Å; C127-C135 WeakPolarHBondContact CB-SG 3.39Å; C127-C135 WeakPolarHBondContact SG-CB 3.31Å; C127-C135 CovalentContact SG-SG 2.03Å; C127-C135 PolarHBondContact SG-SG 3.42Å |
| 128 | R | 93.7 | Very high | 92.2 | Very high | 204 Ų | 204 | 74 Ų | 74 | 77% | 0.77 | 37% | 0.368 | S | S | * | . | trans | -111.4 | 7.3 | 179.1 | -61.6 | -173.7 | -175 | 175.7 | 1.5 | 113.2 | R126 | R126-R128 PolarHBondContact O-N 3.31Š| ||
| 129 | I | 94.4 | Very high | 92.4 | Very high | 14 Ų | 14 | 76.3 Ų | 76.3 | 7% | 0.072 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -79.5 | 127.8 | 179.3 | -54.2 | 173.1 | 0 | 0 | 0 | 108.4 | C132 C135 K138 F140 C141 | I129-C132 HydrophobicContact CB-CB 3.76Å; I129-C132 HydrophobicContact CG2-CB 3.97Å; I129-C132 WeakPolarHBondContact O-CB 2.99Å; I129-C132 PolarHBondContact O-N 3.27Å; I129-C135 HydrophobicContact CD1-CB 3.92Å; I129-K138 WeakPolarHBondContact CG1-O 3.28Å; I129-F140 VanDerWaalsContact CD1-C 3.45Å; I129-C141 HydrophobicContact CD1-CB 3.89Å; I129-C141 VanDerWaalsContact CD1-N 3.31Å; I129-C141 HydrophobicContact CG2-CB 4.23Å |
| 130 | D | 93.7 | Very high | 92.8 | Very high | 117 Ų | 117 | 75.1 Ų | 75.1 | 63% | 0.626 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 138.1 | 179.2 | -60.7 | -51.7 | 0 | 0 | 0 | 111.1 | C132 | D130-C132 PolarHBondContact O-N 2.99Å; D130-C132 VanDerWaalsContact O-N 3.08Å |
| 131 | N | 93.3 | Very high | 93.3 | Very high | 59 Ų | 59 | 68.3 Ų | 68.3 | 32% | 0.316 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 22.6 | 179.6 | -52.7 | -50 | 0 | 0 | 0 | 115.2 | K145 F148 C155 | N131-K145 WeakPolarHBondContact O-CG 3.43Å; N131-K145 PolarHBondContact O-N 3.39Å; N131-F148 HydrophobicContact CB-CD1 3.65Å; N131-F148 HydrophobicContact CB-CD2 3.82Å; N131-F148 HydrophobicContact CB-CE1 3.73Å; N131-F148 HydrophobicContact CB-CE2 3.87Å; N131-F148 HydrophobicContact CB-CG 3.72Å; N131-F148 HydrophobicContact CB-CZ 3.83Å; N131-F148 WeakPolarHBondContact ND2-CE1 3.45Å; N131-F148 WeakPolarHBondContact ND2-CZ 3.4Å; N131-F148 WeakPolarHBondContact OD1-CZ 3.31Å; N131-C155 HydrophobicContact CB-CB 4.08Å; N131-C155 PolarHBondContact O-SG 2.91Å |
| 132 | C | 94.4 | Very high | 93.6 | Very high | 13 Ų | 13 | 68.3 Ų | 68.3 | 9% | 0.088 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 136.7 | 175 | -170.5 | 0 | 0 | 0 | 0 | 111.4 | I129 D130 S134 C141 | I129-C132 HydrophobicContact CB-CB 3.76Å; I129-C132 HydrophobicContact CG2-CB 3.97Å; I129-C132 WeakPolarHBondContact O-CB 2.99Å; I129-C132 PolarHBondContact O-N 3.27Å; D130-C132 PolarHBondContact O-N 2.99Å; D130-C132 VanDerWaalsContact O-N 3.08Å; C132-S134 PolarHBondContact SG-O 2.72Å; C132-C141 VanDerWaalsContact CA-SG 3.59Å; C132-C141 HydrophobicContact CB-CB 4Å; C132-C141 WeakPolarHBondContact CB-SG 3.38Å; C132-C141 WeakPolarHBondContact SG-CB 3.29Å; C132-C141 CovalentContact SG-SG 2.04Å; C132-C141 PolarHBondContact SG-SG 2.98Å |
| 133 | E | 92.5 | Very high | 93.5 | Very high | 92 Ų | 92 | 71.8 Ų | 71.8 | 43% | 0.43 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | -49.3 | 172.9 | -172.9 | -173.4 | 152.2 | 0 | 0 | 110.5 | K143 K145 | E133-K143 WeakPolarHBondContact CB-O 3.05Å; E133-K143 PolarHBondContact N-O 3Å; E133-K143 IonicContact OE1-NZ 3.84Å; E133-K143 PolarHBondContact OE1-NZ 2.93Å; E133-K143 WeakPolarHBondContact OE2-CD 3.34Å; E133-K143 WeakPolarHBondContact OE2-CE 3.33Å; E133-K143 IonicContact OE2-NZ 3.09Å; E133-K143 PolarHBondContact OE2-NZ 3.42Å; E133-K145 HydrophobicContact CB-CG 4.46Å |
| 134 | S | 91.9 | Very high | 93.5 | Very high | 43 Ų | 43 | 69.8 Ų | 69.8 | 30% | 0.301 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 133.4 | 175.6 | 64.1 | 0 | 0 | 0 | 0 | 110.7 | C132 C141 T142 K143 | C132-S134 PolarHBondContact SG-O 2.72Å; S134-C141 PolarHBondContact O-SG 2.86Å; S134-C141 VanDerWaalsContact O-SG 3.35Å; S134-T142 PolarHBondContact O-N 3.47Å; S134-T142 PolarHBondContact O-OG1 3.11Å; S134-T142 PolarHBondContact OG-OG1 3.06Å; S134-K143 PolarHBondContact N-O 2.65Å; S134-K143 PolarHBondContact O-N 2.9Å; S134-K143 VanDerWaalsContact O-N 3.09Å; S134-K143 WeakPolarHBondContact OG-CB 3.37Å |
| 135 | C | 94.5 | Very high | 93.4 | Very high | 10 Ų | 10 | 74.3 Ų | 74.3 | 7% | 0.068 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 150.8 | 173.3 | 51.2 | 0 | 0 | 0 | 0 | 111.9 | Y114 C127 I129 F140 | Y114-C135 WeakPolarHBondContact CB-O 3.46Å; Y114-C135 VanDerWaalsContact CD1-SG 3.59Å; C127-C135 WeakPolarHBondContact CA-SG 3.38Å; C127-C135 HydrophobicContact CB-CB 4.38Å; C127-C135 WeakPolarHBondContact CB-SG 3.39Å; C127-C135 WeakPolarHBondContact SG-CB 3.31Å; C127-C135 CovalentContact SG-SG 2.03Å; C127-C135 PolarHBondContact SG-SG 3.42Å; I129-C135 HydrophobicContact CD1-CB 3.92Å; C135-F140 CarbonylContact C-O 3.57Å; C135-F140 WeakPolarHBondContact CA-O 3.49Å; C135-F140 VanDerWaalsContact CB-O 3.24Å; C135-F140 WeakPolarHBondContact CB-O 3.05Å |
| 136 | F | 92.9 | Very high | 93.3 | Very high | 154 Ų | 154 | 79 Ų | 79 | 68% | 0.675 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -85.6 | -39.6 | 174 | 175.7 | -102.6 | 0 | 0 | 0 | 111 | Y114 F140 T142 | Y114-F136 WeakPolarHBondContact CD2-O 3.49Å; F136-F140 HydrophobicContact CB-CD1 4.07Å; F136-F140 PolarHBondContact N-O 2.82Å; F136-T142 HydrophobicContact CB-CG2 3.65Å |
| 137 | S | 93 | Very high | 93.1 | Very high | 39 Ų | 39 | 73.9 Ų | 73.9 | 27% | 0.273 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -138.4 | -177.8 | -179.4 | 79.1 | 0 | 0 | 0 | 0 | 110.9 | D139 F140 | S137-D139 PolarHBondContact O-N 3.45Å; S137-D139 PolarHBondContact OG-N 3.4Å; S137-F140 PolarHBondContact N-O 3.38Å; S137-F140 WeakPolarHBondContact OG-CB 3.45Å; S137-F140 PolarHBondContact OG-N 2.96Å |
| 138 | K | 91.4 | Very high | 93.1 | Very high | 120 Ų | 120 | 75.2 Ų | 75.2 | 52% | 0.522 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -54.9 | -36.4 | 176.8 | -171.3 | -177.5 | 172.4 | -170.1 | 0 | 112.9 | Y114 I129 | Y114-K138 WeakPolarHBondContact OH-CB 3.37Å; I129-K138 WeakPolarHBondContact CG1-O 3.28Å |
| 139 | D | 91.8 | Very high | 93 | Very high | 98 Ų | 98 | 67.4 Ų | 67.4 | 52% | 0.524 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -118.7 | 0.6 | -170.6 | -59.7 | -57.2 | 0 | 0 | 0 | 113.2 | S137 | S137-D139 PolarHBondContact O-N 3.45Å; S137-D139 PolarHBondContact OG-N 3.4Å |
| 140 | F | 94.9 | Very high | 92.9 | Very high | 98 Ų | 98 | 68 Ų | 68 | 43% | 0.43 | 36% | 0.362 | S | S | . | . | trans | -123.9 | 108.1 | -177 | -161.8 | -82.5 | 0 | 0 | 0 | 112 | I129 C135 F136 S137 T142 | I129-F140 VanDerWaalsContact CD1-C 3.45Å; C135-F140 CarbonylContact C-O 3.57Å; C135-F140 WeakPolarHBondContact CA-O 3.49Å; C135-F140 VanDerWaalsContact CB-O 3.24Å; C135-F140 WeakPolarHBondContact CB-O 3.05Å; F136-F140 HydrophobicContact CB-CD1 4.07Å; F136-F140 PolarHBondContact N-O 2.82Å; S137-F140 PolarHBondContact N-O 3.38Å; S137-F140 WeakPolarHBondContact OG-CB 3.45Å; S137-F140 PolarHBondContact OG-N 2.96Å; F140-T142 HydrophobicContact CD1-CG2 4.39Å; F140-T142 HydrophobicContact CE1-CG2 4.41Å | ||
| 141 | C | 94.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 138.4 | 172.1 | -167.3 | 0 | 0 | 0 | 0 | 110.5 | I129 C132 S134 K143 L150 G153 C155 | I129-C141 HydrophobicContact CD1-CB 3.89Å; I129-C141 VanDerWaalsContact CD1-N 3.31Å; I129-C141 HydrophobicContact CG2-CB 4.23Å; C132-C141 VanDerWaalsContact CA-SG 3.59Å; C132-C141 HydrophobicContact CB-CB 4Å; C132-C141 WeakPolarHBondContact CB-SG 3.38Å; C132-C141 WeakPolarHBondContact SG-CB 3.29Å; C132-C141 CovalentContact SG-SG 2.04Å; C132-C141 PolarHBondContact SG-SG 2.98Å; S134-C141 PolarHBondContact O-SG 2.86Å; S134-C141 VanDerWaalsContact O-SG 3.35Å; C141-K143 VanDerWaalsContact SG-C 3.55Å; C141-K143 PolarHBondContact SG-O 2.81Å; C141-L150 HydrophobicContact CB-CD1 4.1Å; C141-L150 WeakPolarHBondContact O-CD1 3.45Å; C141-G153 VanDerWaalsContact CB-O 3.25Å; C141-G153 WeakPolarHBondContact CB-O 3.4Å; C141-G153 PolarHBondContact N-O 2.81Å; C141-C155 PolarHBondContact SG-SG 3.17Å |
| 142 | T | 93.3 | Very high | 92.8 | Very high | 68 Ų | 68 | 68.3 Ų | 68.3 | 42% | 0.417 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | -28.4 | 174.3 | 52.5 | 0 | 0 | 0 | 0 | 112.2 | S134 F136 F140 | S134-T142 PolarHBondContact O-N 3.47Å; S134-T142 PolarHBondContact O-OG1 3.11Å; S134-T142 PolarHBondContact OG-OG1 3.06Å; F136-T142 HydrophobicContact CB-CG2 3.65Å; F140-T142 HydrophobicContact CD1-CG2 4.39Å; F140-T142 HydrophobicContact CE1-CG2 4.41Å |
| 143 | K | 91.9 | Very high | 92.6 | Very high | 107 Ų | 107 | 67.8 Ų | 67.8 | 47% | 0.465 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 122.1 | 179.5 | -166.7 | -175.7 | 175.2 | -156 | 0 | 110.4 | E133 S134 C141 | E133-K143 WeakPolarHBondContact CB-O 3.05Å; E133-K143 PolarHBondContact N-O 3Å; E133-K143 IonicContact OE1-NZ 3.84Å; E133-K143 PolarHBondContact OE1-NZ 2.93Å; E133-K143 WeakPolarHBondContact OE2-CD 3.34Å; E133-K143 WeakPolarHBondContact OE2-CE 3.33Å; E133-K143 IonicContact OE2-NZ 3.09Å; E133-K143 PolarHBondContact OE2-NZ 3.42Å; S134-K143 PolarHBondContact N-O 2.65Å; S134-K143 PolarHBondContact O-N 2.9Å; S134-K143 VanDerWaalsContact O-N 3.09Å; S134-K143 WeakPolarHBondContact OG-CB 3.37Å; C141-K143 VanDerWaalsContact SG-C 3.55Å; C141-K143 PolarHBondContact SG-O 2.81Å |
