| 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 | 35.8 | Very low | 33 | Very low | 239 Ų | 239 | 157.9 Ų | 157.9 | 100% | 1.177 | 83% | 0.829 | S | S | * | * | 0 | 144.7 | 0 | -69.9 | -66 | 176.1 | 0 | 0 | 108.2 | |||||
| 2 | P | 43.2 | Very low | 33.5 | Very low | 126 Ų | 126 | 156 Ų | 156 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | cis | -126.9 | 177.8 | -6.7 | 35.7 | -16.8 | 0 | 0 | 0 | 114.8 | ||||
| 3 | R | 38.8 | Very low | 33.6 | Very low | 207 Ų | 207 | 150.9 Ų | 150.9 | 78% | 0.781 | 81% | 0.813 | S | S | * | * | trans | -67.7 | 159.4 | 177.6 | -74.6 | 161.3 | 119.3 | 146.1 | -2.7 | 114.5 | ||||
| 4 | A | 29.5 | Very low | 33.7 | Very low | 103 Ų | 103 | 148.8 Ų | 148.8 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | -149.6 | 139.3 | 129.3 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 5 | F | 33.5 | Very low | 33.9 | Very low | 151 Ų | 151 | 147.7 Ų | 147.7 | 66% | 0.662 | 81% | 0.814 | S | S | * | * | trans | -80.2 | 152.9 | -179.5 | -79.9 | -107.9 | 0 | 0 | 0 | 111.9 | ||||
| 6 | L | 32.5 | Very low | 34 | Very low | 176 Ų | 176 | 149.7 Ų | 149.7 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | -142.2 | 131.3 | 141.3 | -101.4 | 168.5 | 0 | 0 | 0 | 110.7 | ||||
| 7 | V | 31.4 | Very low | 34 | Very low | 107 Ų | 107 | 153.9 Ų | 153.9 | 65% | 0.648 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 129.6 | -166 | 173.7 | 0 | 0 | 0 | 0 | 111.4 | K9 | V7-K9 HydrophobicContact CG1-CG 4.18Š|
| 8 | K | 33.1 | Very low | 33.8 | Very low | 210 Ų | 210 | 153.5 Ų | 153.5 | 91% | 0.913 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -102.8 | 117 | 150.8 | -74.8 | -173.4 | -179.4 | -179.2 | 0 | 107.9 | ||
| 9 | K | 28.6 | Very low | 33.8 | Very low | 187 Ų | 187 | 159.2 Ų | 159.2 | 81% | 0.813 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 142 | -170.2 | -65 | 173.2 | 177.1 | 176.4 | 0 | 111.1 | V7 | V7-K9 HydrophobicContact CG1-CG 4.18Š|
| 10 | P | 28.6 | Very low | 33.8 | Very low | 110 Ų | 110 | 155.6 Ų | 155.6 | 71% | 0.714 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 134.8 | 169.4 | 28.4 | -30.8 | 0 | 0 | 0 | 109.9 | V12 | P10-V12 PolarHBondContact O-N 3.38Å; P10-V12 VanDerWaalsContact O-N 3.12Å |
| 11 | C | 28.4 | Very low | 34 | Very low | 121 Ų | 121 | 156.6 Ų | 156.6 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -68.7 | 106 | 172.4 | -167.5 | 0 | 0 | 0 | 0 | 108.8 | S13 | C11-S13 PolarHBondContact O-N 3.2Š| ||
| 12 | V | 39 | Very low | 33.9 | Very low | 135 Ų | 135 | 153.1 Ų | 153.1 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -90.1 | 90.5 | 169.7 | 177.6 | 0 | 0 | 0 | 0 | 107.8 | P10 | P10-V12 PolarHBondContact O-N 3.38Å; P10-V12 VanDerWaalsContact O-N 3.12Å | ||
| 13 | S | 34.3 | Very low | 33.5 | Very low | 90 Ų | 90 | 152.8 Ų | 152.8 | 63% | 0.629 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -149.1 | 91.9 | 149.6 | 61.3 | 0 | 0 | 0 | 0 | 106.9 | C11 C15 | C11-S13 PolarHBondContact O-N 3.2Å; S13-C15 PolarHBondContact O-N 3.43Å |
| 14 | T | 34.5 | Very low | 33.4 | Very low | 121 Ų | 121 | 150.6 Ų | 150.6 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | trans | -6.8 | 90.1 | 163.6 | 35.7 | 0 | 0 | 0 | 0 | 116 | K16 | T14-K16 PolarHBondContact O-N 3.3Š| ||
| 15 | C | 37 | Very low | 34.1 | Very low | 133 Ų | 133 | 154.4 Ų | 154.4 | 90% | 0.899 | 80% | 0.798 | S | S | * | * | trans | -70.4 | 102.4 | 147.1 | -175.2 | 0 | 0 | 0 | 0 | 106.7 | S13 | S13-C15 PolarHBondContact O-N 3.43Š| ||
| 16 | K | 36 | Very low | 34.1 | Very low | 179 Ų | 179 | 156.9 Ų | 156.9 | 78% | 0.778 | 81% | 0.812 | S | S | * | * | trans | -121.4 | 101.7 | 170.2 | -88.2 | -171.4 | 176.8 | -179.4 | 0 | 110.3 | T14 | T14-K16 PolarHBondContact O-N 3.3Š| ||
| 17 | R | 33.9 | Very low | 34.2 | Very low | 221 Ų | 221 | 160 Ų | 160 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | trans | 77.6 | 115 | 150.2 | -71.6 | -179.7 | -176.8 | 171 | -0.8 | 120.2 | ||||
| 18 | N | 30.4 | Very low | 34.1 | Very low | 147 Ų | 147 | 158.4 Ų | 158.4 | 79% | 0.786 | 82% | 0.816 | S | S | * | * | trans | -56.4 | 135.6 | 158.5 | -133.2 | 9.8 | 0 | 0 | 0 | 110.3 | S20 | N18-S20 VanDerWaalsContact C-N 3.29Å; N18-S20 PolarHBondContact O-N 3.28Å | ||
| 19 | W | 33.7 | Very low | 33.9 | Very low | 262 Ų | 262 | 156.8 Ų | 156.8 | 99% | 0.992 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -84.6 | 15.2 | -175.3 | -93 | 77.6 | 0 | 0 | 0 | 114.8 | ||
| 20 | S | 34.3 | Very low | 33.8 | Very low | 86 Ų | 86 | 155.2 Ų | 155.2 | 60% | 0.601 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -112.1 | 9.2 | -166 | 49.6 | 0 | 0 | 0 | 0 | 116.2 | N18 | N18-S20 VanDerWaalsContact C-N 3.29Å; N18-S20 PolarHBondContact O-N 3.28Å |
| 21 | E | 38.5 | Very low | 33.7 | Very low | 178 Ų | 178 | 160.2 Ų | 160.2 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | trans | -147.8 | 93.6 | 177.5 | -63.6 | -173.1 | 155.4 | 0 | 0 | 111.5 | ||||
| 22 | L | 33.6 | Very low | 33.7 | Very low | 166 Ų | 166 | 159.9 Ų | 159.9 | 87% | 0.869 | 81% | 0.811 | S | S | * | * | trans | -159.7 | 145.2 | 155.9 | -96.1 | 159.7 | 0 | 0 | 0 | 109.9 | ||||
| 23 | P | 34.7 | Very low | 33.3 | Very low | 119 Ų | 119 | 159.1 Ų | 159.1 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | -86.4 | 156.7 | -156.3 | -6.5 | 25.6 | 0 | 0 | 0 | 116.1 | E25 | P23-E25 PolarHBondContact O-N 3.41Š| ||
| 24 | D | 36.4 | Very low | 33 | Very low | 161 Ų | 161 | 160.6 Ų | 160.6 | 86% | 0.861 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -71.3 | 87.9 | 173.3 | -77.1 | -65.2 | 0 | 0 | 0 | 112.9 | ||
| 25 | E | 43.3 | Very low | 32.8 | Very low | 183 Ų | 183 | 160.5 Ų | 160.5 | 86% | 0.855 | 82% | 0.818 | S | S | * | * | trans | -164 | 70.2 | 162.6 | -126.9 | 179.6 | 152.4 | 0 | 0 | 112.5 | P23 | P23-E25 PolarHBondContact O-N 3.41Š| ||
| 26 | E | 33.2 | Very low | 32.4 | Very low | 202 Ų | 202 | 162.1 Ų | 162.1 | 94% | 0.944 | 82% | 0.817 | S | S | * | * | trans | -158.5 | 60 | 149.8 | -81.1 | -144.9 | 131.5 | 0 | 0 | 109.1 | G28 | E26-G28 PolarHBondContact O-N 3.06Š| ||