| 144 | C | 93.9 | Very high | 92.7 | Very high | 16 Ų | 16 | 68.7 Ų | 68.7 | 11% | 0.108 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 157.5 | 174.8 | -63.8 | 0 | 0 | 0 | 0 | 111.3 | F148 C155 | C144-F148 HydrophobicContact CB-CB 4Å; C144-C155 WeakPolarHBondContact CA-SG 3.42Å; C144-C155 HydrophobicContact CB-CB 3.78Å; C144-C155 WeakPolarHBondContact CB-SG 3.09Å; C144-C155 WeakPolarHBondContact SG-CA 3.44Å; C144-C155 WeakPolarHBondContact SG-CB 3.33Å; C144-C155 CovalentContact SG-SG 2.03Å; C144-C155 PolarHBondContact SG-SG 3.43Å |
| 145 | K | 93 | Very high | 92.9 | Very high | 105 Ų | 105 | 67.2 Ų | 67.2 | 46% | 0.457 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 158.2 | 169.4 | -67 | -179.5 | -173.9 | 177.2 | 0 | 110.2 | N131 E133 G147 F148 | N131-K145 WeakPolarHBondContact O-CG 3.43Å; N131-K145 PolarHBondContact O-N 3.39Å; E133-K145 HydrophobicContact CB-CG 4.46Å; K145-G147 PolarHBondContact O-N 1.99Å; K145-F148 HydrophobicContact CB-CD2 4.22Å; K145-F148 PolarHBondContact O-N 3.01Å |
| 146 | S | 91.2 | Very high | 92.8 | Very high | 118 Ų | 118 | 70.4 Ų | 70.4 | 83% | 0.825 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 135.6 | 176.3 | 47.9 | 0 | 0 | 0 | 0 | 111.8 | ||
| 147 | G | 89.8 | Confident | 92.8 | Very high | 55 Ų | 55 | 68.1 Ų | 68.1 | 57% | 0.567 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.7 | 6.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | K145 | K145-G147 PolarHBondContact O-N 1.99Š|
| 148 | F | 93.8 | Very high | 92.6 | Very high | 49 Ų | 49 | 73.7 Ų | 73.7 | 22% | 0.215 | 37% | 0.368 | C | S | . | . | trans | -120.4 | 142.5 | 173.5 | -66.7 | -93.8 | 0 | 0 | 0 | 111.2 | N131 C144 K145 C155 F156 D157 | N131-F148 HydrophobicContact CB-CD1 3.65Å; N131-F148 HydrophobicContact CB-CD2 3.82Å; N131-F148 HydrophobicContact CB-CE1 3.73Å; N131-F148 HydrophobicContact CB-CE2 3.87Å; N131-F148 HydrophobicContact CB-CG 3.72Å; N131-F148 HydrophobicContact CB-CZ 3.83Å; N131-F148 WeakPolarHBondContact ND2-CE1 3.45Å; N131-F148 WeakPolarHBondContact ND2-CZ 3.4Å; N131-F148 WeakPolarHBondContact OD1-CZ 3.31Å; C144-F148 HydrophobicContact CB-CB 4Å; K145-F148 HydrophobicContact CB-CD2 4.22Å; K145-F148 PolarHBondContact O-N 3.01Å; F148-C155 HydrophobicContact CB-CB 4.14Å; F148-F156 CarbonylContact C-O 3.57Å; F148-F156 WeakPolarHBondContact CA-O 3.47Å; F148-D157 HydrophobicContact CD1-CB 4.42Å; F148-D157 HydrophobicContact CE1-CB 4.21Å | ||
| 149 | Y | 92.3 | Very high | 92.4 | Very high | 40 Ų | 40 | 69.2 Ų | 69.2 | 16% | 0.157 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 133.6 | 178.6 | -57.5 | -83.7 | 0 | 0 | 0 | 111.2 | C155 F156 D157 P165 M170 C172 | Y149-C155 WeakPolarHBondContact O-CA 3.45Å; Y149-F156 PolarHBondContact N-O 2.98Å; Y149-F156 PolarHBondContact O-N 2.76Å; Y149-D157 WeakPolarHBondContact CE2-O 3.47Å; Y149-P165 HydrophobicContact CD1-CB 3.67Å; Y149-P165 HydrophobicContact CD2-CB 4.41Å; Y149-P165 HydrophobicContact CE1-CB 3.26Å; Y149-P165 HydrophobicContact CE2-CB 4.08Å; Y149-P165 HydrophobicContact CG-CB 4.23Å; Y149-P165 VanDerWaalsContact CZ-CB 3.48Å; Y149-M170 WeakPolarHBondContact CA-O 3.4Å; Y149-M170 HydrophobicContact CE1-SD 4.28Å; Y149-C172 WeakPolarHBondContact CB-SG 3.42Å |
| 150 | L | 93.6 | Very high | 92.2 | Very high | 26 Ų | 26 | 66.7 Ų | 66.7 | 14% | 0.136 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 125.4 | 176.1 | -178.6 | 69.9 | 0 | 0 | 0 | 110.6 | C141 M170 E171 C172 | C141-L150 HydrophobicContact CB-CD1 4.1Å; C141-L150 WeakPolarHBondContact O-CD1 3.45Å; L150-M170 PolarHBondContact N-O 3.03Å; L150-E171 HydrophobicContact CB-CG 4.16Å; L150-E171 HydrophobicContact CD2-CG 4.47Å; L150-C172 PolarHBondContact O-N 3.04Å |
| 151 | H | 92.5 | Very high | 91.3 | Very high | 21 Ų | 21 | 71.5 Ų | 71.5 | 10% | 0.097 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 119.3 | 173.4 | -173.4 | 70.2 | 0 | 0 | 0 | 110.7 | G153 R154 F156 F163 C172 | H151-G153 PolarHBondContact O-N 3.09Å; H151-G153 VanDerWaalsContact O-N 3.15Å; H151-R154 PolarHBondContact N-O 3.3Å; H151-R154 PolarHBondContact O-N 2.94Å; H151-F156 HydrophobicContact CB-CD2 3.85Å; H151-F156 HydrophobicContact CB-CE2 3.93Å; H151-F163 AromaticContact CE1-CD1 3.6Å; H151-F163 AromaticContact CE1-CD2 3.52Å; H151-F163 AromaticContact CE1-CE1 3.59Å; H151-F163 AromaticContact CE1-CE2 3.5Å; H151-F163 AromaticContact CE1-CG 3.58Å; H151-F163 AromaticContact CE1-CZ 3.56Å; H151-F163 AromaticContact ND1-CD1 4Å; H151-F163 AromaticContact ND1-CG 4Å; H151-F163 AromaticContact NE2-CE2 3.91Å; H151-C172 HydrophobicContact CB-CB 3.78Å |
| 152 | K | 90.5 | Very high | 90.1 | Very high | 163 Ų | 163 | 73.7 Ų | 73.7 | 71% | 0.709 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49 | 41.1 | 177.7 | -62.8 | 177.3 | -178.7 | 170.2 | 0 | 113.3 | ||
| 153 | G | 91.9 | Very high | 89.4 | Confident | 2 Ų | 2 | 73 Ų | 73 | 2% | 0.021 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | 11.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | C141 H151 | C141-G153 VanDerWaalsContact CB-O 3.25Å; C141-G153 WeakPolarHBondContact CB-O 3.4Å; C141-G153 PolarHBondContact N-O 2.81Å; H151-G153 PolarHBondContact O-N 3.09Å; H151-G153 VanDerWaalsContact O-N 3.15Å |
| 154 | R | 94.6 | Very high | 88.6 | Confident | 110 Ų | 110 | 68.1 Ų | 68.1 | 42% | 0.415 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 157 | 173.6 | -56 | -172.7 | 84.5 | 91.3 | -1.7 | 110.8 | H151 F156 | H151-R154 PolarHBondContact N-O 3.3Å; H151-R154 PolarHBondContact O-N 2.94Å; R154-F156 HydrophobicContact CB-CE2 3.72Å; R154-F156 HydrophobicContact CB-CZ 4.04Å |
| 155 | C | 94.9 | Very high | 88.1 | Confident | 13 Ų | 13 | 70.4 Ų | 70.4 | 9% | 0.088 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 131.1 | -176.3 | -58.4 | 0 | 0 | 0 | 0 | 110.8 | N131 C141 C144 F148 Y149 | N131-C155 HydrophobicContact CB-CB 4.08Å; N131-C155 PolarHBondContact O-SG 2.91Å; C141-C155 PolarHBondContact SG-SG 3.17Å; C144-C155 WeakPolarHBondContact CA-SG 3.42Å; C144-C155 HydrophobicContact CB-CB 3.78Å; C144-C155 WeakPolarHBondContact CB-SG 3.09Å; C144-C155 WeakPolarHBondContact SG-CA 3.44Å; C144-C155 WeakPolarHBondContact SG-CB 3.33Å; C144-C155 CovalentContact SG-SG 2.03Å; C144-C155 PolarHBondContact SG-SG 3.43Å; F148-C155 HydrophobicContact CB-CB 4.14Å; Y149-C155 WeakPolarHBondContact O-CA 3.45Å |
| 156 | F | 93.3 | Very high | 87.6 | Confident | 76 Ų | 76 | 69 Ų | 69 | 33% | 0.333 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 147.7 | -179.3 | -61.4 | -88.1 | 0 | 0 | 0 | 110.9 | F148 Y149 H151 R154 K158 | F148-F156 CarbonylContact C-O 3.57Å; F148-F156 WeakPolarHBondContact CA-O 3.47Å; Y149-F156 PolarHBondContact N-O 2.98Å; Y149-F156 PolarHBondContact O-N 2.76Å; H151-F156 HydrophobicContact CB-CD2 3.85Å; H151-F156 HydrophobicContact CB-CE2 3.93Å; R154-F156 HydrophobicContact CB-CE2 3.72Å; R154-F156 HydrophobicContact CB-CZ 4.04Å; F156-K158 VanDerWaalsContact C-N 3.35Å; F156-K158 WeakPolarHBondContact CB-O 3.08Å |
| 157 | D | 92.6 | Very high | 86.9 | Confident | 107 Ų | 107 | 68.9 Ų | 68.9 | 57% | 0.572 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -70.3 | -34.7 | 172.9 | 63.2 | -32.8 | 0 | 0 | 0 | 111.5 | F148 Y149 | F148-D157 HydrophobicContact CD1-CB 4.42Å; F148-D157 HydrophobicContact CE1-CB 4.21Å; Y149-D157 WeakPolarHBondContact CE2-O 3.47Å |
| 158 | K | 89 | Confident | 86.4 | Confident | 155 Ų | 155 | 74.1 Ų | 74.1 | 67% | 0.674 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -132.1 | 143.7 | 174.9 | -62.7 | -179.2 | -175.5 | 177.9 | 0 | 110.6 | F156 | F156-K158 VanDerWaalsContact C-N 3.35Å; F156-K158 WeakPolarHBondContact CB-O 3.08Å |
| 159 | C | 87 | Confident | 85.8 | Confident | 26 Ų | 26 | 75.4 Ų | 75.4 | 18% | 0.176 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 141.4 | 177.4 | -68.9 | 0 | 0 | 0 | 0 | 112.1 | F163 C172 | C159-F163 HydrophobicContact CB-CB 4.24Å; C159-C172 WeakPolarHBondContact CA-SG 3.05Å; C159-C172 HydrophobicContact CB-CB 3.86Å; C159-C172 WeakPolarHBondContact CB-SG 3.34Å; C159-C172 WeakPolarHBondContact SG-CA 3.4Å; C159-C172 WeakPolarHBondContact SG-CB 3.01Å; C159-C172 CovalentContact SG-SG 2.05Å; C159-C172 PolarHBondContact SG-SG 2.92Å |
| 160 | P | 86.6 | Confident | 85.5 | Confident | 46 Ų | 46 | 77.2 Ų | 77.2 | 30% | 0.299 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 164.2 | 177.6 | 27.7 | -33.4 | 0 | 0 | 0 | 112 | G162 F163 | P160-G162 PolarHBondContact O-N 3.37Å; P160-F163 HydrophobicContact CG-CD2 4.07Å; P160-F163 PolarHBondContact O-N 3.22Å |
| 161 | E | 77.6 | Confident | 85.3 | Confident | 199 Ų | 199 | 80.2 Ų | 80.2 | 93% | 0.93 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 132.3 | -178.4 | -67.2 | -174.5 | 177.1 | 0 | 0 | 112.6 | ||
| 162 | G | 69.9 | Low | 85 | Confident | 46 Ų | 46 | 79.9 Ų | 79.9 | 47% | 0.474 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.6 | -7.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | P160 | P160-G162 PolarHBondContact O-N 3.37Š|
| 163 | F | 76.5 | Confident | 84.4 | Confident | 53 Ų | 53 | 72.8 Ų | 72.8 | 23% | 0.232 | 38% | 0.381 | C | S | . | . | trans | -118.2 | 149.4 | 176.5 | -60.7 | -90 | 0 | 0 | 0 | 111 | H151 C159 P160 C172 G173 E174 | H151-F163 AromaticContact CE1-CD1 3.6Å; H151-F163 AromaticContact CE1-CD2 3.52Å; H151-F163 AromaticContact CE1-CE1 3.59Å; H151-F163 AromaticContact CE1-CE2 3.5Å; H151-F163 AromaticContact CE1-CG 3.58Å; H151-F163 AromaticContact CE1-CZ 3.56Å; H151-F163 AromaticContact ND1-CD1 4Å; H151-F163 AromaticContact ND1-CG 4Å; H151-F163 AromaticContact NE2-CE2 3.91Å; C159-F163 HydrophobicContact CB-CB 4.24Å; P160-F163 HydrophobicContact CG-CD2 4.07Å; P160-F163 PolarHBondContact O-N 3.22Å; F163-C172 HydrophobicContact CB-CB 4.03Å; F163-G173 CarbonylContact C-O 3.57Å; F163-G173 WeakPolarHBondContact CA-O 3.04Å; F163-E174 HydrophobicContact CD1-CG 3.91Å; F163-E174 HydrophobicContact CE1-CG 3.51Å; F163-E174 HydrophobicContact CZ-CG 4.4Å | ||
| 164 | A | 76.9 | Confident | 83.3 | Confident | 5 Ų | 5 | 79.4 Ų | 79.4 | 4% | 0.041 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 146.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | L166 C172 G173 I216 | A164-L166 PolarHBondContact O-N 3.4Å; A164-C172 WeakPolarHBondContact O-CA 3.42Å; A164-G173 PolarHBondContact N-O 3.37Å; A164-G173 PolarHBondContact O-N 3.24Å; A164-I216 HydrophobicContact CB-CD1 3.85Å; A164-I216 HydrophobicContact CB-CG1 4.02Å; A164-I216 HydrophobicContact CB-CG2 3.78Å |
| 165 | P | 83.1 | Confident | 81.7 | Confident | 63 Ų | 63 | 74.9 Ų | 74.9 | 41% | 0.409 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 126.2 | 173.5 | 27.4 | -32.5 | 0 | 0 | 0 | 110.2 | Y149 | Y149-P165 HydrophobicContact CD1-CB 3.67Å; Y149-P165 HydrophobicContact CD2-CB 4.41Å; Y149-P165 HydrophobicContact CE1-CB 3.26Å; Y149-P165 HydrophobicContact CE2-CB 4.08Å; Y149-P165 HydrophobicContact CG-CB 4.23Å; Y149-P165 VanDerWaalsContact CZ-CB 3.48Å |
| 166 | L | 81.6 | Confident | 80.4 | Confident | 77 Ų | 77 | 74.7 Ų | 74.7 | 40% | 0.403 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 108.1 | 168.3 | -65.3 | 171.8 | 0 | 0 | 0 | 108 | A164 D168 T169 M170 E171 | A164-L166 PolarHBondContact O-N 3.4Å; L166-D168 VanDerWaalsContact C-N 3.3Å; L166-D168 PolarHBondContact O-N 3.04Å; L166-T169 WeakPolarHBondContact CB-OG1 3.45Å; L166-T169 PolarHBondContact O-N 2.05Å; L166-M170 WeakPolarHBondContact O-CA 3.46Å; L166-M170 PolarHBondContact O-N 2.97Å; L166-E171 WeakPolarHBondContact CB-O 3.17Å; L166-E171 PolarHBondContact N-O 3.37Å; L166-E171 PolarHBondContact O-N 3.03Å |
| 167 | E | 77.9 | Confident | 79.2 | Confident | 115 Ų | 115 | 75.2 Ų | 75.2 | 54% | 0.537 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -36 | -176.7 | -164.3 | 65.5 | -150.1 | 0 | 0 | 112 | T169 M170 | E167-T169 VanDerWaalsContact C-N 3.31Å; E167-T169 PolarHBondContact O-N 3.23Å; E167-M170 WeakPolarHBondContact OE1-CE 2.99Å |
| 168 | D | 78 | Confident | 78.5 | Confident | 164 Ų | 164 | 72 Ų | 72 | 88% | 0.877 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -30.9 | -175.4 | -58.2 | -33 | 0 | 0 | 0 | 112.7 | L166 | L166-D168 VanDerWaalsContact C-N 3.3Å; L166-D168 PolarHBondContact O-N 3.04Å |
| 169 | T | 81.5 | Confident | 78.2 | Confident | 77 Ų | 77 | 65.3 Ų | 65.3 | 47% | 0.472 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | -6.9 | -176.8 | 52 | 0 | 0 | 0 | 0 | 114 | L166 E167 E171 | L166-T169 WeakPolarHBondContact CB-OG1 3.45Å; L166-T169 PolarHBondContact O-N 2.05Å; E167-T169 VanDerWaalsContact C-N 3.31Å; E167-T169 PolarHBondContact O-N 3.23Å; T169-E171 PolarHBondContact O-N 3.05Å |
| 170 | M | 86.1 | Confident | 78.2 | Confident | 77 Ų | 77 | 72.7 Ų | 72.7 | 38% | 0.379 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 39.4 | -173.1 | -64.8 | -77.6 | 171.5 | 0 | 0 | 112.3 | Y149 L150 L166 E167 | Y149-M170 WeakPolarHBondContact CA-O 3.4Å; Y149-M170 HydrophobicContact CE1-SD 4.28Å; L150-M170 PolarHBondContact N-O 3.03Å; L166-M170 WeakPolarHBondContact O-CA 3.46Å; L166-M170 PolarHBondContact O-N 2.97Å; E167-M170 WeakPolarHBondContact OE1-CE 2.99Å |
| 171 | E | 88.4 | Confident | 78.3 | Confident | 90 Ų | 90 | 74 Ų | 74 | 42% | 0.421 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 153.7 | -178.1 | -72.4 | 178.6 | 174.2 | 0 | 0 | 111.3 | L150 L166 T169 G173 | L150-E171 HydrophobicContact CB-CG 4.16Å; L150-E171 HydrophobicContact CD2-CG 4.47Å; L166-E171 WeakPolarHBondContact CB-O 3.17Å; L166-E171 PolarHBondContact N-O 3.37Å; L166-E171 PolarHBondContact O-N 3.03Å; T169-E171 PolarHBondContact O-N 3.05Å; E171-G173 PolarHBondContact O-N 3.04Å |
| 172 | C | 86.4 | Confident | 78.8 | Confident | 13 Ų | 13 | 66.9 Ų | 66.9 | 9% | 0.088 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 99.2 | 171.3 | -67.1 | 0 | 0 | 0 | 0 | 110.2 | Y149 L150 H151 C159 F163 A164 | Y149-C172 WeakPolarHBondContact CB-SG 3.42Å; L150-C172 PolarHBondContact O-N 3.04Å; H151-C172 HydrophobicContact CB-CB 3.78Å; C159-C172 WeakPolarHBondContact CA-SG 3.05Å; C159-C172 HydrophobicContact CB-CB 3.86Å; C159-C172 WeakPolarHBondContact CB-SG 3.34Å; C159-C172 WeakPolarHBondContact SG-CA 3.4Å; C159-C172 WeakPolarHBondContact SG-CB 3.01Å; C159-C172 CovalentContact SG-SG 2.05Å; C159-C172 PolarHBondContact SG-SG 2.92Å; F163-C172 HydrophobicContact CB-CB 4.03Å; A164-C172 WeakPolarHBondContact O-CA 3.42Å |
| 173 | G | 78.6 | Confident | 79.9 | Confident | 15 Ų | 15 | 72.7 Ų | 72.7 | 16% | 0.155 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 160.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | F163 A164 E171 G175 | F163-G173 CarbonylContact C-O 3.57Å; F163-G173 WeakPolarHBondContact CA-O 3.04Å; A164-G173 PolarHBondContact N-O 3.37Å; A164-G173 PolarHBondContact O-N 3.24Å; E171-G173 PolarHBondContact O-N 3.04Å; G173-G175 PolarHBondContact O-N 3.19Å; G173-G175 VanDerWaalsContact O-N 3.11Å |
| 174 | E | 69.3 | Low | 80.5 | Confident | 141 Ų | 141 | 72.9 Ų | 72.9 | 66% | 0.659 | 38% | 0.377 | S | S | * | . | trans | -72.7 | 102.6 | 169.6 | -65.5 | -174.6 | -173.2 | 0 | 0 | 108.6 | F163 C176 | F163-E174 HydrophobicContact CD1-CG 3.91Å; F163-E174 HydrophobicContact CE1-CG 3.51Å; F163-E174 HydrophobicContact CZ-CG 4.4Å; E174-C176 PolarHBondContact O-N 3.26Å | ||
| 175 | G | 60.2 | Low | 81.1 | Confident | 15 Ų | 15 | 74.2 Ų | 74.2 | 16% | 0.155 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -72.2 | -12.5 | -177 | 0 | 0 | 0 | 0 | 0 | 114.5 | G173 P211 | G173-G175 PolarHBondContact O-N 3.19Å; G173-G175 VanDerWaalsContact O-N 3.11Å; G175-P211 WeakPolarHBondContact O-CA 3.49Å; G175-P211 VanDerWaalsContact O-CB 3.3Å; G175-P211 WeakPolarHBondContact O-CB 3.34Å |
| 176 | C | 67.4 | Low | 81.4 | Confident | 9 Ų | 9 | 74.6 Ų | 74.6 | 6% | 0.061 | 40% | 0.4 | C | S | . | . | trans | -142.5 | 115 | 177.6 | -62 | 0 | 0 | 0 | 0 | 110.8 | E174 V178 P211 C218 | E174-C176 PolarHBondContact O-N 3.26Å; C176-V178 PolarHBondContact O-N 3.16Å; C176-P211 VanDerWaalsContact SG-CD 3.53Å; C176-C218 HydrophobicContact CB-CB 3.63Å; C176-C218 WeakPolarHBondContact CB-SG 3.4Å; C176-C218 WeakPolarHBondContact SG-CA 3.42Å; C176-C218 WeakPolarHBondContact SG-CB 3.25Å; C176-C218 CovalentContact SG-SG 2.04Å; C176-C218 PolarHBondContact SG-SG 3.42Å | ||
| 177 | E | 68.4 | Low | 81.9 | Confident | 86 Ų | 86 | 72.3 Ų | 72.3 | 40% | 0.402 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 122.2 | 165.9 | -68.1 | 177.8 | -165.9 | 0 | 0 | 108.4 | V208 K209 | E177-V208 HydrophobicContact CB-CB 4.45Å; E177-V208 PolarHBondContact O-N 2.9Å; E177-K209 HydrophobicContact CB-CB 4.07Å; E177-K209 HydrophobicContact CB-CG 4.37Å; E177-K209 HydrophobicContact CG-CB 4.45Å; E177-K209 HydrophobicContact CG-CD 4.47Å; E177-K209 PolarHBondContact N-O 2.87Å; E177-K209 PolarHBondContact O-N 2.95Å; E177-K209 VanDerWaalsContact O-N 3.15Å; E177-K209 IonicContact OE1-NZ 2.8Å; E177-K209 PolarHBondContact OE1-NZ 3.35Å; E177-K209 WeakPolarHBondContact OE2-CD 3.49Å; E177-K209 WeakPolarHBondContact OE2-CE 3.4Å; E177-K209 WeakPolarHBondContact OE2-CG 3.26Å; E177-K209 IonicContact OE2-NZ 2.87Å; E177-K209 PolarHBondContact OE2-NZ 2.76Å |
| 178 | V | 78.8 | Confident | 82.4 | Confident | 41 Ų | 41 | 69 Ų | 69 | 25% | 0.248 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 143.5 | 177.4 | -71.6 | 0 | 0 | 0 | 0 | 110.3 | C176 R205 I207 P219 | C176-V178 PolarHBondContact O-N 3.16Å; V178-R205 VanDerWaalsContact CG2-NH1 3.28Å; V178-I207 HydrophobicContact CG1-CG1 4.24Å; V178-P219 HydrophobicContact CG1-CG 3.92Å; V178-P219 HydrophobicContact CG2-CG 4.42Å |
| 179 | G | 81.7 | Confident | 82.8 | Confident | 14 Ų | 14 | 62.5 Ų | 62.5 | 14% | 0.144 | 34% | 0.341 | C | S | . | . | trans | -74.2 | 178.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | H206 | G179-H206 PolarHBondContact N-O 3.38Š| ||
| 180 | Q | 88 | Confident | 82.8 | Confident | 181 Ų | 181 | 64.4 Ų | 64.4 | 85% | 0.846 | 34% | 0.34 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 148.4 | 172.7 | -70.7 | -178.9 | -5.4 | 0 | 0 | 111.1 | R205 | Q180-R205 WeakPolarHBondContact O-CB 3.02Š|
| 181 | W | 87.8 | Confident | 82.7 | Confident | 72 Ų | 72 | 68.2 Ų | 68.2 | 27% | 0.273 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 141 | 171.9 | -74.5 | 108.5 | 0 | 0 | 0 | 110.9 | R203 R205 I221 E223 | W181-R203 HydrophobicContact CD2-CG 4.26Å; W181-R203 HydrophobicContact CE3-CB 4.42Å; W181-R203 HydrophobicContact CE3-CG 3.68Å; W181-R203 HydrophobicContact CZ3-CG 4.13Å; W181-R205 HydrophobicContact CD2-CB 4.11Å; W181-R205 HydrophobicContact CD2-CG 4.1Å; W181-R205 HydrophobicContact CE3-CB 3.8Å; W181-R205 HydrophobicContact CE3-CG 3.81Å; W181-R205 HydrophobicContact CH2-CG 3.9Å; W181-R205 HydrophobicContact CZ2-CG 4.18Å; W181-R205 VanDerWaalsContact CZ2-NE 3.29Å; W181-R205 HydrophobicContact CZ3-CB 4.16Å; W181-R205 HydrophobicContact CZ3-CG 3.71Å; W181-I221 WeakPolarHBondContact CZ3-O 3.28Å; W181-E223 HydrophobicContact CH2-CB 3.85Å; W181-E223 HydrophobicContact CZ2-CB 4.37Å; W181-E223 HydrophobicContact CZ3-CB 4.08Å |