| 27 | R | 36.3 | Very low | 32 | Very low | 242 Ų | 242 | 157.3 Ų | 157.3 | 91% | 0.913 | 82% | 0.818 | S | S | * | * | trans | -83.8 | 93 | 160.7 | -170.1 | -174.8 | -61.4 | -125.1 | 0.6 | 106.7 | ||||
| 28 | G | 27.7 | Very low | 31.7 | Very low | 73 Ų | 73 | 156.7 Ų | 156.7 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | trans | -124.7 | 106.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111 | E26 | E26-G28 PolarHBondContact O-N 3.06Š| ||
| 29 | E | 28.6 | Very low | 31.5 | Very low | 176 Ų | 176 | 155.6 Ų | 155.6 | 82% | 0.822 | 82% | 0.824 | S | S | * | * | trans | -55.8 | 160.4 | 168.7 | -60 | 174.9 | 150.2 | 0 | 0 | 112.2 | ||||
| 30 | I | 27.5 | Very low | 31.3 | Very low | 154 Ų | 154 | 148.3 Ų | 148.3 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | 156.6 | 116.1 | 125.1 | -75.8 | 155.5 | 0 | 0 | 0 | 112.8 | |||||
| 31 | Y | 26.1 | Very low | 31.2 | Very low | 216 Ų | 216 | 149.6 Ų | 149.6 | 85% | 0.847 | 82% | 0.817 | S | S | * | * | trans | 67.3 | 122.2 | 143.6 | -96.5 | -109.2 | 0 | 0 | 0 | 124.9 | ||||
| 32 | V | 28.1 | Very low | 30.7 | Very low | 113 Ų | 113 | 149.7 Ų | 149.7 | 69% | 0.685 | 82% | 0.818 | S | S | * | * | trans | -95.1 | 147.3 | 154 | -164.9 | 0 | 0 | 0 | 0 | 108.4 | V34 | V32-V34 HydrophobicContact CG1-CG2 4.24Š| ||
| 33 | P | 31 | Very low | 30.5 | Very low | 119 Ų | 119 | 146.4 Ų | 146.4 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | -111.9 | 114 | 148.5 | 5.7 | 14.2 | 0 | 0 | 0 | 110.8 | ||||
| 34 | V | 27.6 | Very low | 30.1 | Very low | 121 Ų | 121 | 150.7 Ų | 150.7 | 73% | 0.733 | 81% | 0.808 | S | S | * | * | trans | -83.9 | 122.5 | 156.9 | 172.1 | 0 | 0 | 0 | 0 | 106.6 | V32 | V32-V34 HydrophobicContact CG1-CG2 4.24Š| ||
| 35 | S | 31.5 | Very low | 29.8 | Very low | 119 Ų | 119 | 154.6 Ų | 154.6 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | trans | -133.9 | 117.4 | 162.9 | -67.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 36 | L | 28.8 | Very low | 29.3 | Very low | 167 Ų | 167 | 153.7 Ų | 153.7 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | -65.3 | 149.6 | 176.1 | -71.5 | 153.1 | 0 | 0 | 0 | 112 | ||||
| 37 | G | 27.2 | Very low | 29.2 | Very low | 79 Ų | 79 | 150.2 Ų | 150.2 | 81% | 0.814 | 80% | 0.801 | S | S | * | * | trans | -174.1 | 81.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 38 | F | 27.3 | Very low | 28.9 | Very low | 208 Ų | 208 | 146.6 Ų | 146.6 | 91% | 0.912 | 80% | 0.795 | S | S | * | * | trans | -88.2 | 140.9 | 166.1 | -103.5 | -96.8 | 0 | 0 | 0 | 109.9 | ||||
| 39 | C | 25.6 | Very low | 29.4 | Very low | 123 Ų | 123 | 148.2 Ų | 148.2 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | trans | -164.6 | 161.9 | 148.2 | -122.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 40 | P | 30.3 | Very low | 29.4 | Very low | 109 Ų | 109 | 145.7 Ų | 145.7 | 71% | 0.708 | 79% | 0.794 | S | S | * | * | -114.4 | 177.4 | -123.7 | 13.8 | 12.3 | 0 | 0 | 0 | 113.4 | |||||
| 41 | P | 31.4 | Very low | 29.5 | Very low | 113 Ų | 113 | 145 Ų | 145 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | -89.1 | 140.5 | -179.1 | 35.4 | -30.8 | 0 | 0 | 0 | 112.5 | ||||
| 42 | Q | 29.1 | Very low | 29.6 | Very low | 181 Ų | 181 | 139.5 Ų | 139.5 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | -153.6 | 162.9 | 167.3 | -72.7 | -64.6 | -64.4 | 0 | 0 | 108.4 | ||||
| 43 | P | 29 | Very low | 29.6 | Very low | 96 Ų | 96 | 142.6 Ų | 142.6 | 62% | 0.623 | 80% | 0.803 | S | S | * | * | -117.9 | 167 | -81.9 | 19.3 | 4 | 0 | 0 | 0 | 112.1 | |||||
| 44 | Y | 27.4 | Very low | 30.1 | Very low | 210 Ų | 210 | 142.1 Ų | 142.1 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | trans | -53.8 | 143.5 | 170.9 | 52.7 | -84.9 | 0 | 0 | 0 | 112.9 | ||||
| 45 | R | 28.3 | Very low | 30.2 | Very low | 242 Ų | 242 | 141.9 Ų | 141.9 | 91% | 0.913 | 80% | 0.801 | S | S | * | * | trans | -138.9 | 110.9 | 164.2 | -134.3 | -173.5 | -160 | 177.6 | 5.8 | 108.5 | ||||
| 46 | E | 32.6 | Very low | 30 | Very low | 165 Ų | 165 | 141.3 Ų | 141.3 | 77% | 0.771 | 80% | 0.797 | S | S | * | * | trans | -76.1 | 151.8 | 169.3 | -68.2 | 177.9 | 138.4 | 0 | 0 | 110.6 | ||||
| 47 | P | 32.2 | Very low | 29.9 | Very low | 128 Ų | 128 | 139.5 Ų | 139.5 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | trans | -127.4 | 130.6 | 137.9 | 8.3 | 13 | 0 | 0 | 0 | 113 | ||||
| 48 | E | 30.5 | Very low | 30.3 | Very low | 166 Ų | 166 | 141.6 Ų | 141.6 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | -67 | 172.3 | 170.6 | -83.2 | -78.3 | 129.6 | 0 | 0 | 113.5 | ||||
| 49 | P | 38 | Very low | 30.3 | Very low | 108 Ų | 108 | 139.9 Ų | 139.9 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | trans | -97.9 | 167.1 | -141.2 | 38.6 | -37.2 | 0 | 0 | 0 | 115.1 | ||||
| 50 | S | 28.3 | Very low | 30.2 | Very low | 123 Ų | 123 | 138.2 Ų | 138.2 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | -137.6 | 139.9 | 161 | 73.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 51 | V | 29.9 | Very low | 30 | Very low | 139 Ų | 139 | 141.1 Ų | 141.1 | 84% | 0.842 | 80% | 0.799 | S | S | * | * | trans | -92 | 138.8 | -165.9 | 178 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 52 | A | 28.2 | Very low | 30.2 | Very low | 100 Ų | 100 | 143.3 Ų | 143.3 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | trans | -163.1 | 117.3 | 152.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 53 | E | 27.2 | Very low | 30.1 | Very low | 178 Ų | 178 | 142.2 Ų | 142.2 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | -94.2 | -171.7 | 160.4 | -61 | -164.1 | 118.4 | 0 | 0 | 110.6 | ||||
| 54 | P | 41 | Very low | 30.4 | Very low | 109 Ų | 109 | 143.5 Ų | 143.5 | 71% | 0.708 | 81% | 0.813 | S | S | * | * | -117.8 | -170.6 | -90.6 | 37 | -17.4 | 0 | 0 | 0 | 112 | |||||
| 55 | P | 31.4 | Very low | 30.5 | Very low | 116 Ų | 116 | 139.5 Ų | 139.5 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | -152.8 | 149.2 | 99.8 | 35.2 | -15 | 0 | 0 | 0 | 118.1 | |||||