| 182 | S | 88.6 | Confident | 82.5 | Confident | 50 Ų | 50 | 69 Ų | 69 | 35% | 0.35 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 162.2 | 164.8 | 75.2 | 0 | 0 | 0 | 0 | 110.8 | T204 | S182-T204 VanDerWaalsContact CB-O 3.26Å; S182-T204 WeakPolarHBondContact CB-O 3.42Å; S182-T204 PolarHBondContact N-O 3.08Å; S182-T204 PolarHBondContact OG-N 2.96Å; S182-T204 VanDerWaalsContact OG-N 3.08Å; S182-T204 PolarHBondContact OG-O 2.04Å |
| 183 | E | 92.5 | Very high | 82.4 | Confident | 168 Ų | 168 | 72.5 Ų | 72.5 | 79% | 0.785 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -55.3 | 153.5 | 161.2 | -68.7 | -56.1 | 132.6 | 0 | 0 | 111 | G185 | E183-G185 PolarHBondContact O-N 3.37Š|
| 184 | W | 89.9 | Confident | 82.7 | Confident | 57 Ų | 57 | 73 Ų | 73 | 22% | 0.216 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 128.5 | 177.4 | -71 | 96.7 | 0 | 0 | 0 | 110.5 | E201 R203 E223 R225 | W184-E201 HydrophobicContact CB-CG 4.48Å; W184-E201 WeakPolarHBondContact CB-OE2 3.24Å; W184-E201 HydrophobicContact CD2-CG 4.18Å; W184-E201 HydrophobicContact CE3-CB 4.25Å; W184-E201 HydrophobicContact CE3-CG 3.67Å; W184-E201 HydrophobicContact CZ3-CG 4.27Å; W184-R203 HydrophobicContact CD2-CB 4.16Å; W184-R203 HydrophobicContact CD2-CG 4.15Å; W184-R203 HydrophobicContact CE3-CB 3.85Å; W184-R203 HydrophobicContact CE3-CG 3.81Å; W184-R203 HydrophobicContact CH2-CG 3.77Å; W184-R203 VanDerWaalsContact CZ2-CD 3.46Å; W184-R203 HydrophobicContact CZ2-CG 4.08Å; W184-R203 VanDerWaalsContact CZ2-NE 3.31Å; W184-R203 HydrophobicContact CZ3-CB 4.14Å; W184-R203 HydrophobicContact CZ3-CG 3.62Å; W184-E223 HydrophobicContact CH2-CB 4.43Å; W184-E223 HydrophobicContact CH2-CG 4.03Å; W184-R225 HydrophobicContact CD2-CG 4.45Å; W184-R225 VanDerWaalsContact CE2-CZ 3.43Å; W184-R225 HydrophobicContact CE3-CG 4.07Å; W184-R225 HydrophobicContact CH2-CB 4.07Å; W184-R225 HydrophobicContact CH2-CG 3.68Å; W184-R225 HydrophobicContact CZ2-CG 4.1Å; W184-R225 HydrophobicContact CZ3-CB 4.25Å; W184-R225 HydrophobicContact CZ3-CG 3.67Å |
| 185 | G | 88.9 | Confident | 83.3 | Confident | 34 Ų | 34 | 68.5 Ų | 68.5 | 35% | 0.351 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 169.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | E183 C187 E201 T202 | E183-G185 PolarHBondContact O-N 3.37Å; G185-C187 PolarHBondContact O-N 2.89Å; G185-E201 VanDerWaalsContact O-CB 3.31Å; G185-E201 WeakPolarHBondContact O-CB 3.21Å; G185-T202 PolarHBondContact N-O 2.82Å |
| 186 | A | 89.6 | Confident | 84.5 | Confident | 70 Ų | 70 | 70 Ų | 70 | 58% | 0.579 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 137.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | T188 | A186-T188 HydrophobicContact CB-CG2 4.24Å; A186-T188 VanDerWaalsContact O-CG2 3.28Å; A186-T188 WeakPolarHBondContact O-CG2 2.9Å; A186-T188 PolarHBondContact O-N 3.02Å |
| 187 | C | 91 | Very high | 85.3 | Confident | 29 Ų | 29 | 75.3 Ų | 75.3 | 20% | 0.196 | 40% | 0.4 | C | S | . | . | trans | -64.4 | 106.1 | 174.8 | -174.6 | 0 | 0 | 0 | 0 | 110.9 | G185 C227 M229 | G185-C187 PolarHBondContact O-N 2.89Å; C187-C227 WeakPolarHBondContact CA-SG 3.37Å; C187-C227 HydrophobicContact CB-CB 3.74Å; C187-C227 WeakPolarHBondContact CB-SG 3.43Å; C187-C227 VanDerWaalsContact SG-C 3.58Å; C187-C227 WeakPolarHBondContact SG-CB 3.21Å; C187-C227 CovalentContact SG-SG 1.99Å; C187-C227 PolarHBondContact SG-SG 2.89Å; C187-M229 HydrophobicContact CB-CG 4.32Å; C187-M229 WeakPolarHBondContact SG-CG 3.25Å | ||
| 188 | T | 89.3 | Confident | 86.2 | Confident | 45 Ų | 45 | 74.7 Ų | 74.7 | 28% | 0.276 | 39% | 0.394 | S | S | . | . | B | Isolated β-bridge | trans | -126.2 | 159.9 | -175.8 | 73.9 | 0 | 0 | 0 | 0 | 113.1 | A186 K192 T193 G199 L200 | A186-T188 HydrophobicContact CB-CG2 4.24Å; A186-T188 VanDerWaalsContact O-CG2 3.28Å; A186-T188 WeakPolarHBondContact O-CG2 2.9Å; A186-T188 PolarHBondContact O-N 3.02Å; T188-K192 CarbonylContact C-O 3.52Å; T188-K192 WeakPolarHBondContact CA-O 3.38Å; T188-T193 HydrophobicContact CG2-CG2 3.8Å; T188-G199 CarbonylContact O-C 3.57Å; T188-G199 VanDerWaalsContact O-CA 3.3Å; T188-G199 WeakPolarHBondContact O-CA 3.31Å; T188-L200 PolarHBondContact N-O 3.11Å; T188-L200 PolarHBondContact O-N 2.65Å |
| 189 | R | 85.5 | Confident | 86.7 | Confident | 29 Ų | 29 | 72.7 Ų | 72.7 | 11% | 0.109 | 38% | 0.382 | C | S | . | . | B | Isolated β-bridge | trans | -142 | 117.1 | 170.5 | -175.6 | 162.2 | 179.7 | 179.1 | 9.3 | 110.7 | N191 K192 Y196 W198 M229 N251 | R189-N191 VanDerWaalsContact C-N 3.29Å; R189-N191 PolarHBondContact O-N 2.88Å; R189-K192 PolarHBondContact N-O 3.22Å; R189-K192 PolarHBondContact O-N 3.06Å; R189-Y196 HydrophobicContact CB-CD2 3.82Å; R189-Y196 HydrophobicContact CB-CE2 4.28Å; R189-Y196 HydrophobicContact CB-CG 4.1Å; R189-Y196 HydrophobicContact CG-CD1 4.3Å; R189-Y196 HydrophobicContact CG-CD2 4.1Å; R189-Y196 HydrophobicContact CG-CE1 4.49Å; R189-Y196 HydrophobicContact CG-CE2 4.3Å; R189-Y196 HydrophobicContact CG-CG 4.1Å; R189-W198 WeakPolarHBondContact CD-O 3.18Å; R189-W198 PolarHBondContact NH1-O 3.47Å; R189-M229 HydrophobicContact CB-SD 4.24Å; R189-N251 PolarHBondContact NH2-ND2 3.3Å; R189-N251 PolarHBondContact NH2-OD1 3.21Å |
| 190 | R | 82.1 | Confident | 87.1 | Confident | 117 Ų | 117 | 73.1 Ų | 73.1 | 44% | 0.442 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 48 | -172.4 | -53.6 | -177.7 | -174.1 | -165.3 | 4.1 | 110.9 | K192 | R190-K192 PolarHBondContact O-N 2.84Š|
| 191 | N | 83.6 | Confident | 87.3 | Confident | 157 Ų | 157 | 65.9 Ų | 65.9 | 84% | 0.84 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 26.1 | -177.6 | -58.9 | -10.4 | 0 | 0 | 0 | 114.9 | R189 | R189-N191 VanDerWaalsContact C-N 3.29Å; R189-N191 PolarHBondContact O-N 2.88Å |
| 192 | K | 84.1 | Confident | 87.4 | Confident | 106 Ų | 106 | 64.7 Ų | 64.7 | 46% | 0.461 | 35% | 0.348 | S | S | . | . | B | Isolated β-bridge | trans | -124.2 | 140.6 | 176.6 | -62.2 | -175.2 | -177 | -166.7 | 0 | 110.8 | T188 R189 R190 Y196 M229 | T188-K192 CarbonylContact C-O 3.52Å; T188-K192 WeakPolarHBondContact CA-O 3.38Å; R189-K192 PolarHBondContact N-O 3.22Å; R189-K192 PolarHBondContact O-N 3.06Å; R190-K192 PolarHBondContact O-N 2.84Å; K192-Y196 HydrophobicContact CB-CE2 4.41Å; K192-M229 VanDerWaalsContact O-CE 3.29Å; K192-M229 WeakPolarHBondContact O-CE 2.95Å |
| 193 | T | 85.9 | Confident | 87.4 | Confident | 87 Ų | 87 | 65 Ų | 65 | 53% | 0.534 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -97.8 | 2.5 | 175.4 | 52.2 | 0 | 0 | 0 | 0 | 113 | T188 M229 | T188-T193 HydrophobicContact CG2-CG2 3.8Å; T193-M229 VanDerWaalsContact CA-CE 3.43Å; T193-M229 WeakPolarHBondContact O-CE 3.11Å |
| 194 | C | 83.6 | Confident | 87.1 | Confident | 25 Ų | 25 | 60.2 Ų | 60.2 | 17% | 0.169 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -130.3 | 163.4 | -175 | 56.7 | 0 | 0 | 0 | 0 | 111.3 | Y196 R232 C234 | C194-Y196 VanDerWaalsContact C-N 3.28Å; C194-Y196 VanDerWaalsContact O-CD2 3.25Å; C194-Y196 WeakPolarHBondContact O-CD2 3.41Å; C194-Y196 PolarHBondContact O-N 2.82Å; C194-R232 HydrophobicContact CB-CB 4.39Å; C194-R232 WeakPolarHBondContact CB-O 3.43Å; C194-C234 HydrophobicContact CB-CB 4.1Å; C194-C234 WeakPolarHBondContact CB-SG 3.25Å; C194-C234 PolarHBondContact O-SG 3.13Å; C194-C234 VanDerWaalsContact O-SG 3.33Å; C194-C234 WeakPolarHBondContact SG-CA 3.39Å; C194-C234 WeakPolarHBondContact SG-CB 3.31Å; C194-C234 CovalentContact SG-SG 2.04Å; C194-C234 PolarHBondContact SG-SG 2.94Å |
| 195 | G | 82.4 | Confident | 86.8 | Confident | 46 Ų | 46 | 60.2 Ų | 60.2 | 47% | 0.474 | 32% | 0.324 | S | S | . | . | S | Bend | trans | 78.8 | -1.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | R232 | G195-R232 PolarHBondContact N-O 2.03Š|
| 196 | Y | 84.3 | Confident | 86.4 | Confident | 48 Ų | 48 | 64.3 Ų | 64.3 | 19% | 0.188 | 33% | 0.333 | C | S | . | . | trans | -131.3 | 148.7 | 179.1 | -56.3 | -81 | 0 | 0 | 0 | 110.9 | R189 K192 C194 M229 | R189-Y196 HydrophobicContact CB-CD2 3.82Å; R189-Y196 HydrophobicContact CB-CE2 4.28Å; R189-Y196 HydrophobicContact CB-CG 4.1Å; R189-Y196 HydrophobicContact CG-CD1 4.3Å; R189-Y196 HydrophobicContact CG-CD2 4.1Å; R189-Y196 HydrophobicContact CG-CE1 4.49Å; R189-Y196 HydrophobicContact CG-CE2 4.3Å; R189-Y196 HydrophobicContact CG-CG 4.1Å; K192-Y196 HydrophobicContact CB-CE2 4.41Å; C194-Y196 VanDerWaalsContact C-N 3.28Å; C194-Y196 VanDerWaalsContact O-CD2 3.25Å; C194-Y196 WeakPolarHBondContact O-CD2 3.41Å; C194-Y196 PolarHBondContact O-N 2.82Å; Y196-M229 VanDerWaalsContact O-CB 3.29Å; Y196-M229 WeakPolarHBondContact O-CB 3.43Å | ||
| 197 | K | 85.4 | Confident | 85.9 | Confident | 119 Ų | 119 | 63.7 Ų | 63.7 | 52% | 0.517 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -83.3 | -24.6 | 176.5 | -173.4 | 172.3 | -179.1 | 172.5 | 0 | 113.4 | M229 M231 | K197-M229 PolarHBondContact O-N 2.85Å; K197-M231 HydrophobicContact CB-SD 3.75Å; K197-M231 HydrophobicContact CG-SD 4.39Å |
| 198 | W | 86.7 | Confident | 85.2 | Confident | 73 Ų | 73 | 66.3 Ų | 66.3 | 28% | 0.277 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 137.9 | -175.3 | -61.9 | 101.4 | 0 | 0 | 0 | 109.4 | R189 M226 C227 K228 M229 L255 | R189-W198 WeakPolarHBondContact CD-O 3.18Å; R189-W198 PolarHBondContact NH1-O 3.47Å; W198-M226 HydrophobicContact CD2-CE 4.47Å; W198-M226 HydrophobicContact CD2-SD 4.46Å; W198-M226 HydrophobicContact CE3-CE 3.9Å; W198-M226 HydrophobicContact CE3-CG 4.08Å; W198-M226 HydrophobicContact CE3-SD 4.17Å; W198-M226 HydrophobicContact CZ3-CE 3.96Å; W198-C227 WeakPolarHBondContact CA-O 3.43Å; W198-K228 HydrophobicContact CE3-CB 4.09Å; W198-K228 HydrophobicContact CE3-CG 4.49Å; W198-K228 HydrophobicContact CH2-CB 4.3Å; W198-K228 HydrophobicContact CH2-CD 4.47Å; W198-K228 HydrophobicContact CH2-CG 4.35Å; W198-K228 HydrophobicContact CZ3-CB 3.76Å; W198-K228 HydrophobicContact CZ3-CG 4.23Å; W198-M229 VanDerWaalsContact C-SD 3.52Å; W198-L255 HydrophobicContact CB-CD2 4.4Å |