| 56 | S | 25.8 | Very low | 30.6 | Very low | 108 Ų | 108 | 138.9 Ų | 138.9 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | 43.4 | 117.9 | 135.4 | -41 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 57 | C | 27.5 | Very low | 30.4 | Very low | 128 Ų | 128 | 139.7 Ų | 139.7 | 87% | 0.865 | 81% | 0.812 | S | S | * | * | trans | 33.8 | 155.4 | 138.2 | -56.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 58 | P | 34.7 | Very low | 30.3 | Very low | 124 Ų | 124 | 137.4 Ų | 137.4 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | cis | -147.6 | -174.7 | 30 | 38.9 | -14.2 | 0 | 0 | 0 | 117.7 | ||||
| 59 | L | 27.2 | Very low | 30.6 | Very low | 172 Ų | 172 | 135.4 Ų | 135.4 | 90% | 0.901 | 80% | 0.804 | S | S | * | * | trans | -28.3 | 140.6 | 173.7 | -65.7 | 154.7 | 0 | 0 | 0 | 119.2 | ||||
| 60 | A | 24.9 | Very low | 30.1 | Very low | 88 Ų | 88 | 138.6 Ų | 138.6 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | 161.1 | 143.3 | 111.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 61 | L | 25.7 | Very low | 30.3 | Very low | 169 Ų | 169 | 139 Ų | 139 | 89% | 0.885 | 81% | 0.805 | S | S | * | * | trans | 88.2 | 122.3 | 147.6 | -71.8 | 155.5 | 0 | 0 | 0 | 122 | ||||
| 62 | N | 35 | Very low | 30.3 | Very low | 160 Ų | 160 | 138 Ų | 138 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | trans | -43.5 | 132.5 | 162.3 | -85.4 | -36.7 | 0 | 0 | 0 | 113.6 | ||||
| 63 | M | 27.1 | Very low | 30.2 | Very low | 158 Ų | 158 | 137.3 Ų | 137.3 | 78% | 0.778 | 79% | 0.794 | S | S | * | * | trans | -145.3 | 118.3 | 148.3 | -76 | -155.4 | 76.7 | 0 | 0 | 112 | L65 | M63-L65 HydrophobicContact CE-CD1 4.28Å; M63-L65 PolarHBondContact O-N 3.42Å | ||
| 64 | S | 35.3 | Very low | 30.5 | Very low | 122 Ų | 122 | 135 Ų | 135 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | trans | -61.5 | 108.5 | 158 | -75.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 65 | L | 30.2 | Very low | 29.9 | Very low | 126 Ų | 126 | 132.5 Ų | 132.5 | 66% | 0.66 | 79% | 0.788 | S | S | * | * | trans | -148.3 | 116.5 | 163.3 | -72.4 | 177.3 | 0 | 0 | 0 | 109 | M63 | M63-L65 HydrophobicContact CE-CD1 4.28Å; M63-L65 PolarHBondContact O-N 3.42Å | ||
| 66 | R | 30.6 | Very low | 29.9 | Very low | 230 Ų | 230 | 133.3 Ų | 133.3 | 87% | 0.868 | 79% | 0.794 | S | S | * | * | 53.5 | 112.1 | 105.6 | -74.1 | -176.6 | 175.4 | -146 | 0.4 | 113.2 | S68 | R66-S68 PolarHBondContact O-N 3.42Š| |||
| 67 | D | 27.9 | Very low | 30 | Very low | 182 Ų | 182 | 134.1 Ų | 134.1 | 97% | 0.973 | 80% | 0.798 | S | S | * | * | trans | -36.2 | 105.6 | 168.8 | -84.3 | -74.9 | 0 | 0 | 0 | 111.8 | ||||
| 68 | S | 29.4 | Very low | 30.2 | Very low | 79 Ų | 79 | 135 Ų | 135 | 55% | 0.552 | 80% | 0.799 | S | S | * | * | trans | -109.6 | 123.1 | 162.1 | -174.4 | 0 | 0 | 0 | 0 | 107.2 | R66 Y70 | R66-S68 PolarHBondContact O-N 3.42Å; S68-Y70 VanDerWaalsContact O-CD1 3.28Å; S68-Y70 WeakPolarHBondContact O-CD1 3.42Å; S68-Y70 WeakPolarHBondContact O-CE1 3.36Å; S68-Y70 PolarHBondContact O-N 3.34Å | ||
| 69 | S | 37.6 | Very low | 29.9 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | trans | -63.5 | 97.3 | 167.4 | 49.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 70 | Y | 28.2 | Very low | 29.9 | Very low | 174 Ų | 174 | 131.7 Ų | 131.7 | 68% | 0.682 | 79% | 0.793 | S | S | * | * | trans | -128.7 | 130.2 | 159.6 | 48.2 | -93.3 | 0 | 0 | 0 | 109 | S68 V72 | S68-Y70 VanDerWaalsContact O-CD1 3.28Å; S68-Y70 WeakPolarHBondContact O-CD1 3.42Å; S68-Y70 WeakPolarHBondContact O-CE1 3.36Å; S68-Y70 PolarHBondContact O-N 3.34Å; Y70-V72 HydrophobicContact CD2-CG2 3.78Å; Y70-V72 HydrophobicContact CE2-CG2 3.96Å; Y70-V72 PolarHBondContact O-N 3.48Å | ||
| 71 | S | 31.6 | Very low | 30.1 | Very low | 131 Ų | 131 | 135.5 Ų | 135.5 | 92% | 0.916 | 80% | 0.796 | S | S | * | * | trans | -68.2 | 115 | 173.5 | -58.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 72 | V | 29.5 | Very low | 30.4 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 72% | 0.715 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -100.2 | 121.7 | 161 | -176 | 0 | 0 | 0 | 0 | 106.3 | Y70 | Y70-V72 HydrophobicContact CD2-CG2 3.78Å; Y70-V72 HydrophobicContact CE2-CG2 3.96Å; Y70-V72 PolarHBondContact O-N 3.48Å |
| 73 | A | 26.8 | Very low | 30.2 | Very low | 86 Ų | 86 | 132.6 Ų | 132.6 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 140.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | G75 | A73-G75 PolarHBondContact O-N 3.35Š|
| 74 | P | 32.9 | Very low | 30.5 | Very low | 130 Ų | 130 | 130 Ų | 130 | 84% | 0.844 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 118.2 | 170.2 | 30.3 | -27.7 | 0 | 0 | 0 | 109.7 | ||
| 75 | G | 28.4 | Very low | 30.3 | Very low | 56 Ų | 56 | 133 Ų | 133 | 58% | 0.577 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 161.9 | 154.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | A73 C77 | A73-G75 PolarHBondContact O-N 3.35Å; G75-C77 PolarHBondContact O-N 2.87Å |
| 76 | P | 30.7 | Very low | 30.5 | Very low | 134 Ų | 134 | 134.3 Ų | 134.3 | 87% | 0.87 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 116.3 | -159.2 | 30.1 | -33.3 | 0 | 0 | 0 | 111.8 | ||
| 77 | C | 28.7 | Very low | 30.6 | Very low | 124 Ų | 124 | 132.2 Ų | 132.2 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | trans | -83.5 | 113.9 | 158.5 | -73.9 | 0 | 0 | 0 | 0 | 107.9 | G75 V79 | G75-C77 PolarHBondContact O-N 2.87Å; C77-V79 PolarHBondContact O-N 3.38Å | ||
| 78 | V | 30.8 | Very low | 30.8 | Very low | 146 Ų | 146 | 125.8 Ų | 125.8 | 89% | 0.885 | 77% | 0.772 | S | S | * | * | trans | -41.8 | 129.7 | 171.8 | -88.8 | 0 | 0 | 0 | 0 | 112.1 | A80 | V78-A80 PolarHBondContact O-N 3.11Š| ||
| 79 | V | 28.8 | Very low | 30.8 | Very low | 128 Ų | 128 | 128 Ų | 128 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | -70.3 | 111.2 | 179 | -146.6 | 0 | 0 | 0 | 0 | 108.1 | C77 | C77-V79 PolarHBondContact O-N 3.38Š| ||
| 80 | A | 28.1 | Very low | 30.7 | Very low | 99 Ų | 99 | 130.6 Ų | 130.6 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -89.1 | 110.5 | 157.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | V78 | V78-A80 PolarHBondContact O-N 3.11Š| ||
| 81 | Q | 28 | Very low | 30.7 | Very low | 168 Ų | 168 | 128.3 Ų | 128.3 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -57.7 | 143.9 | 177.7 | -139.7 | 81.9 | -5.6 | 0 | 0 | 111.1 | ||||
| 82 | L | 32.8 | Very low | 30.8 | Very low | 142 Ų | 142 | 129.5 Ų | 129.5 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | trans | -52.6 | 174.9 | -177.1 | -64.4 | 156.8 | 0 | 0 | 0 | 115.2 | ||||
| 83 | P | 30.1 | Very low | 31.1 | Very low | 126 Ų | 126 | 129.8 Ų | 129.8 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | -129.7 | 147.2 | 93.4 | 22.6 | -5.3 | 0 | 0 | 0 | 114.7 | |||||
| 84 | S | 34.7 | Very low | 31.4 | Very low | 103 Ų | 103 | 134.1 Ų | 134.1 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | trans | -63.5 | 116.1 | 174.4 | -34.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 85 | E | 30.2 | Very low | 31.5 | Very low | 185 Ų | 185 | 132.4 Ų | 132.4 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | trans | -134.8 | 136.8 | 159.3 | -68.5 | -156.7 | 135.5 | 0 | 0 | 111.3 | ||||
| 86 | D | 35.4 | Very low | 31.8 | Very low | 155 Ų | 155 | 141.1 Ų | 141.1 | 83% | 0.829 | 81% | 0.805 | S | S | * | * | trans | -52.9 | 121.7 | -177.4 | -165.1 | -95.3 | 0 | 0 | 0 | 112.2 | ||||
| 87 | M | 32.3 | Very low | 32 | Very low | 186 Ų | 186 | 142.1 Ų | 142.1 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | trans | -113.6 | 89.7 | 172.3 | -78.6 | -71.2 | -157.9 | 0 | 0 | 109.2 | ||||
| 88 | G | 32.6 | Very low | 32.5 | Very low | 47 Ų | 47 | 144 Ų | 144 | 49% | 0.485 | 80% | 0.799 | S | S | . | * | trans | -58.6 | -176.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | L90 | G88-L90 PolarHBondContact O-N 3.42Š| ||
| 89 | P | 29.7 | Very low | 32.6 | Very low | 126 Ų | 126 | 140.1 Ų | 140.1 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -63.4 | 131.4 | -167.8 | 24.2 | -31.7 | 0 | 0 | 0 | 112.1 | T91 | P89-T91 PolarHBondContact O-N 3.08Š|
| 90 | L | 33.5 | Very low | 32.7 | Very low | 179 Ų | 179 | 141.5 Ų | 141.5 | 94% | 0.937 | 78% | 0.784 | S | S | * | * | trans | -41.6 | 97.2 | 172.3 | -74.8 | 145.5 | 0 | 0 | 0 | 111.7 | G88 | G88-L90 PolarHBondContact O-N 3.42Š| ||
| 91 | T | 29 | Very low | 32.9 | Very low | 125 Ų | 125 | 144.3 Ų | 144.3 | 77% | 0.767 | 78% | 0.784 | S | S | * | * | trans | -76.9 | 123.4 | 163.1 | 50.3 | 0 | 0 | 0 | 0 | 108.5 | P89 P93 | P89-T91 PolarHBondContact O-N 3.08Å; T91-P93 VanDerWaalsContact O-CD 3.26Å; T91-P93 WeakPolarHBondContact O-CD 3.45Å | ||
| 92 | D | 33.5 | Very low | 33.3 | Very low | 156 Ų | 156 | 146.7 Ų | 146.7 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | trans | -50.3 | 121.3 | 170.7 | -89.5 | -59 | 0 | 0 | 0 | 111.5 | Q94 | D92-Q94 PolarHBondContact O-N 3.27Š| ||
| 93 | P | 35.8 | Very low | 33.2 | Very low | 124 Ų | 124 | 145.2 Ų | 145.2 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | trans | -78 | 107.9 | 160.8 | -11.9 | 29.8 | 0 | 0 | 0 | 108.7 | T91 | T91-P93 VanDerWaalsContact O-CD 3.26Å; T91-P93 WeakPolarHBondContact O-CD 3.45Å | ||
| 94 | Q | 33 | Very low | 33.3 | Very low | 177 Ų | 177 | 148.8 Ų | 148.8 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | trans | -52 | 137.5 | 171.8 | -83.5 | 179.6 | -39.2 | 0 | 0 | 113 | D92 | D92-Q94 PolarHBondContact O-N 3.27Š| ||
| 95 | S | 36.3 | Very low | 33.2 | Very low | 95 Ų | 95 | 148.8 Ų | 148.8 | 66% | 0.664 | 78% | 0.776 | S | S | * | * | trans | 51.1 | 100.4 | 140.2 | 61 | 0 | 0 | 0 | 0 | 119 | ||||
| 96 | R | 33.2 | Very low | 33.4 | Very low | 239 Ų | 239 | 149.3 Ų | 149.3 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | trans | -123.3 | 100.5 | 135.5 | -78.8 | -178.8 | 121.1 | 165.8 | -0.6 | 108.7 | H98 | R96-H98 PolarHBondContact O-N 3.11Å; R96-H98 VanDerWaalsContact O-N 3.12Å | ||
| 97 | D | 34.7 | Very low | 33.9 | Very low | 154 Ų | 154 | 145.5 Ų | 145.5 | 82% | 0.824 | 76% | 0.757 | S | S | * | * | trans | -58.1 | 105.3 | 167.6 | -115.1 | -67.9 | 0 | 0 | 0 | 108.8 | ||||
| 98 | H | 40.9 | Very low | 34.4 | Very low | 165 Ų | 165 | 142.6 Ų | 142.6 | 76% | 0.764 | 75% | 0.751 | S | S | * | * | trans | -113.4 | 106.1 | 157.8 | -102 | -84.3 | 0 | 0 | 0 | 107.2 | R96 F100 | R96-H98 PolarHBondContact O-N 3.11Å; R96-H98 VanDerWaalsContact O-N 3.12Å; H98-F100 PolarHBondContact O-N 3.44Å | ||
| 99 | G | 31.9 | Very low | 35.1 | Very low | 64 Ų | 64 | 147.7 Ų | 147.7 | 66% | 0.66 | 77% | 0.766 | S | S | * | * | trans | -35.5 | 119.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L101 | G99-L101 PolarHBondContact O-N 3.23Š| ||
| 100 | F | 31.9 | Very low | 35.7 | Very low | 157 Ų | 157 | 144.2 Ų | 144.2 | 69% | 0.689 | 75% | 0.752 | S | S | * | * | trans | -68.3 | 95.8 | 165 | -171.3 | -101.3 | 0 | 0 | 0 | 107.3 | H98 R102 | H98-F100 PolarHBondContact O-N 3.44Å; F100-R102 VanDerWaalsContact C-N 3.28Å; F100-R102 HydrophobicContact CD1-CB 4.46Å; F100-R102 HydrophobicContact CD1-CG 3.5Å; F100-R102 VanDerWaalsContact CD1-CG 3.5Å; F100-R102 HydrophobicContact CE1-CG 3.68Å; F100-R102 PolarHBondContact O-N 3.18Å | ||
| 101 | L | 32.6 | Very low | 36.4 | Very low | 157 Ų | 157 | 143.3 Ų | 143.3 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | trans | -59.4 | 99.7 | 163.9 | -72.6 | 172.5 | 0 | 0 | 0 | 106.9 | G99 T103 | G99-L101 PolarHBondContact O-N 3.23Å; L101-T103 PolarHBondContact O-N 2.75Å | ||
| 102 | R | 35.3 | Very low | 37 | Very low | 218 Ų | 218 | 141.2 Ų | 141.2 | 82% | 0.823 | 74% | 0.739 | S | S | * | * | trans | -67.5 | 78.5 | 164.7 | -72.8 | -168.9 | 176.4 | -176 | 1.5 | 107 | F100 K104 | F100-R102 VanDerWaalsContact C-N 3.28Å; F100-R102 HydrophobicContact CD1-CB 4.46Å; F100-R102 HydrophobicContact CD1-CG 3.5Å; F100-R102 VanDerWaalsContact CD1-CG 3.5Å; F100-R102 HydrophobicContact CE1-CG 3.68Å; F100-R102 PolarHBondContact O-N 3.18Å; R102-K104 PolarHBondContact O-N 2.72Å | ||