| 199 | G | 89.9 | Confident | 84.1 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | -171.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | T188 C227 L255 | T188-G199 CarbonylContact O-C 3.57Å; T188-G199 VanDerWaalsContact O-CA 3.3Å; T188-G199 WeakPolarHBondContact O-CA 3.31Å; G199-C227 PolarHBondContact N-O 3.49Å; G199-C227 PolarHBondContact O-N 2.87Å; G199-C227 PolarHBondContact O-SG 3.49Å; G199-C227 VanDerWaalsContact O-SG 3.39Å; G199-L255 VanDerWaalsContact O-CD2 3.28Å; G199-L255 WeakPolarHBondContact O-CD2 3.49Å |
| 200 | L | 90.8 | Very high | 83 | Confident | 23 Ų | 23 | 76.6 Ų | 76.6 | 12% | 0.12 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 138.3 | 170.3 | -68.3 | 168.8 | 0 | 0 | 0 | 108.5 | T188 R225 L255 R258 A259 | T188-L200 PolarHBondContact N-O 3.11Å; T188-L200 PolarHBondContact O-N 2.65Å; L200-R225 WeakPolarHBondContact CA-O 3.43Å; L200-L255 HydrophobicContact CD1-CG 4.39Å; L200-L255 HydrophobicContact CD2-CD2 4.23Å; L200-L255 HydrophobicContact CD2-CG 4.45Å; L200-L255 HydrophobicContact CG-CD2 3.98Å; L200-L255 HydrophobicContact CG-CG 4.15Å; L200-R258 HydrophobicContact CD1-CB 4.1Å; L200-A259 HydrophobicContact CD2-CB 3.81Å |
| 201 | E | 90.6 | Very high | 82 | Confident | 28 Ų | 28 | 71.9 Ų | 71.9 | 13% | 0.131 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 142 | 165.2 | 59.4 | -168.6 | 143.1 | 0 | 0 | 107.3 | W184 G185 S224 R225 C227 | W184-E201 HydrophobicContact CB-CG 4.48Å; W184-E201 WeakPolarHBondContact CB-OE2 3.24Å; W184-E201 HydrophobicContact CD2-CG 4.18Å; W184-E201 HydrophobicContact CE3-CB 4.25Å; W184-E201 HydrophobicContact CE3-CG 3.67Å; W184-E201 HydrophobicContact CZ3-CG 4.27Å; G185-E201 VanDerWaalsContact O-CB 3.31Å; G185-E201 WeakPolarHBondContact O-CB 3.21Å; E201-S224 CarbonylContact O-C 3.51Å; E201-S224 WeakPolarHBondContact O-CA 3.43Å; E201-S224 WeakPolarHBondContact O-CB 3.37Å; E201-R225 VanDerWaalsContact CD-NH2 3.35Å; E201-R225 HydrophobicContact CG-CG 3.49Å; E201-R225 VanDerWaalsContact CG-CG 3.49Å; E201-R225 PolarHBondContact N-O 3.3Å; E201-R225 PolarHBondContact O-N 3.08Å; E201-R225 WeakPolarHBondContact OE1-CG 3.27Å; E201-R225 IonicContact OE1-CZ 2.65Å; E201-R225 VanDerWaalsContact OE1-CZ 3.3Å; E201-R225 IonicContact OE1-NE 2.81Å; E201-R225 PolarHBondContact OE1-NE 2.94Å; E201-R225 IonicContact OE1-NH2 3.13Å; E201-R225 PolarHBondContact OE1-NH2 2.04Å; E201-R225 VanDerWaalsContact OE1-NH2 3.11Å; E201-R225 IonicContact OE2-CZ 3.86Å; E201-R225 IonicContact OE2-NE 3.67Å; E201-R225 IonicContact OE2-NH2 3.97Å; E201-R225 PolarHBondContact OE2-NH2 2.92Å; E201-R225 VanDerWaalsContact OE2-NH2 3.09Å; E201-C227 HydrophobicContact CB-CB 4.41Å; E201-C227 HydrophobicContact CG-CB 4Å; E201-C227 PolarHBondContact N-SG 2.82Å; E201-C227 VanDerWaalsContact N-SG 3.42Å; E201-C227 VanDerWaalsContact OE1-CB 3.31Å; E201-C227 WeakPolarHBondContact OE1-CB 3.06Å |
| 202 | T | 89.9 | Confident | 80.8 | Confident | 48 Ų | 48 | 71 Ų | 71 | 29% | 0.294 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 139.3 | -176.1 | -57.2 | 0 | 0 | 0 | 0 | 108.1 | G185 E223 | G185-T202 PolarHBondContact N-O 2.82Å; T202-E223 CarbonylContact C-O 3.58Å; T202-E223 VanDerWaalsContact CA-O 3.25Å; T202-E223 WeakPolarHBondContact CA-O 3.4Å; T202-E223 WeakPolarHBondContact CG2-O 3.04Å |
| 203 | R | 88.7 | Confident | 79.4 | Confident | 56 Ų | 56 | 72.9 Ų | 72.9 | 21% | 0.211 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 154.5 | 170.8 | 65.8 | 177.7 | -176.8 | 175.7 | -2.4 | 109.8 | W181 W184 A222 E223 | W181-R203 HydrophobicContact CD2-CG 4.26Å; W181-R203 HydrophobicContact CE3-CB 4.42Å; W181-R203 HydrophobicContact CE3-CG 3.68Å; W181-R203 HydrophobicContact CZ3-CG 4.13Å; W184-R203 HydrophobicContact CD2-CB 4.16Å; W184-R203 HydrophobicContact CD2-CG 4.15Å; W184-R203 HydrophobicContact CE3-CB 3.85Å; W184-R203 HydrophobicContact CE3-CG 3.81Å; W184-R203 HydrophobicContact CH2-CG 3.77Å; W184-R203 VanDerWaalsContact CZ2-CD 3.46Å; W184-R203 HydrophobicContact CZ2-CG 4.08Å; W184-R203 VanDerWaalsContact CZ2-NE 3.31Å; W184-R203 HydrophobicContact CZ3-CB 4.14Å; W184-R203 HydrophobicContact CZ3-CG 3.62Å; R203-A222 WeakPolarHBondContact O-CA 3.4Å; R203-E223 HydrophobicContact CG-CB 4.06Å; R203-E223 IonicContact CZ-OE2 2.84Å; R203-E223 PolarHBondContact N-O 3.09Å; R203-E223 IonicContact NE-OE2 2.88Å; R203-E223 PolarHBondContact NE-OE2 3.17Å; R203-E223 IonicContact NH2-OE1 2.94Å; R203-E223 IonicContact NH2-OE2 2.65Å; R203-E223 PolarHBondContact NH2-OE2 3.4Å; R203-E223 PolarHBondContact O-N 3.15Å |
| 204 | T | 86.8 | Confident | 78 | Confident | 68 Ų | 68 | 77 Ų | 77 | 42% | 0.417 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 153.1 | -179 | 52.8 | 0 | 0 | 0 | 0 | 110.9 | S182 I221 A222 | S182-T204 VanDerWaalsContact CB-O 3.26Å; S182-T204 WeakPolarHBondContact CB-O 3.42Å; S182-T204 PolarHBondContact N-O 3.08Å; S182-T204 PolarHBondContact OG-N 2.96Å; S182-T204 VanDerWaalsContact OG-N 3.08Å; S182-T204 PolarHBondContact OG-O 2.04Å; T204-I221 CarbonylContact C-O 3.48Å; T204-I221 VanDerWaalsContact CA-O 3.22Å; T204-I221 WeakPolarHBondContact CA-O 3.21Å; T204-A222 HydrophobicContact CG2-CB 4.03Å |
| 205 | R | 83.9 | Confident | 76.6 | Confident | 56 Ų | 56 | 81.5 Ų | 81.5 | 21% | 0.211 | 42% | 0.417 | C | S | . | . | trans | -129.3 | 161.6 | 169.3 | 61.4 | -177.2 | 175.1 | 177.1 | 1 | 109.2 | V178 Q180 W181 T220 I221 | V178-R205 VanDerWaalsContact CG2-NH1 3.28Å; Q180-R205 WeakPolarHBondContact O-CB 3.02Å; W181-R205 HydrophobicContact CD2-CB 4.11Å; W181-R205 HydrophobicContact CD2-CG 4.1Å; W181-R205 HydrophobicContact CE3-CB 3.8Å; W181-R205 HydrophobicContact CE3-CG 3.81Å; W181-R205 HydrophobicContact CH2-CG 3.9Å; W181-R205 HydrophobicContact CZ2-CG 4.18Å; W181-R205 VanDerWaalsContact CZ2-NE 3.29Å; W181-R205 HydrophobicContact CZ3-CB 4.16Å; W181-R205 HydrophobicContact CZ3-CG 3.71Å; R205-T220 PolarHBondContact NE-O 2.84Å; R205-T220 PolarHBondContact NH2-O 3.12Å; R205-I221 HydrophobicContact CG-CB 4.4Å; R205-I221 PolarHBondContact N-O 3.22Å; R205-I221 WeakPolarHBondContact O-CB 3.34Å | ||
| 206 | H | 79.9 | Confident | 75.4 | Confident | 120 Ų | 120 | 81.4 Ų | 81.4 | 56% | 0.556 | 41% | 0.405 | S | S | * | . | trans | -105 | 158.8 | 176.3 | 59 | -85.1 | 0 | 0 | 0 | 111 | G179 | G179-H206 PolarHBondContact N-O 3.38Š| ||
| 207 | I | 79.2 | Confident | 74.2 | Confident | 58 Ų | 58 | 84.7 Ų | 84.7 | 30% | 0.297 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 121.6 | 170.1 | -62.9 | 156.8 | 0 | 0 | 0 | 107 | V178 K209 K210 C218 I221 | V178-I207 HydrophobicContact CG1-CG1 4.24Å; I207-K209 VanDerWaalsContact CG2-O 3.26Å; I207-K209 WeakPolarHBondContact CG2-O 3.37Å; I207-K210 HydrophobicContact CG2-CG 4.04Å; I207-C218 HydrophobicContact CD1-CB 3.69Å; I207-C218 VanDerWaalsContact CD1-SG 3.58Å; I207-C218 HydrophobicContact CG1-CB 4.04Å; I207-I221 HydrophobicContact CD1-CG2 4.24Å; I207-I221 HydrophobicContact CG1-CG2 3.89Å |
| 208 | V | 76.1 | Confident | 73.2 | Confident | 83 Ų | 83 | 80.7 Ų | 80.7 | 50% | 0.503 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | -44.8 | -179.6 | 176.6 | 0 | 0 | 0 | 0 | 110.1 | E177 | E177-V208 HydrophobicContact CB-CB 4.45Å; E177-V208 PolarHBondContact O-N 2.9Å |
| 209 | K | 66.6 | Low | 72.5 | Confident | 117 Ų | 117 | 79 Ų | 79 | 51% | 0.509 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 126.9 | 171.8 | -62.4 | -172.8 | -165.9 | 142.7 | 0 | 110.6 | E177 I207 | E177-K209 HydrophobicContact CB-CB 4.07Å; E177-K209 HydrophobicContact CB-CG 4.37Å; E177-K209 HydrophobicContact CG-CB 4.45Å; E177-K209 HydrophobicContact CG-CD 4.47Å; E177-K209 PolarHBondContact N-O 2.87Å; E177-K209 PolarHBondContact O-N 2.95Å; E177-K209 VanDerWaalsContact O-N 3.15Å; E177-K209 IonicContact OE1-NZ 2.8Å; E177-K209 PolarHBondContact OE1-NZ 3.35Å; E177-K209 WeakPolarHBondContact OE2-CD 3.49Å; E177-K209 WeakPolarHBondContact OE2-CE 3.4Å; E177-K209 WeakPolarHBondContact OE2-CG 3.26Å; E177-K209 IonicContact OE2-NZ 2.87Å; E177-K209 PolarHBondContact OE2-NZ 2.76Å; I207-K209 VanDerWaalsContact CG2-O 3.26Å; I207-K209 WeakPolarHBondContact CG2-O 3.37Å |
| 210 | K | 61.5 | Low | 71.7 | Confident | 174 Ų | 174 | 81.3 Ų | 81.3 | 76% | 0.757 | 43% | 0.432 | S | S | * | . | trans | -81.7 | 149.3 | 172.4 | -70.2 | -176.9 | -179.2 | -179.4 | 0 | 109.9 | I207 | I207-K210 HydrophobicContact CG2-CG 4.04Š| ||
| 211 | P | 62.4 | Low | 71.3 | Confident | 17 Ų | 17 | 83.3 Ų | 83.3 | 11% | 0.11 | 44% | 0.442 | C | S | . | . | trans | -63.1 | 148.5 | 174 | 17.4 | -21.3 | 0 | 0 | 0 | 110.1 | G175 C176 K213 I216 | G175-P211 WeakPolarHBondContact O-CA 3.49Å; G175-P211 VanDerWaalsContact O-CB 3.3Å; G175-P211 WeakPolarHBondContact O-CB 3.34Å; C176-P211 VanDerWaalsContact SG-CD 3.53Å; P211-K213 PolarHBondContact O-N 2.84Å; P211-K213 VanDerWaalsContact O-N 3.14Å; P211-I216 HydrophobicContact CB-CB 3.75Å; P211-I216 HydrophobicContact CB-CD1 3.66Å; P211-I216 HydrophobicContact CB-CG1 4.24Å; P211-I216 HydrophobicContact CB-CG2 4.11Å; P211-I216 HydrophobicContact CG-CB 3.64Å; P211-I216 HydrophobicContact CG-CG2 3.97Å | ||
| 212 | P | 57 | Low | 71 | Confident | 138 Ų | 138 | 82.3 Ų | 82.3 | 90% | 0.896 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -62.4 | -17.6 | 176.3 | -21.2 | 31.3 | 0 | 0 | 0 | 114.1 | ||