| 103 | T | 29.9 | Very low | 37.8 | Very low | 112 Ų | 112 | 140 Ų | 140 | 69% | 0.687 | 74% | 0.74 | S | S | * | * | trans | -64.2 | 109 | 161.3 | -50.1 | 0 | 0 | 0 | 0 | 105.6 | L101 M105 | L101-T103 PolarHBondContact O-N 2.75Å; T103-M105 VanDerWaalsContact C-N 3.26Å; T103-M105 PolarHBondContact O-N 2.73Å | ||
| 104 | K | 32.4 | Very low | 38.6 | Very low | 201 Ų | 201 | 139.2 Ų | 139.2 | 87% | 0.874 | 74% | 0.737 | S | S | * | * | trans | -58.4 | 95.4 | 169 | -78.2 | -178 | 177.7 | 176.4 | 0 | 106.7 | R102 K106 | R102-K104 PolarHBondContact O-N 2.72Å; K104-K106 PolarHBondContact O-N 2.88Å; K104-K106 VanDerWaalsContact O-N 3.08Å | ||
| 105 | M | 32.4 | Very low | 39.9 | Very low | 103 Ų | 103 | 134.3 Ų | 134.3 | 51% | 0.507 | 73% | 0.734 | S | S | . | * | trans | -71.5 | 105.4 | 177.2 | -156.5 | 99.2 | 91.3 | 0 | 0 | 106.9 | T103 V107 | T103-M105 VanDerWaalsContact C-N 3.26Å; T103-M105 PolarHBondContact O-N 2.73Å; M105-V107 PolarHBondContact O-N 3.29Å | ||
| 106 | K | 34.8 | Very low | 41.4 | Very low | 196 Ų | 196 | 134.1 Ų | 134.1 | 85% | 0.852 | 73% | 0.726 | S | S | * | * | trans | -72.2 | 98.1 | 173 | -170 | 169.7 | -176.9 | -178.2 | 0 | 107.2 | K104 T108 | K104-K106 PolarHBondContact O-N 2.88Å; K104-K106 VanDerWaalsContact O-N 3.08Å; K106-T108 PolarHBondContact O-N 2.99Å | ||
| 107 | V | 46.6 | Very low | 43.5 | Very low | 74 Ų | 74 | 127.3 Ų | 127.3 | 45% | 0.448 | 71% | 0.706 | S | S | . | * | trans | -76.9 | 113.3 | 173.2 | -176.5 | 0 | 0 | 0 | 0 | 106.5 | M105 L109 | M105-V107 PolarHBondContact O-N 3.29Å; V107-L109 PolarHBondContact O-N 3.11Å; V107-L109 VanDerWaalsContact O-N 3.12Å | ||
| 108 | T | 42 | Very low | 45.9 | Very low | 126 Ų | 126 | 123.2 Ų | 123.2 | 77% | 0.773 | 68% | 0.681 | S | S | * | * | trans | -71.8 | 100.1 | 164.7 | 49.1 | 0 | 0 | 0 | 0 | 107 | K106 G110 | K106-T108 PolarHBondContact O-N 2.99Å; T108-G110 PolarHBondContact O-N 3.31Å; T108-G110 VanDerWaalsContact O-N 3.15Å | ||
| 109 | L | 47 | Very low | 48 | Very low | 154 Ų | 154 | 119.2 Ų | 119.2 | 81% | 0.806 | 67% | 0.669 | S | S | * | * | trans | -68.1 | 103.1 | 161.6 | -70.8 | 163.4 | 0 | 0 | 0 | 105.5 | V107 | V107-L109 PolarHBondContact O-N 3.11Å; V107-L109 VanDerWaalsContact O-N 3.12Å | ||
| 110 | G | 42.7 | Very low | 50.5 | Low | 52 Ų | 52 | 116.1 Ų | 116.1 | 54% | 0.536 | 64% | 0.637 | S | S | . | * | trans | -86.3 | 119.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | T108 S112 | T108-G110 PolarHBondContact O-N 3.31Å; T108-G110 VanDerWaalsContact O-N 3.15Å; G110-S112 PolarHBondContact O-N 3.42Å | ||
| 111 | D | 47.9 | Very low | 53 | Low | 161 Ų | 161 | 114.7 Ų | 114.7 | 86% | 0.861 | 63% | 0.632 | S | S | * | * | trans | -72.7 | 103.5 | 169 | -64.4 | -67.4 | 0 | 0 | 0 | 108.6 | ||||
| 112 | S | 41.4 | Very low | 55.5 | Low | 80 Ų | 80 | 111.4 Ų | 111.4 | 56% | 0.559 | 62% | 0.615 | S | S | * | * | trans | -148.8 | 139.4 | 167 | -78 | 0 | 0 | 0 | 0 | 112.3 | G110 S114 | G110-S112 PolarHBondContact O-N 3.42Å; S112-S114 PolarHBondContact O-N 3.06Å | ||
| 113 | P | 50.8 | Low | 57.8 | Low | 131 Ų | 131 | 103.5 Ų | 103.5 | 85% | 0.851 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -89.4 | 73.7 | -170.5 | 35.6 | -32.7 | 0 | 0 | 0 | 110.7 | ||
| 114 | S | 53.7 | Low | 60.5 | Low | 108 Ų | 108 | 104.4 Ų | 104.4 | 76% | 0.755 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -161 | 54.9 | 168.4 | -59.3 | 0 | 0 | 0 | 0 | 112.9 | S112 D116 | S112-S114 PolarHBondContact O-N 3.06Å; S114-D116 PolarHBondContact O-N 3.37Å |
| 115 | G | 59.1 | Low | 62.9 | Low | 73 Ų | 73 | 100.8 Ų | 100.8 | 75% | 0.753 | 57% | 0.573 | S | S | * | * | trans | 52.4 | 64.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | L117 | G115-L117 PolarHBondContact O-N 3.22Š| ||
| 116 | D | 67.3 | Low | 65.5 | Low | 92 Ų | 92 | 98.4 Ų | 98.4 | 49% | 0.492 | 57% | 0.57 | S | S | . | * | trans | -59.8 | 128 | -167.2 | -59.3 | -44.5 | 0 | 0 | 0 | 114 | S114 | S114-D116 PolarHBondContact O-N 3.37Š| ||
| 117 | L | 79 | Confident | 67.8 | Low | 95 Ų | 95 | 91 Ų | 91 | 50% | 0.497 | 54% | 0.538 | S | S | . | . | trans | -85.9 | 141.2 | 171.2 | -60.6 | 175.3 | 0 | 0 | 0 | 110.2 | G115 T119 A126 F127 T128 | G115-L117 PolarHBondContact O-N 3.22Å; L117-T119 PolarHBondContact O-N 3.49Å; L117-A126 HydrophobicContact CB-CB 3.89Å; L117-A126 HydrophobicContact CD1-CB 3.78Å; L117-A126 HydrophobicContact CG-CB 4.48Å; L117-F127 CarbonylContact C-O 2.8Å; L117-F127 WeakPolarHBondContact CA-O 3.48Å; L117-T128 HydrophobicContact CD2-CG2 3.74Å | ||
| 118 | F | 83.8 | Confident | 69.6 | Low | 68 Ų | 68 | 91.4 Ų | 91.4 | 30% | 0.298 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 110.8 | 173.7 | -63.6 | -87.2 | 0 | 0 | 0 | 110.1 | A126 F127 Y129 Q130 L133 | F118-A126 CarbonylContact O-C 3.55Å; F118-F127 HydrophobicContact CB-CB 4.46Å; F118-F127 PolarHBondContact N-O 3.14Å; F118-F127 WeakPolarHBondContact O-CD2 3.43Å; F118-F127 PolarHBondContact O-N 3.36Å; F118-Y129 VanDerWaalsContact CD2-C 3.42Å; F118-Q130 HydrophobicContact CD1-CB 3.86Å; F118-Q130 HydrophobicContact CD1-CG 4.06Å; F118-Q130 HydrophobicContact CD2-CB 4.31Å; F118-Q130 HydrophobicContact CE1-CB 3.66Å; F118-Q130 HydrophobicContact CE1-CG 4Å; F118-Q130 HydrophobicContact CE2-CB 4.13Å; F118-Q130 VanDerWaalsContact CE2-N 3.33Å; F118-Q130 HydrophobicContact CG-CB 4.18Å; F118-Q130 HydrophobicContact CZ-CB 3.81Å; F118-L133 HydrophobicContact CB-CB 4.01Å; F118-L133 HydrophobicContact CB-CD2 3.81Å |
| 119 | T | 85.3 | Confident | 71.4 | Confident | 81 Ų | 81 | 91.6 Ų | 91.6 | 50% | 0.497 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 143.3 | -177.9 | 55.2 | 0 | 0 | 0 | 0 | 112.4 | L117 K125 A126 L133 | L117-T119 PolarHBondContact O-N 3.49Å; T119-K125 CarbonylContact C-O 3.58Å; T119-K125 WeakPolarHBondContact CA-O 3.49Å; T119-A126 HydrophobicContact CG2-CB 4.09Å; T119-L133 WeakPolarHBondContact O-CD2 3.39Å |
| 120 | C | 85.3 | Confident | 73 | Confident | 0 Ų | 0 | 88.6 Ų | 88.6 | 0% | 0 | 51% | 0.509 | C | S | . | . | trans | -84.3 | 116.8 | 172.7 | 175.7 | 0 | 0 | 0 | 0 | 110.1 | I122 Q124 K125 F127 L133 H136 M137 H140 | C120-I122 PolarHBondContact O-N 2.98Å; C120-I122 VanDerWaalsContact O-N 3.13Å; C120-Q124 WeakPolarHBondContact O-CA 3.5Å; C120-Q124 PolarHBondContact O-N 2.8Å; C120-K125 HydrophobicContact CB-CB 4.48Å; C120-K125 WeakPolarHBondContact CB-O 3.27Å; C120-K125 PolarHBondContact N-O 2.84Å; C120-F127 HydrophobicContact CB-CE2 4.29Å; C120-L133 HydrophobicContact CB-CD1 3.67Å; C120-H136 VanDerWaalsContact SG-CD2 3.54Å; C120-H136 PolarHBondContact SG-NE2 3.45Å; C120-M137 HydrophobicContact CB-SD 4.44Å; C120-H140 PolarHBondContact SG-NE2 2.91Å | ||
| 121 | H | 84.3 | Confident | 74.7 | Confident | 126 Ų | 126 | 94.7 Ų | 94.7 | 58% | 0.583 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -16.1 | -179.6 | 69.5 | 81 | 0 | 0 | 0 | 114.3 | M137 | H121-M137 WeakPolarHBondContact NE2-CE 3.43Š|
| 122 | I | 83.8 | Confident | 76.3 | Confident | 89 Ų | 89 | 89.6 Ų | 89.6 | 46% | 0.456 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -43.5 | -178.5 | -56.9 | 179.2 | 0 | 0 | 0 | 111.5 | C120 M137 H140 | C120-I122 PolarHBondContact O-N 2.98Å; C120-I122 VanDerWaalsContact O-N 3.13Å; I122-M137 HydrophobicContact CD1-CE 3.67Å; I122-M137 HydrophobicContact CG1-CE 4.13Å; I122-H140 HydrophobicContact CD1-CB 3.65Å |
| 123 | C | 85.3 | Confident | 78.3 | Confident | 51 Ų | 51 | 86.9 Ų | 86.9 | 35% | 0.345 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.4 | 10.4 | -175.3 | 70.2 | 0 | 0 | 0 | 0 | 114.2 | K125 H136 | C123-K125 PolarHBondContact O-N 3.14Å; C123-H136 PolarHBondContact SG-CE1 3.26Å; C123-H136 PolarHBondContact SG-NE2 3.02Å |
| 124 | Q | 86.3 | Confident | 79.7 | Confident | 131 Ų | 131 | 84.2 Ų | 84.2 | 61% | 0.612 | 45% | 0.445 | S | S | * | . | trans | 55.6 | 15.8 | 177.5 | -56.4 | -60.7 | -13.5 | 0 | 0 | 115.5 | C120 A126 | C120-Q124 WeakPolarHBondContact O-CA 3.5Å; C120-Q124 PolarHBondContact O-N 2.8Å; Q124-A126 PolarHBondContact O-N 3.02Å | ||
| 125 | K | 82.9 | Confident | 80.8 | Confident | 126 Ų | 126 | 84.6 Ų | 84.6 | 55% | 0.548 | 43% | 0.43 | S | S | . | . | trans | -69 | 130.1 | 174.1 | -74 | -173.9 | -179.9 | -174.9 | 0 | 110.9 | T119 C120 C123 F127 | T119-K125 CarbonylContact C-O 3.58Å; T119-K125 WeakPolarHBondContact CA-O 3.49Å; C120-K125 HydrophobicContact CB-CB 4.48Å; C120-K125 WeakPolarHBondContact CB-O 3.27Å; C120-K125 PolarHBondContact N-O 2.84Å; C123-K125 PolarHBondContact O-N 3.14Å; K125-F127 HydrophobicContact CB-CE2 3.77Å; K125-F127 HydrophobicContact CB-CZ 3.96Å; K125-F127 WeakPolarHBondContact O-CD2 3.33Å; K125-F127 WeakPolarHBondContact O-CE2 3.34Å | ||
| 126 | A | 87.3 | Confident | 81.9 | Confident | 53 Ų | 53 | 82.5 Ų | 82.5 | 44% | 0.438 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 141.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L117 F118 T119 Q124 | L117-A126 HydrophobicContact CB-CB 3.89Å; L117-A126 HydrophobicContact CD1-CB 3.78Å; L117-A126 HydrophobicContact CG-CB 4.48Å; F118-A126 CarbonylContact O-C 3.55Å; T119-A126 HydrophobicContact CG2-CB 4.09Å; Q124-A126 PolarHBondContact O-N 3.02Å |
| 127 | F | 82.9 | Confident | 82.5 | Confident | 41 Ų | 41 | 79 Ų | 79 | 18% | 0.18 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 141.2 | -178.7 | -62.7 | -86.1 | 0 | 0 | 0 | 110.6 | L117 F118 C120 K125 Y129 M132 L133 H136 | L117-F127 CarbonylContact C-O 2.8Å; L117-F127 WeakPolarHBondContact CA-O 3.48Å; F118-F127 HydrophobicContact CB-CB 4.46Å; F118-F127 PolarHBondContact N-O 3.14Å; F118-F127 WeakPolarHBondContact O-CD2 3.43Å; F118-F127 PolarHBondContact O-N 3.36Å; C120-F127 HydrophobicContact CB-CE2 4.29Å; K125-F127 HydrophobicContact CB-CE2 3.77Å; K125-F127 HydrophobicContact CB-CZ 3.96Å; K125-F127 WeakPolarHBondContact O-CD2 3.33Å; K125-F127 WeakPolarHBondContact O-CE2 3.34Å; F127-Y129 VanDerWaalsContact C-N 3.27Å; F127-Y129 PolarHBondContact O-N 3.27Å; F127-M132 HydrophobicContact CB-CB 4.08Å; F127-M132 HydrophobicContact CD1-CB 3.85Å; F127-M132 HydrophobicContact CG-CB 4.24Å; F127-L133 HydrophobicContact CB-CB 4.32Å; F127-L133 HydrophobicContact CD2-CB 3.96Å; F127-L133 HydrophobicContact CD2-CD1 3.8Å; F127-L133 HydrophobicContact CD2-CG 4.49Å; F127-L133 HydrophobicContact CE2-CD1 3.98Å; F127-L133 HydrophobicContact CG-CB 4.3Å; F127-H136 HydrophobicContact CE1-CB 3.93Å; F127-H136 HydrophobicContact CE2-CB 3.81Å; F127-H136 AromaticContact CE2-CD2 3.53Å; F127-H136 AromaticContact CE2-CG 3.58Å; F127-H136 HydrophobicContact CZ-CB 3.39Å; F127-H136 AromaticContact CZ-CD2 3.67Å; F127-H136 AromaticContact CZ-CG 3.23Å; F127-H136 AromaticContact CZ-ND1 3.62Å |
| 128 | T | 84.5 | Confident | 82.3 | Confident | 82 Ų | 82 | 79 Ų | 79 | 50% | 0.503 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -71.4 | -20.8 | 179.6 | 51 | 0 | 0 | 0 | 0 | 113.9 | L117 | L117-T128 HydrophobicContact CD2-CG2 3.74Š|
| 129 | Y | 79.9 | Confident | 81.9 | Confident | 130 Ų | 130 | 79 Ų | 79 | 51% | 0.51 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -136.7 | 140.8 | -179.9 | -56.1 | -73.8 | 0 | 0 | 0 | 111.7 | F118 F127 R131 M132 L133 | F118-Y129 VanDerWaalsContact CD2-C 3.42Å; F127-Y129 VanDerWaalsContact C-N 3.27Å; F127-Y129 PolarHBondContact O-N 3.27Å; Y129-R131 PolarHBondContact O-N 3.43Å; Y129-M132 HydrophobicContact CD2-CE 3.81Å; Y129-M132 HydrophobicContact CD2-SD 3.95Å; Y129-M132 HydrophobicContact CE2-CE 4.33Å; Y129-M132 WeakPolarHBondContact O-CA 3.32Å; Y129-M132 WeakPolarHBondContact O-CB 3.23Å; Y129-M132 PolarHBondContact O-N 3.07Å; Y129-L133 PolarHBondContact O-N 3.29Å |