| 213 | K | 54.9 | Low | 71 | Confident | 147 Ų | 147 | 83.5 Ų | 83.5 | 64% | 0.639 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -125.5 | 133.4 | 178.1 | -68.1 | -177.7 | 179.6 | 176.2 | 0 | 109.9 | P211 T215 I216 | P211-K213 PolarHBondContact O-N 2.84Å; P211-K213 VanDerWaalsContact O-N 3.14Å; K213-T215 PolarHBondContact O-N 3.28Å; K213-I216 PolarHBondContact O-N 3Å |
| 214 | D | 56.6 | Low | 70.9 | Confident | 174 Ų | 174 | 81.4 Ų | 81.4 | 93% | 0.93 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | 1 | 178.7 | -68.7 | -43.1 | 0 | 0 | 0 | 114.3 | I216 | D214-I216 VanDerWaalsContact C-N 3.28Å; D214-I216 PolarHBondContact O-N 3.45Å |
| 215 | T | 55.2 | Low | 71 | Confident | 118 Ų | 118 | 83.4 Ų | 83.4 | 72% | 0.724 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -3.9 | 177.2 | 48.3 | 0 | 0 | 0 | 0 | 113.8 | K213 P217 | K213-T215 PolarHBondContact O-N 3.28Å; T215-P217 WeakPolarHBondContact O-CD 3.39Å |
| 216 | I | 56.5 | Low | 71.3 | Confident | 44 Ų | 44 | 83.3 Ų | 83.3 | 23% | 0.226 | 44% | 0.437 | C | S | . | . | trans | -109.1 | 106.9 | -173.6 | -61.4 | 165.3 | 0 | 0 | 0 | 110.1 | A164 P211 K213 D214 C218 | A164-I216 HydrophobicContact CB-CD1 3.85Å; A164-I216 HydrophobicContact CB-CG1 4.02Å; A164-I216 HydrophobicContact CB-CG2 3.78Å; P211-I216 HydrophobicContact CB-CB 3.75Å; P211-I216 HydrophobicContact CB-CD1 3.66Å; P211-I216 HydrophobicContact CB-CG1 4.24Å; P211-I216 HydrophobicContact CB-CG2 4.11Å; P211-I216 HydrophobicContact CG-CB 3.64Å; P211-I216 HydrophobicContact CG-CG2 3.97Å; K213-I216 PolarHBondContact O-N 3Å; D214-I216 VanDerWaalsContact C-N 3.28Å; D214-I216 PolarHBondContact O-N 3.45Å; I216-C218 PolarHBondContact O-N 2.81Å | ||
| 217 | P | 59.8 | Low | 71.8 | Confident | 118 Ų | 118 | 78 Ų | 78 | 77% | 0.766 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -73.4 | 126.1 | 172.7 | 27.9 | -30.6 | 0 | 0 | 0 | 110.4 | T215 | T215-P217 WeakPolarHBondContact O-CD 3.39Š|
| 218 | C | 64 | Low | 72.3 | Confident | 34 Ų | 34 | 82.4 Ų | 82.4 | 23% | 0.23 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 154.5 | 176.6 | -66 | 0 | 0 | 0 | 0 | 112.7 | C176 I207 I216 | C176-C218 HydrophobicContact CB-CB 3.63Å; C176-C218 WeakPolarHBondContact CB-SG 3.4Å; C176-C218 WeakPolarHBondContact SG-CA 3.42Å; C176-C218 WeakPolarHBondContact SG-CB 3.25Å; C176-C218 CovalentContact SG-SG 2.04Å; C176-C218 PolarHBondContact SG-SG 3.42Å; I207-C218 HydrophobicContact CD1-CB 3.69Å; I207-C218 VanDerWaalsContact CD1-SG 3.58Å; I207-C218 HydrophobicContact CG1-CB 4.04Å; I216-C218 PolarHBondContact O-N 2.81Å |
| 219 | P | 71.8 | Confident | 72.8 | Confident | 37 Ų | 37 | 79 Ų | 79 | 24% | 0.24 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 160 | 174.7 | 28 | -34.7 | 0 | 0 | 0 | 110.9 | V178 I221 | V178-P219 HydrophobicContact CG1-CG 3.92Å; V178-P219 HydrophobicContact CG2-CG 4.42Å; P219-I221 PolarHBondContact O-N 2.03Å |
| 220 | T | 73.2 | Confident | 73.6 | Confident | 50 Ų | 50 | 76.3 Ų | 76.3 | 31% | 0.307 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -51.1 | 129.1 | -176.3 | -47.4 | 0 | 0 | 0 | 0 | 112.6 | R205 A222 H263 | R205-T220 PolarHBondContact NE-O 2.84Å; R205-T220 PolarHBondContact NH2-O 3.12Å; T220-A222 WeakPolarHBondContact CG2-O 3.49Å; T220-H263 PolarHBondContact OG1-CE1 2.83Å; T220-H263 PolarHBondContact OG1-ND1 2.03Å |
| 221 | I | 82.6 | Confident | 74.3 | Confident | 65 Ų | 65 | 74.5 Ų | 74.5 | 33% | 0.333 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -98.2 | -0.9 | 179 | 60 | 165.5 | 0 | 0 | 0 | 113.9 | W181 T204 R205 I207 P219 | W181-I221 WeakPolarHBondContact CZ3-O 3.28Å; T204-I221 CarbonylContact C-O 3.48Å; T204-I221 VanDerWaalsContact CA-O 3.22Å; T204-I221 WeakPolarHBondContact CA-O 3.21Å; R205-I221 HydrophobicContact CG-CB 4.4Å; R205-I221 PolarHBondContact N-O 3.22Å; R205-I221 WeakPolarHBondContact O-CB 3.34Å; I207-I221 HydrophobicContact CD1-CG2 4.24Å; I207-I221 HydrophobicContact CG1-CG2 3.89Å; P219-I221 PolarHBondContact O-N 2.03Å |
| 222 | A | 85.1 | Confident | 75.1 | Confident | 7 Ų | 7 | 82.3 Ų | 82.3 | 6% | 0.058 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 134.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | R203 T204 T220 H266 | R203-A222 WeakPolarHBondContact O-CA 3.4Å; T204-A222 HydrophobicContact CG2-CB 4.03Å; T220-A222 WeakPolarHBondContact CG2-O 3.49Å; A222-H266 HydrophobicContact CB-CB 4.21Å; A222-H266 WeakPolarHBondContact CB-CD2 3.11Å; A222-H266 VanDerWaalsContact CB-CG 3.48Å; A222-H266 VanDerWaalsContact CB-NE2 3.26Å; A222-H266 WeakPolarHBondContact CB-NE2 3.43Å |
| 223 | E | 88.5 | Confident | 76.2 | Confident | 72 Ų | 72 | 84.7 Ų | 84.7 | 34% | 0.336 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 140.7 | -179.4 | -173 | -175 | 174.9 | 0 | 0 | 109.7 | W181 W184 T202 R203 | W181-E223 HydrophobicContact CH2-CB 3.85Å; W181-E223 HydrophobicContact CZ2-CB 4.37Å; W181-E223 HydrophobicContact CZ3-CB 4.08Å; W184-E223 HydrophobicContact CH2-CB 4.43Å; W184-E223 HydrophobicContact CH2-CG 4.03Å; T202-E223 CarbonylContact C-O 3.58Å; T202-E223 VanDerWaalsContact CA-O 3.25Å; T202-E223 WeakPolarHBondContact CA-O 3.4Å; T202-E223 WeakPolarHBondContact CG2-O 3.04Å; R203-E223 HydrophobicContact CG-CB 4.06Å; R203-E223 IonicContact CZ-OE2 2.84Å; R203-E223 PolarHBondContact N-O 3.09Å; R203-E223 IonicContact NE-OE2 2.88Å; R203-E223 PolarHBondContact NE-OE2 3.17Å; R203-E223 IonicContact NH2-OE1 2.94Å; R203-E223 IonicContact NH2-OE2 2.65Å; R203-E223 PolarHBondContact NH2-OE2 3.4Å; R203-E223 PolarHBondContact O-N 3.15Å |
| 224 | S | 87.8 | Confident | 77.3 | Confident | 12 Ų | 12 | 80 Ų | 80 | 8% | 0.084 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 146.3 | 171.3 | 62.8 | 0 | 0 | 0 | 0 | 112.9 | E201 A259 Q262 | E201-S224 CarbonylContact O-C 3.51Å; E201-S224 WeakPolarHBondContact O-CA 3.43Å; E201-S224 WeakPolarHBondContact O-CB 3.37Å; S224-A259 WeakPolarHBondContact OG-CA 3.35Å; S224-Q262 PolarHBondContact OG-OE1 3.47Å |
| 225 | R | 89.4 | Confident | 78.2 | Confident | 110 Ų | 110 | 83.8 Ų | 83.8 | 42% | 0.415 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 157.7 | 174.6 | 71.2 | 179.7 | -172.7 | -168.4 | -4.6 | 111.4 | W184 L200 E201 | W184-R225 HydrophobicContact CD2-CG 4.45Å; W184-R225 VanDerWaalsContact CE2-CZ 3.43Å; W184-R225 HydrophobicContact CE3-CG 4.07Å; W184-R225 HydrophobicContact CH2-CB 4.07Å; W184-R225 HydrophobicContact CH2-CG 3.68Å; W184-R225 HydrophobicContact CZ2-CG 4.1Å; W184-R225 HydrophobicContact CZ3-CB 4.25Å; W184-R225 HydrophobicContact CZ3-CG 3.67Å; L200-R225 WeakPolarHBondContact CA-O 3.43Å; E201-R225 VanDerWaalsContact CD-NH2 3.35Å; E201-R225 HydrophobicContact CG-CG 3.49Å; E201-R225 VanDerWaalsContact CG-CG 3.49Å; E201-R225 PolarHBondContact N-O 3.3Å; E201-R225 PolarHBondContact O-N 3.08Å; E201-R225 WeakPolarHBondContact OE1-CG 3.27Å; E201-R225 IonicContact OE1-CZ 2.65Å; E201-R225 VanDerWaalsContact OE1-CZ 3.3Å; E201-R225 IonicContact OE1-NE 2.81Å; E201-R225 PolarHBondContact OE1-NE 2.94Å; E201-R225 IonicContact OE1-NH2 3.13Å; E201-R225 PolarHBondContact OE1-NH2 2.04Å; E201-R225 VanDerWaalsContact OE1-NH2 3.11Å; E201-R225 IonicContact OE2-CZ 3.86Å; E201-R225 IonicContact OE2-NE 3.67Å; E201-R225 IonicContact OE2-NH2 3.97Å; E201-R225 PolarHBondContact OE2-NH2 2.92Å; E201-R225 VanDerWaalsContact OE2-NH2 3.09Å |
| 226 | M | 89.1 | Confident | 79.1 | Confident | 54 Ų | 54 | 89.6 Ų | 89.6 | 27% | 0.266 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 130.4 | 177.5 | -170.3 | 179 | 69.7 | 0 | 0 | 110.3 | W198 K252 L255 R256 | W198-M226 HydrophobicContact CD2-CE 4.47Å; W198-M226 HydrophobicContact CD2-SD 4.46Å; W198-M226 HydrophobicContact CE3-CE 3.9Å; W198-M226 HydrophobicContact CE3-CG 4.08Å; W198-M226 HydrophobicContact CE3-SD 4.17Å; W198-M226 HydrophobicContact CZ3-CE 3.96Å; M226-K252 HydrophobicContact SD-CG 4.31Å; M226-L255 HydrophobicContact CG-CD2 4.17Å; M226-R256 HydrophobicContact SD-CG 4.4Å |
| 227 | C | 90.1 | Very high | 79.1 | Confident | 9 Ų | 9 | 90.7 Ų | 90.7 | 6% | 0.061 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 150.5 | -177.3 | 53.2 | 0 | 0 | 0 | 0 | 110.9 | C187 W198 G199 E201 | C187-C227 WeakPolarHBondContact CA-SG 3.37Å; C187-C227 HydrophobicContact CB-CB 3.74Å; C187-C227 WeakPolarHBondContact CB-SG 3.43Å; C187-C227 VanDerWaalsContact SG-C 3.58Å; C187-C227 WeakPolarHBondContact SG-CB 3.21Å; C187-C227 CovalentContact SG-SG 1.99Å; C187-C227 PolarHBondContact SG-SG 2.89Å; W198-C227 WeakPolarHBondContact CA-O 3.43Å; G199-C227 PolarHBondContact N-O 3.49Å; G199-C227 PolarHBondContact O-N 2.87Å; G199-C227 PolarHBondContact O-SG 3.49Å; G199-C227 VanDerWaalsContact O-SG 3.39Å; E201-C227 HydrophobicContact CB-CB 4.41Å; E201-C227 HydrophobicContact CG-CB 4Å; E201-C227 PolarHBondContact N-SG 2.82Å; E201-C227 VanDerWaalsContact N-SG 3.42Å; E201-C227 VanDerWaalsContact OE1-CB 3.31Å; E201-C227 WeakPolarHBondContact OE1-CB 3.06Å |
| 228 | K | 89.8 | Confident | 79 | Confident | 151 Ų | 151 | 92.9 Ų | 92.9 | 66% | 0.657 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 125.3 | 176.5 | -169.2 | -179 | 177 | -171.6 | 0 | 108.5 | W198 | W198-K228 HydrophobicContact CE3-CB 4.09Å; W198-K228 HydrophobicContact CE3-CG 4.49Å; W198-K228 HydrophobicContact CH2-CB 4.3Å; W198-K228 HydrophobicContact CH2-CD 4.47Å; W198-K228 HydrophobicContact CH2-CG 4.35Å; W198-K228 HydrophobicContact CZ3-CB 3.76Å; W198-K228 HydrophobicContact CZ3-CG 4.23Å |