| 130 | Q | 79.6 | Confident | 81.5 | Confident | 90 Ų | 90 | 78.1 Ų | 78.1 | 42% | 0.421 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -54.6 | -38.4 | 177.2 | -166.4 | -179.4 | -0.4 | 0 | 0 | 112.9 | F118 M132 L133 N134 | F118-Q130 HydrophobicContact CD1-CB 3.86Å; F118-Q130 HydrophobicContact CD1-CG 4.06Å; F118-Q130 HydrophobicContact CD2-CB 4.31Å; F118-Q130 HydrophobicContact CE1-CB 3.66Å; F118-Q130 HydrophobicContact CE1-CG 4Å; F118-Q130 HydrophobicContact CE2-CB 4.13Å; F118-Q130 VanDerWaalsContact CE2-N 3.33Å; F118-Q130 HydrophobicContact CG-CB 4.18Å; F118-Q130 HydrophobicContact CZ-CB 3.81Å; Q130-M132 PolarHBondContact O-N 3.35Å; Q130-L133 PolarHBondContact O-N 2.95Å; Q130-N134 PolarHBondContact O-N 3.42Å |
| 131 | R | 79 | Confident | 80.6 | Confident | 180 Ų | 180 | 83.3 Ų | 83.3 | 68% | 0.679 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -58.6 | -32.6 | 175.7 | 67.9 | -179.9 | 179.3 | 151.3 | -1.3 | 113.1 | Y129 R135 | Y129-R131 PolarHBondContact O-N 3.43Å; R131-R135 WeakPolarHBondContact O-CB 3.48Å; R131-R135 PolarHBondContact O-N 2.84Å; R131-R135 VanDerWaalsContact O-N 3.08Å |
| 132 | M | 81.5 | Confident | 79.6 | Confident | 55 Ų | 55 | 83.4 Ų | 83.4 | 27% | 0.271 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -75.7 | -41.4 | 178.4 | -65.4 | -174.8 | 171.4 | 0 | 0 | 110.7 | F127 Y129 Q130 R135 H136 | F127-M132 HydrophobicContact CB-CB 4.08Å; F127-M132 HydrophobicContact CD1-CB 3.85Å; F127-M132 HydrophobicContact CG-CB 4.24Å; Y129-M132 HydrophobicContact CD2-CE 3.81Å; Y129-M132 HydrophobicContact CD2-SD 3.95Å; Y129-M132 HydrophobicContact CE2-CE 4.33Å; Y129-M132 WeakPolarHBondContact O-CA 3.32Å; Y129-M132 WeakPolarHBondContact O-CB 3.23Å; Y129-M132 PolarHBondContact O-N 3.07Å; Q130-M132 PolarHBondContact O-N 3.35Å; M132-R135 PolarHBondContact O-N 3.1Å; M132-H136 WeakPolarHBondContact O-CB 3.49Å; M132-H136 PolarHBondContact O-N 3.48Å |
| 133 | L | 81.9 | Confident | 78.5 | Confident | 23 Ų | 23 | 83 Ų | 83 | 12% | 0.12 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -59.1 | -49.6 | 171.2 | 175.3 | 62 | 0 | 0 | 0 | 110.7 | F118 T119 C120 F127 Y129 Q130 R135 H136 M137 | F118-L133 HydrophobicContact CB-CB 4.01Å; F118-L133 HydrophobicContact CB-CD2 3.81Å; T119-L133 WeakPolarHBondContact O-CD2 3.39Å; C120-L133 HydrophobicContact CB-CD1 3.67Å; F127-L133 HydrophobicContact CB-CB 4.32Å; F127-L133 HydrophobicContact CD2-CB 3.96Å; F127-L133 HydrophobicContact CD2-CD1 3.8Å; F127-L133 HydrophobicContact CD2-CG 4.49Å; F127-L133 HydrophobicContact CE2-CD1 3.98Å; F127-L133 HydrophobicContact CG-CB 4.3Å; Y129-L133 PolarHBondContact O-N 3.29Å; Q130-L133 PolarHBondContact O-N 2.95Å; L133-R135 VanDerWaalsContact C-N 3.31Å; L133-R135 PolarHBondContact O-N 2.95Å; L133-H136 CarbonylContact O-C 3.52Å; L133-H136 WeakPolarHBondContact O-CA 3.47Å; L133-H136 VanDerWaalsContact O-CB 3.31Å; L133-H136 WeakPolarHBondContact O-CB 3.42Å; L133-H136 PolarHBondContact O-N 2.83Å; L133-M137 HydrophobicContact CD1-CG 4.23Å; L133-M137 HydrophobicContact CD1-SD 4.02Å; L133-M137 HydrophobicContact CG-CG 4.39Å; L133-M137 WeakPolarHBondContact O-CG 3.26Å; L133-M137 PolarHBondContact O-N 3.01Å |
| 134 | N | 81 | Confident | 77.7 | Confident | 74 Ų | 74 | 85.7 Ų | 85.7 | 40% | 0.396 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -58 | -41 | 178.1 | -72.1 | -15.8 | 0 | 0 | 0 | 112.6 | Q130 M137 | Q130-N134 PolarHBondContact O-N 3.42Å; N134-M137 PolarHBondContact O-N 3.35Å |
| 135 | R | 77.9 | Confident | 77.1 | Confident | 116 Ų | 116 | 87 Ų | 87 | 44% | 0.438 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.8 | -41.4 | 173.2 | -177 | 178.4 | 63.4 | -175.8 | 0.2 | 111.5 | R131 M132 L133 M137 K138 | R131-R135 WeakPolarHBondContact O-CB 3.48Å; R131-R135 PolarHBondContact O-N 2.84Å; R131-R135 VanDerWaalsContact O-N 3.08Å; M132-R135 PolarHBondContact O-N 3.1Å; L133-R135 VanDerWaalsContact C-N 3.31Å; L133-R135 PolarHBondContact O-N 2.95Å; R135-M137 VanDerWaalsContact C-N 3.34Å; R135-K138 WeakPolarHBondContact O-CB 3.39Å; R135-K138 PolarHBondContact O-N 2.93Å |
| 136 | H | 81.3 | Confident | 77.2 | Confident | 30 Ų | 30 | 83.5 Ų | 83.5 | 14% | 0.139 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.8 | -39.2 | 176.8 | 168.7 | 71.9 | 0 | 0 | 0 | 112.2 | C120 C123 F127 M132 L133 K138 C139 H140 | C120-H136 VanDerWaalsContact SG-CD2 3.54Å; C120-H136 PolarHBondContact SG-NE2 3.45Å; C123-H136 PolarHBondContact SG-CE1 3.26Å; C123-H136 PolarHBondContact SG-NE2 3.02Å; F127-H136 HydrophobicContact CE1-CB 3.93Å; F127-H136 HydrophobicContact CE2-CB 3.81Å; F127-H136 AromaticContact CE2-CD2 3.53Å; F127-H136 AromaticContact CE2-CG 3.58Å; F127-H136 HydrophobicContact CZ-CB 3.39Å; F127-H136 AromaticContact CZ-CD2 3.67Å; F127-H136 AromaticContact CZ-CG 3.23Å; F127-H136 AromaticContact CZ-ND1 3.62Å; M132-H136 WeakPolarHBondContact O-CB 3.49Å; M132-H136 PolarHBondContact O-N 3.48Å; L133-H136 CarbonylContact O-C 3.52Å; L133-H136 WeakPolarHBondContact O-CA 3.47Å; L133-H136 VanDerWaalsContact O-CB 3.31Å; L133-H136 WeakPolarHBondContact O-CB 3.42Å; L133-H136 PolarHBondContact O-N 2.83Å; H136-K138 PolarHBondContact O-N 3.5Å; H136-K138 VanDerWaalsContact O-N 3.14Å; H136-C139 WeakPolarHBondContact O-CB 3.43Å; H136-C139 PolarHBondContact O-N 3.27Å; H136-H140 AromaticContact CD2-NE2 3.89Å; H136-H140 AromaticContact CE1-NE2 3.59Å; H136-H140 AromaticContact NE2-CD2 3.77Å; H136-H140 AromaticContact NE2-CE1 3.99Å; H136-H140 AromaticContact NE2-NE2 3.02Å; H136-H140 PolarHBondContact NE2-NE2 2.78Å |
| 137 | M | 78.9 | Confident | 77 | Confident | 19 Ų | 19 | 86.2 Ų | 86.2 | 9% | 0.094 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -59.7 | -26.2 | 178 | -65.5 | -50.8 | -71.7 | 0 | 0 | 113 | C120 H121 I122 L133 N134 R135 C139 H140 N141 | C120-M137 HydrophobicContact CB-SD 4.44Å; H121-M137 WeakPolarHBondContact NE2-CE 3.43Å; I122-M137 HydrophobicContact CD1-CE 3.67Å; I122-M137 HydrophobicContact CG1-CE 4.13Å; L133-M137 HydrophobicContact CD1-CG 4.23Å; L133-M137 HydrophobicContact CD1-SD 4.02Å; L133-M137 HydrophobicContact CG-CG 4.39Å; L133-M137 WeakPolarHBondContact O-CG 3.26Å; L133-M137 PolarHBondContact O-N 3.01Å; N134-M137 PolarHBondContact O-N 3.35Å; R135-M137 VanDerWaalsContact C-N 3.34Å; M137-C139 PolarHBondContact O-N 3.29Å; M137-H140 PolarHBondContact O-N 3.24Å; M137-H140 VanDerWaalsContact O-N 3.16Å; M137-N141 PolarHBondContact O-ND2 3.02Å |