| 229 | M | 87.1 | Confident | 78.4 | Confident | 12 Ų | 12 | 96.1 Ų | 96.1 | 6% | 0.059 | 48% | 0.476 | C | S | . | . | P | Polyproline II helix | trans | -91.5 | 148.6 | -177.6 | -63.1 | 171.9 | 79.9 | 0 | 0 | 110.5 | C187 R189 K192 T193 Y196 K197 W198 M231 | C187-M229 HydrophobicContact CB-CG 4.32Å; C187-M229 WeakPolarHBondContact SG-CG 3.25Å; R189-M229 HydrophobicContact CB-SD 4.24Å; K192-M229 VanDerWaalsContact O-CE 3.29Å; K192-M229 WeakPolarHBondContact O-CE 2.95Å; T193-M229 VanDerWaalsContact CA-CE 3.43Å; T193-M229 WeakPolarHBondContact O-CE 3.11Å; Y196-M229 VanDerWaalsContact O-CB 3.29Å; Y196-M229 WeakPolarHBondContact O-CB 3.43Å; K197-M229 PolarHBondContact O-N 2.85Å; W198-M229 VanDerWaalsContact C-SD 3.52Å; M229-M231 PolarHBondContact O-N 3.1Å |
| 230 | A | 82.6 | Confident | 77.8 | Confident | 59 Ų | 59 | 97.9 Ų | 97.9 | 49% | 0.488 | 50% | 0.501 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 121 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | R232 | A230-R232 HydrophobicContact CB-CG 4.42Å; A230-R232 PolarHBondContact O-N 2.96Å |
| 231 | M | 76.1 | Confident | 76.8 | Confident | 136 Ų | 136 | 104.8 Ų | 104.8 | 67% | 0.67 | 53% | 0.527 | S | S | * | . | trans | -69.4 | 97.2 | 179.3 | -76.4 | -71.9 | -68.2 | 0 | 0 | 109.3 | K197 M229 | K197-M231 HydrophobicContact CB-SD 3.75Å; K197-M231 HydrophobicContact CG-SD 4.39Å; M229-M231 PolarHBondContact O-N 3.1Å | ||
| 232 | R | 80.8 | Confident | 75.3 | Confident | 181 Ų | 181 | 111.4 Ų | 111.4 | 68% | 0.683 | 56% | 0.556 | S | S | * | * | trans | -123 | 139.9 | 175 | -60.9 | -177.3 | -178.1 | -175.6 | 0.8 | 109.2 | C194 G195 A230 | C194-R232 HydrophobicContact CB-CB 4.39Å; C194-R232 WeakPolarHBondContact CB-O 3.43Å; G195-R232 PolarHBondContact N-O 2.03Å; A230-R232 HydrophobicContact CB-CG 4.42Å; A230-R232 PolarHBondContact O-N 2.96Å | ||
| 233 | H | 79.1 | Confident | 73.9 | Confident | 189 Ų | 189 | 118.6 Ų | 118.6 | 88% | 0.875 | 58% | 0.582 | S | S | * | * | trans | -71.2 | 131.3 | 170.5 | -69.3 | -78.2 | 0 | 0 | 0 | 109 | R235 | H233-R235 PolarHBondContact O-N 2.9Š| ||
| 234 | C | 78.9 | Confident | 72.2 | Confident | 48 Ų | 48 | 120.2 Ų | 120.2 | 32% | 0.324 | 60% | 0.601 | S | S | . | * | trans | -66.7 | 126.9 | 174.4 | -63.5 | 0 | 0 | 0 | 0 | 109.3 | C194 R236 | C194-C234 HydrophobicContact CB-CB 4.1Å; C194-C234 WeakPolarHBondContact CB-SG 3.25Å; C194-C234 PolarHBondContact O-SG 3.13Å; C194-C234 VanDerWaalsContact O-SG 3.33Å; C194-C234 WeakPolarHBondContact SG-CA 3.39Å; C194-C234 WeakPolarHBondContact SG-CB 3.31Å; C194-C234 CovalentContact SG-SG 2.04Å; C194-C234 PolarHBondContact SG-SG 2.94Å; C234-R236 PolarHBondContact O-N 3Å; C234-R236 VanDerWaalsContact O-N 3.13Å | ||
| 235 | R | 75.5 | Confident | 70.7 | Confident | 254 Ų | 254 | 129.9 Ų | 129.9 | 96% | 0.958 | 64% | 0.642 | S | S | * | * | trans | -62.1 | 114.3 | 172.1 | -152.3 | 174 | 179.5 | 173.4 | -0.8 | 107.1 | H233 G237 | H233-R235 PolarHBondContact O-N 2.9Å; R235-G237 PolarHBondContact O-N 3.41Å | ||
| 236 | R | 72.6 | Confident | 69.3 | Low | 239 Ų | 239 | 127.9 Ų | 127.9 | 90% | 0.902 | 64% | 0.637 | S | S | * | * | trans | -62.3 | 119.7 | -168.8 | -89.4 | -179.4 | 167.1 | -173.3 | -2.8 | 111.3 | C234 | C234-R236 PolarHBondContact O-N 3Å; C234-R236 VanDerWaalsContact O-N 3.13Å | ||
| 237 | G | 57.3 | Low | 68.2 | Low | 67 Ų | 67 | 129.4 Ų | 129.4 | 69% | 0.691 | 65% | 0.651 | S | S | * | * | trans | -95.1 | 136.2 | 139.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | R235 S239 | R235-G237 PolarHBondContact O-N 3.41Å; G237-S239 PolarHBondContact O-N 2.87Å | ||
| 238 | N | 57.2 | Low | 67 | Low | 164 Ų | 164 | 138.3 Ų | 138.3 | 88% | 0.877 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -57.9 | 114.9 | -166.4 | -145.1 | 2.6 | 0 | 0 | 0 | 113 | ||
| 239 | S | 52.3 | Low | 65.9 | Low | 103 Ų | 103 | 139.8 Ų | 139.8 | 72% | 0.72 | 70% | 0.695 | S | S | * | * | trans | -161.7 | 90.2 | 156.5 | 70.3 | 0 | 0 | 0 | 0 | 109.5 | G237 K241 | G237-S239 PolarHBondContact O-N 2.87Å; S239-K241 PolarHBondContact O-N 2.86Å | ||
| 240 | G | 59 | Low | 65.1 | Low | 74 Ų | 74 | 145.1 Ų | 145.1 | 76% | 0.763 | 72% | 0.718 | S | S | * | * | trans | -67 | 114 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 241 | K | 52 | Low | 64.8 | Low | 194 Ų | 194 | 144 Ų | 144 | 84% | 0.843 | 70% | 0.703 | S | S | * | * | trans | -139.2 | 119.4 | 148.8 | -83.6 | -171.9 | 177.8 | 176.8 | 0 | 106.9 | S239 R243 | S239-K241 PolarHBondContact O-N 2.86Å; K241-R243 VanDerWaalsContact C-N 3.33Å; K241-R243 PolarHBondContact O-N 3.45Å | ||
| 242 | H | 51.8 | Low | 64.9 | Low | 205 Ų | 205 | 141.1 Ų | 141.1 | 95% | 0.949 | 69% | 0.688 | S | S | * | * | trans | -54.5 | 99.4 | 164.1 | -106 | -103.2 | 0 | 0 | 0 | 107.5 | ||||
| 243 | R | 54.9 | Low | 65 | Low | 157 Ų | 157 | 139 Ų | 139 | 59% | 0.592 | 69% | 0.685 | S | S | * | * | trans | -77.3 | 124.3 | 168.3 | -86.4 | -174.8 | 166.8 | 160.7 | 4.4 | 107.1 | K241 K245 | K241-R243 VanDerWaalsContact C-N 3.33Å; K241-R243 PolarHBondContact O-N 3.45Å; R243-K245 PolarHBondContact O-N 2.79Å | ||
| 244 | S | 53.7 | Low | 65.1 | Low | 107 Ų | 107 | 135.4 Ų | 135.4 | 75% | 0.748 | 66% | 0.664 | S | S | * | * | trans | -45.5 | 127.3 | 166 | 50.4 | 0 | 0 | 0 | 0 | 108.9 | E246 | S244-E246 PolarHBondContact O-N 2.85Š| ||
| 245 | K | 54.7 | Low | 65.2 | Low | 214 Ų | 214 | 133.6 Ų | 133.6 | 93% | 0.93 | 65% | 0.651 | S | S | * | * | trans | -68.6 | 83.3 | 177.2 | -75.7 | 179.1 | 180 | 168.8 | 0 | 107.9 | R243 | R243-K245 PolarHBondContact O-N 2.79Š| ||
| 246 | E | 61.3 | Low | 65.5 | Low | 68 Ų | 68 | 128 Ų | 128 | 32% | 0.318 | 63% | 0.63 | S | S | . | * | trans | -55.4 | 139.9 | 168.3 | -87.9 | -167.1 | 141 | 0 | 0 | 109.1 | S244 K248 R254 | S244-E246 PolarHBondContact O-N 2.85Å; E246-K248 PolarHBondContact O-N 3.36Å; E246-R254 IonicContact OE1-NH1 3.31Å; E246-R254 PolarHBondContact OE1-NH1 2.89Å; E246-R254 IonicContact OE2-NH1 3.57Å | ||
| 247 | P | 66.3 | Low | 66 | Low | 86 Ų | 86 | 122.6 Ų | 122.6 | 56% | 0.558 | 61% | 0.613 | S | S | * | * | trans | -54.4 | 127.5 | 179.9 | -24 | 31.1 | 0 | 0 | 0 | 111.4 | K249 K250 N251 | P247-K249 PolarHBondContact O-N 3.45Å; P247-K250 HydrophobicContact CB-CB 4.35Å; P247-K250 PolarHBondContact O-N 2.89Å; P247-N251 PolarHBondContact O-N 3.13Å | ||
| 248 | K | 64.8 | Low | 67.1 | Low | 196 Ų | 196 | 125.7 Ų | 125.7 | 85% | 0.852 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -51.6 | -33.6 | -178.6 | -69.8 | 177.6 | -179 | 170.3 | 0 | 112.7 | E246 K252 | E246-K248 PolarHBondContact O-N 3.36Å; K248-K252 PolarHBondContact O-N 3.14Å; K248-K252 VanDerWaalsContact O-N 3.16Å |
| 249 | K | 65.6 | Low | 68.1 | Low | 182 Ų | 182 | 119.1 Ų | 119.1 | 79% | 0.791 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66.5 | -47.3 | 178.2 | -161.7 | 175.9 | -179.1 | -177.8 | 0 | 112.1 | P247 N251 K252 Q253 | P247-K249 PolarHBondContact O-N 3.45Å; K249-N251 VanDerWaalsContact C-N 3.3Å; K249-N251 PolarHBondContact O-N 3.41Å; K249-K252 PolarHBondContact O-N 3.39Å; K249-Q253 PolarHBondContact O-N 2.9Å |
| 250 | K | 71.7 | Confident | 69.3 | Low | 124 Ų | 124 | 121.3 Ų | 121.3 | 54% | 0.539 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61.4 | -38.6 | 177.6 | -165.3 | 175.3 | -175.3 | 178.3 | 0 | 111.6 | P247 Q253 R254 | P247-K250 HydrophobicContact CB-CB 4.35Å; P247-K250 PolarHBondContact O-N 2.89Å; K250-Q253 PolarHBondContact O-N 2.82Å; K250-R254 WeakPolarHBondContact O-CG 3.34Å; K250-R254 PolarHBondContact O-N 2.99Å |
| 251 | N | 75.8 | Confident | 69.7 | Low | 35 Ų | 35 | 121 Ų | 121 | 19% | 0.187 | 55% | 0.552 | C | S | . | * | H | α-helix | trans | -74.8 | -31.2 | -178.3 | -150.2 | -6.3 | 0 | 0 | 0 | 113.1 | R189 P247 K249 L255 | R189-N251 PolarHBondContact NH2-ND2 3.3Å; R189-N251 PolarHBondContact NH2-OD1 3.21Å; P247-N251 PolarHBondContact O-N 3.13Å; K249-N251 VanDerWaalsContact C-N 3.3Å; K249-N251 PolarHBondContact O-N 3.41Å; N251-L255 PolarHBondContact O-N 2.7Å |
| 252 | K | 77.9 | Confident | 70.3 | Confident | 77 Ų | 77 | 113.8 Ų | 113.8 | 34% | 0.335 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.5 | -40.6 | 170.4 | -173.1 | 179.5 | -179.6 | -176.6 | 0 | 111.2 | M226 K248 K249 L255 R256 | M226-K252 HydrophobicContact SD-CG 4.31Å; K248-K252 PolarHBondContact O-N 3.14Å; K248-K252 VanDerWaalsContact O-N 3.16Å; K249-K252 PolarHBondContact O-N 3.39Å; K252-L255 WeakPolarHBondContact O-CB 3.38Å; K252-L255 PolarHBondContact O-N 3.23Å; K252-R256 PolarHBondContact O-N 2.84Å |
| 253 | Q | 82 | Confident | 70.5 | Confident | 135 Ų | 135 | 108.3 Ų | 108.3 | 63% | 0.631 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.5 | -41.5 | 177.2 | -167 | 170.3 | 2.3 | 0 | 0 | 111.9 | K249 K250 L255 R256 F257 | K249-Q253 PolarHBondContact O-N 2.9Å; K250-Q253 PolarHBondContact O-N 2.82Å; Q253-L255 VanDerWaalsContact C-N 3.29Å; Q253-L255 PolarHBondContact O-N 3.18Å; Q253-R256 PolarHBondContact O-N 3.2Å; Q253-F257 WeakPolarHBondContact O-CB 3.08Å; Q253-F257 PolarHBondContact O-N 3.16Å |
| 254 | R | 82 | Confident | 70.4 | Confident | 115 Ų | 115 | 104.3 Ų | 104.3 | 43% | 0.434 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.7 | -36.6 | 171.1 | -75.7 | 176.8 | 91.6 | 176.1 | 9.5 | 113 | E246 K250 R258 | E246-R254 IonicContact OE1-NH1 3.31Å; E246-R254 PolarHBondContact OE1-NH1 2.89Å; E246-R254 IonicContact OE2-NH1 3.57Å; K250-R254 WeakPolarHBondContact O-CG 3.34Å; K250-R254 PolarHBondContact O-N 2.99Å; R254-R258 WeakPolarHBondContact O-CB 3.44Å; R254-R258 WeakPolarHBondContact O-CG 2.99Å; R254-R258 PolarHBondContact O-N 3.25Å |
| 255 | L | 81.1 | Confident | 70.3 | Confident | 10 Ų | 10 | 103.9 Ų | 103.9 | 5% | 0.052 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -67.3 | -43.2 | 176.1 | -119.9 | 92.3 | 0 | 0 | 0 | 111.9 | W198 G199 L200 M226 N251 K252 Q253 R258 A259 | W198-L255 HydrophobicContact CB-CD2 4.4Å; G199-L255 VanDerWaalsContact O-CD2 3.28Å; G199-L255 WeakPolarHBondContact O-CD2 3.49Å; L200-L255 HydrophobicContact CD1-CG 4.39Å; L200-L255 HydrophobicContact CD2-CD2 4.23Å; L200-L255 HydrophobicContact CD2-CG 4.45Å; L200-L255 HydrophobicContact CG-CD2 3.98Å; L200-L255 HydrophobicContact CG-CG 4.15Å; M226-L255 HydrophobicContact CG-CD2 4.17Å; N251-L255 PolarHBondContact O-N 2.7Å; K252-L255 WeakPolarHBondContact O-CB 3.38Å; K252-L255 PolarHBondContact O-N 3.23Å; Q253-L255 VanDerWaalsContact C-N 3.29Å; Q253-L255 PolarHBondContact O-N 3.18Å; L255-R258 PolarHBondContact O-N 2.79Å; L255-A259 PolarHBondContact O-N 2.03Å |
| 256 | R | 81.3 | Confident | 70.2 | Confident | 137 Ų | 137 | 97.2 Ų | 97.2 | 52% | 0.517 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.4 | -45.9 | 175.6 | -74.4 | -179 | 170.1 | -175.8 | -7 | 111.7 | M226 K252 Q253 R258 A259 Q260 | M226-R256 HydrophobicContact SD-CG 4.4Å; K252-R256 PolarHBondContact O-N 2.84Å; Q253-R256 PolarHBondContact O-N 3.2Å; R256-R258 VanDerWaalsContact C-N 3.31Å; R256-R258 PolarHBondContact O-N 3.27Å; R256-A259 WeakPolarHBondContact O-CB 3.19Å; R256-A259 PolarHBondContact O-N 2.94Å; R256-Q260 WeakPolarHBondContact O-CG 3.22Å; R256-Q260 PolarHBondContact O-N 3.28Å |
| 257 | F | 82.6 | Confident | 69.5 | Low | 124 Ų | 124 | 98.5 Ų | 98.5 | 54% | 0.544 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.8 | -40.5 | 176.3 | -173.5 | -102.3 | 0 | 0 | 0 | 111.9 | Q253 Q260 N261 | Q253-F257 WeakPolarHBondContact O-CB 3.08Å; Q253-F257 PolarHBondContact O-N 3.16Å; F257-Q260 PolarHBondContact O-N 2.02Å; F257-N261 WeakPolarHBondContact CE1-ND2 3Å; F257-N261 WeakPolarHBondContact CE2-ND2 3.37Å; F257-N261 WeakPolarHBondContact CZ-ND2 3.43Å; F257-N261 WeakPolarHBondContact O-CB 3.39Å; F257-N261 PolarHBondContact O-N 2.64Å |
| 258 | R | 80.7 | Confident | 68.4 | Low | 133 Ų | 133 | 97.2 Ų | 97.2 | 50% | 0.502 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.1 | -38.8 | 173.6 | -79.8 | 179.7 | 176 | -163.6 | -6 | 113.5 | L200 R254 L255 R256 Q260 N261 Q262 | L200-R258 HydrophobicContact CD1-CB 4.1Å; R254-R258 WeakPolarHBondContact O-CB 3.44Å; R254-R258 WeakPolarHBondContact O-CG 2.99Å; R254-R258 PolarHBondContact O-N 3.25Å; L255-R258 PolarHBondContact O-N 2.79Å; R256-R258 VanDerWaalsContact C-N 3.31Å; R256-R258 PolarHBondContact O-N 3.27Å; R258-Q260 PolarHBondContact O-N 2.93Å; R258-N261 PolarHBondContact O-N 3.45Å; R258-Q262 WeakPolarHBondContact O-CG 2.97Å; R258-Q262 PolarHBondContact O-N 3.12Å |
| 259 | A | 79.4 | Confident | 67.5 | Low | 25 Ų | 25 | 91.3 Ų | 91.3 | 21% | 0.207 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -62.3 | -36.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | L200 S224 L255 R256 | L200-A259 HydrophobicContact CD2-CB 3.81Å; S224-A259 WeakPolarHBondContact OG-CA 3.35Å; L255-A259 PolarHBondContact O-N 2.03Å; R256-A259 WeakPolarHBondContact O-CB 3.19Å; R256-A259 PolarHBondContact O-N 2.94Å |
| 260 | Q | 76.1 | Confident | 66.4 | Low | 150 Ų | 150 | 85.4 Ų | 85.4 | 70% | 0.701 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -77 | -37.3 | 179.3 | -71 | 172.8 | -29.9 | 0 | 0 | 113.1 | R256 F257 R258 | R256-Q260 WeakPolarHBondContact O-CG 3.22Å; R256-Q260 PolarHBondContact O-N 3.28Å; F257-Q260 PolarHBondContact O-N 2.02Å; R258-Q260 PolarHBondContact O-N 2.93Å |
| 261 | N | 68.9 | Low | 64.9 | Low | 66 Ų | 66 | 89.7 Ų | 89.7 | 35% | 0.353 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -92.9 | 1 | -172.1 | -75 | 17.7 | 0 | 0 | 0 | 115.4 | F257 R258 H263 S264 | F257-N261 WeakPolarHBondContact CE1-ND2 3Å; F257-N261 WeakPolarHBondContact CE2-ND2 3.37Å; F257-N261 WeakPolarHBondContact CZ-ND2 3.43Å; F257-N261 WeakPolarHBondContact O-CB 3.39Å; F257-N261 PolarHBondContact O-N 2.64Å; R258-N261 PolarHBondContact O-N 3.45Å; N261-H263 PolarHBondContact O-N 2.67Å; N261-H263 VanDerWaalsContact O-N 3.15Å; N261-S264 PolarHBondContact O-N 3.47Å; N261-S264 VanDerWaalsContact O-N 3.12Å |
| 262 | Q | 64 | Low | 63 | Low | 43 Ų | 43 | 92.4 Ų | 92.4 | 20% | 0.201 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -69.9 | -10 | -175 | -100.5 | -175.8 | 5.3 | 0 | 0 | 115.1 | S224 R258 S264 D265 H266 | S224-Q262 PolarHBondContact OG-OE1 3.47Å; R258-Q262 WeakPolarHBondContact O-CG 2.97Å; R258-Q262 PolarHBondContact O-N 3.12Å; Q262-S264 PolarHBondContact O-N 2.86Å; Q262-D265 PolarHBondContact O-N 3.34Å; Q262-H266 PolarHBondContact O-N 3Å |
| 263 | H | 56.4 | Low | 61.1 | Low | 91 Ų | 91 | 93.7 Ų | 93.7 | 42% | 0.421 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -53.2 | -40.6 | 166.6 | 178.5 | 63.7 | 0 | 0 | 0 | 111.2 | T220 N261 L267 | T220-H263 PolarHBondContact OG1-CE1 2.83Å; T220-H263 PolarHBondContact OG1-ND1 2.03Å; N261-H263 PolarHBondContact O-N 2.67Å; N261-H263 VanDerWaalsContact O-N 3.15Å; H263-L267 WeakPolarHBondContact O-CD1 3.33Å; H263-L267 WeakPolarHBondContact O-CG 3.3Å |
| 264 | S | 53 | Low | 58.8 | Low | 73 Ų | 73 | 98.5 Ų | 98.5 | 51% | 0.51 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -74.6 | -36.6 | -177.9 | -46.9 | 0 | 0 | 0 | 0 | 113.3 | N261 Q262 A268 | N261-S264 PolarHBondContact O-N 3.47Å; N261-S264 VanDerWaalsContact O-N 3.12Å; Q262-S264 PolarHBondContact O-N 2.86Å; S264-A268 PolarHBondContact O-N 2.92Å |
| 265 | D | 50.3 | Low | 57.7 | Low | 97 Ų | 97 | 97.7 Ų | 97.7 | 52% | 0.519 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -73.9 | -34.4 | -175.4 | -69.6 | -23.1 | 0 | 0 | 0 | 112.3 | Q262 A268 S269 | Q262-D265 PolarHBondContact O-N 3.34Å; D265-A268 PolarHBondContact O-N 3.11Å; D265-S269 PolarHBondContact O-N 2.76Å |
| 266 | H | 52.2 | Low | 56.5 | Low | 75 Ų | 75 | 102.3 Ų | 102.3 | 35% | 0.347 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -71 | -36.2 | 175.7 | -110.3 | -72 | 0 | 0 | 0 | 112.6 | A222 Q262 A268 S269 A270 | A222-H266 HydrophobicContact CB-CB 4.21Å; A222-H266 WeakPolarHBondContact CB-CD2 3.11Å; A222-H266 VanDerWaalsContact CB-CG 3.48Å; A222-H266 VanDerWaalsContact CB-NE2 3.26Å; A222-H266 WeakPolarHBondContact CB-NE2 3.43Å; Q262-H266 PolarHBondContact O-N 3Å; H266-A268 VanDerWaalsContact C-N 3.27Å; H266-A268 PolarHBondContact O-N 2.68Å; H266-S269 PolarHBondContact O-N 2.78Å; H266-A270 PolarHBondContact O-N 3.37Å; H266-A270 VanDerWaalsContact O-N 3.11Å |
| 267 | L | 48.1 | Very low | 55.1 | Low | 94 Ų | 94 | 100.4 Ų | 100.4 | 49% | 0.492 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.7 | -33.6 | 172.9 | -70.5 | 168.4 | 0 | 0 | 0 | 111.7 | H263 R271 | H263-L267 WeakPolarHBondContact O-CD1 3.33Å; H263-L267 WeakPolarHBondContact O-CG 3.3Å; L267-R271 PolarHBondContact O-N 3.25Å |
| 268 | A | 41.8 | Very low | 53.5 | Low | 60 Ų | 60 | 99 Ų | 99 | 50% | 0.496 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -70.3 | -40.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | S264 D265 H266 R271 S272 | S264-A268 PolarHBondContact O-N 2.92Å; D265-A268 PolarHBondContact O-N 3.11Å; H266-A268 VanDerWaalsContact C-N 3.27Å; H266-A268 PolarHBondContact O-N 2.68Å; A268-R271 PolarHBondContact O-N 2.7Å; A268-S272 PolarHBondContact O-N 3.31Å |
| 269 | S | 45.8 | Very low | 51.8 | Low | 71 Ų | 71 | 96.9 Ų | 96.9 | 50% | 0.497 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -70.8 | -29.3 | 175.5 | -82.2 | 0 | 0 | 0 | 0 | 113.9 | D265 H266 S272 S273 | D265-S269 PolarHBondContact O-N 2.76Å; H266-S269 PolarHBondContact O-N 2.78Å; S269-S272 PolarHBondContact O-OG 2.83Å; S269-S273 PolarHBondContact O-OG 2.82Å |
| 270 | A | 42.8 | Very low | 49.9 | Very low | 59 Ų | 59 | 101.7 Ų | 101.7 | 49% | 0.488 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -69.9 | -34.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | H266 S273 | H266-A270 PolarHBondContact O-N 3.37Å; H266-A270 VanDerWaalsContact O-N 3.11Å; A270-S273 PolarHBondContact O-N 3.05Å |
| 271 | R | 40.4 | Very low | 48 | Very low | 213 Ų | 213 | 98.2 Ų | 98.2 | 80% | 0.804 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -73.6 | -25.4 | 176.2 | -78.6 | -175.9 | 175.6 | -176.7 | -1.3 | 114.3 | L267 A268 S273 | L267-R271 PolarHBondContact O-N 3.25Å; A268-R271 PolarHBondContact O-N 2.7Å; R271-S273 VanDerWaalsContact C-N 3.25Å; R271-S273 PolarHBondContact O-N 3.27Å |
| 272 | S | 37.1 | Very low | 46.4 | Very low | 93 Ų | 93 | 100.7 Ų | 100.7 | 65% | 0.65 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | 0.5 | 176.6 | 60.3 | 0 | 0 | 0 | 0 | 113.9 | A268 S269 | A268-S272 PolarHBondContact O-N 3.31Å; S269-S272 PolarHBondContact O-OG 2.83Å |
| 273 | S | 37.9 | Very low | 45 | Very low | 103 Ų | 103 | 105.5 Ų | 105.5 | 72% | 0.72 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.1 | 11.8 | -177.1 | -49.2 | 0 | 0 | 0 | 0 | 112.9 | S269 A270 R271 | S269-S273 PolarHBondContact O-OG 2.82Å; A270-S273 PolarHBondContact O-N 3.05Å; R271-S273 VanDerWaalsContact C-N 3.25Å; R271-S273 PolarHBondContact O-N 3.27Å |
| 274 | Q | 33.9 | Very low | 43.9 | Very low | 237 Ų | 237 | 106.8 Ų | 106.8 | 100% | 1.107 | 60% | 0.603 | S | S | * | * | trans | -109.7 | 0 | 170.7 | -80.5 | -176.6 | -16.6 | 0 | 0 | 110 |
Retrieved 274 of 274 residues in 172.2 ms
(Link to these results)