| 138 | K | 76.6 | Confident | 77.3 | Confident | 93 Ų | 93 | 84.4 Ų | 84.4 | 40% | 0.404 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -24.9 | 172.7 | -59.9 | -178.5 | 176.9 | -177.2 | 0 | 113.1 | R135 H136 H140 N141 N156 | R135-K138 WeakPolarHBondContact O-CB 3.39Å; R135-K138 PolarHBondContact O-N 2.93Å; H136-K138 PolarHBondContact O-N 3.5Å; H136-K138 VanDerWaalsContact O-N 3.14Å; K138-H140 VanDerWaalsContact C-N 3.31Å; K138-N141 PolarHBondContact O-N 3.46Å; K138-N156 HydrophobicContact CB-CB 4.1Å; K138-N156 HydrophobicContact CD-CB 4.41Å; K138-N156 WeakPolarHBondContact CD-O 3.4Å; K138-N156 PolarHBondContact NZ-O 3.04Å |
| 139 | C | 74.3 | Confident | 77.5 | Confident | 70 Ų | 70 | 86.7 Ų | 86.7 | 47% | 0.473 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -27 | 176.4 | -168.4 | 0 | 0 | 0 | 0 | 113 | H136 M137 N141 | H136-C139 WeakPolarHBondContact O-CB 3.43Å; H136-C139 PolarHBondContact O-N 3.27Å; M137-C139 PolarHBondContact O-N 3.29Å; C139-N141 VanDerWaalsContact C-N 3.34Å |
| 140 | H | 76.9 | Confident | 77.9 | Confident | 61 Ų | 61 | 87 Ų | 87 | 28% | 0.282 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -15.4 | 179.2 | -66.9 | -59.5 | 0 | 0 | 0 | 113.4 | C120 I122 H136 M137 K138 | C120-H140 PolarHBondContact SG-NE2 2.91Å; I122-H140 HydrophobicContact CD1-CB 3.65Å; H136-H140 AromaticContact CD2-NE2 3.89Å; H136-H140 AromaticContact CE1-NE2 3.59Å; H136-H140 AromaticContact NE2-CD2 3.77Å; H136-H140 AromaticContact NE2-CE1 3.99Å; H136-H140 AromaticContact NE2-NE2 3.02Å; H136-H140 PolarHBondContact NE2-NE2 2.78Å; M137-H140 PolarHBondContact O-N 3.24Å; M137-H140 VanDerWaalsContact O-N 3.16Å; K138-H140 VanDerWaalsContact C-N 3.31Å |
| 141 | N | 66.3 | Low | 78.3 | Confident | 110 Ų | 110 | 85.9 Ų | 85.9 | 59% | 0.588 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -98.5 | -1.7 | -175.4 | -73 | -88.9 | 0 | 0 | 0 | 112.9 | M137 K138 C139 V143 | M137-N141 PolarHBondContact O-ND2 3.02Å; K138-N141 PolarHBondContact O-N 3.46Å; C139-N141 VanDerWaalsContact C-N 3.34Å; N141-V143 VanDerWaalsContact O-CG2 3.26Å; N141-V143 WeakPolarHBondContact O-CG2 3.38Å; N141-V143 PolarHBondContact O-N 3.02Å |
| 142 | D | 62.6 | Low | 78.4 | Confident | 127 Ų | 127 | 79.7 Ų | 79.7 | 68% | 0.679 | 41% | 0.409 | S | S | * | . | trans | 49.4 | 0.9 | -176.3 | -74.9 | -47.5 | 0 | 0 | 0 | 117.5 | K144 | D142-K144 VanDerWaalsContact C-N 3.28Å; D142-K144 PolarHBondContact O-N 2.84Å | ||
| 143 | V | 62.4 | Low | 78.4 | Confident | 82 Ų | 82 | 82.9 Ų | 82.9 | 50% | 0.497 | 42% | 0.421 | S | S | . | . | trans | -76.5 | 82 | 176.8 | -169.2 | 0 | 0 | 0 | 0 | 109.3 | N141 R145 | N141-V143 VanDerWaalsContact O-CG2 3.26Å; N141-V143 WeakPolarHBondContact O-CG2 3.38Å; N141-V143 PolarHBondContact O-N 3.02Å; V143-R145 HydrophobicContact CG1-CG 3.78Å; V143-R145 PolarHBondContact O-N 3.25Å; V143-R145 VanDerWaalsContact O-N 3.12Å | ||
| 144 | K | 68.1 | Low | 78.4 | Confident | 107 Ų | 107 | 82.4 Ų | 82.4 | 47% | 0.465 | 42% | 0.421 | S | S | . | . | trans | -74.1 | 94.2 | 168.2 | -75.2 | 161.6 | 173.6 | 170.7 | 0 | 109.4 | D142 H146 G154 F155 | D142-K144 VanDerWaalsContact C-N 3.28Å; D142-K144 PolarHBondContact O-N 2.84Å; K144-H146 VanDerWaalsContact C-N 3.29Å; K144-H146 PolarHBondContact O-N 2.83Å; K144-G154 VanDerWaalsContact CD-O 3.27Å; K144-G154 WeakPolarHBondContact CD-O 3.46Å; K144-F155 CarbonylContact C-O 3.56Å | ||
| 145 | R | 73.6 | Confident | 78.6 | Confident | 157 Ų | 157 | 80.3 Ų | 80.3 | 59% | 0.592 | 41% | 0.409 | S | S | * | . | trans | -74.1 | -17.8 | -175.5 | -62.3 | -176.8 | -174.5 | -121.3 | -1.2 | 113.9 | V143 F155 | V143-R145 HydrophobicContact CG1-CG 3.78Å; V143-R145 PolarHBondContact O-N 3.25Å; V143-R145 VanDerWaalsContact O-N 3.12Å; R145-F155 PolarHBondContact N-O 2.79Å | ||
| 146 | H | 83.9 | Confident | 78.6 | Confident | 53 Ų | 53 | 76.5 Ų | 76.5 | 25% | 0.245 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 102.5 | -172.6 | -56.7 | -64 | 0 | 0 | 0 | 110.4 | K144 G154 F155 D157 T158 L161 | K144-H146 VanDerWaalsContact C-N 3.29Å; K144-H146 PolarHBondContact O-N 2.83Å; H146-G154 CarbonylContact O-C 3.53Å; H146-G154 WeakPolarHBondContact O-CA 3.33Å; H146-F155 HydrophobicContact CB-CB 4.31Å; H146-F155 PolarHBondContact N-O 2.86Å; H146-F155 VanDerWaalsContact N-O 3.11Å; H146-F155 PolarHBondContact O-N 3.04Å; H146-D157 VanDerWaalsContact CD2-C 3.45Å; H146-T158 PolarHBondContact CD2-N 3.32Å; H146-T158 WeakPolarHBondContact CE1-CG2 3.42Å; H146-L161 HydrophobicContact CB-CB 4.2Å; H146-L161 HydrophobicContact CB-CD2 3.82Å |
| 147 | L | 84.9 | Confident | 78.5 | Confident | 110 Ų | 110 | 77.1 Ų | 77.1 | 58% | 0.576 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 142.9 | -178 | -54.3 | -179.9 | 0 | 0 | 0 | 111.1 | L161 | L147-L161 WeakPolarHBondContact O-CD2 3.23Å |
| 148 | C | 87.7 | Confident | 78.7 | Confident | 4 Ų | 4 | 79.3 Ų | 79.3 | 3% | 0.027 | 42% | 0.416 | C | S | . | . | trans | -76.7 | 127.2 | 170.5 | -174.1 | 0 | 0 | 0 | 0 | 110.4 | Y150 G152 K153 F155 L161 H164 | C148-Y150 VanDerWaalsContact C-N 3.28Å; C148-Y150 PolarHBondContact O-N 3.43Å; C148-G152 WeakPolarHBondContact O-CA 3.3Å; C148-G152 PolarHBondContact O-N 3.42Å; C148-K153 HydrophobicContact CB-CB 4.41Å; C148-K153 WeakPolarHBondContact CB-O 3.29Å; C148-K153 PolarHBondContact N-O 2.98Å; C148-F155 HydrophobicContact CB-CE2 4.26Å; C148-L161 HydrophobicContact CB-CD1 3.83Å; C148-H164 PolarHBondContact SG-CD2 3.39Å; C148-H164 PolarHBondContact SG-NE2 2.89Å | ||
| 149 | T | 89.5 | Confident | 79.1 | Confident | 130 Ų | 130 | 80.6 Ų | 80.6 | 80% | 0.798 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -26.4 | 178.4 | 51.6 | 0 | 0 | 0 | 0 | 113 | ||
| 150 | Y | 87.1 | Confident | 79.6 | Confident | 137 Ų | 137 | 78.9 Ų | 78.9 | 54% | 0.537 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -33 | -179.2 | -65 | -88.4 | 0 | 0 | 0 | 113.5 | C148 V165 H168 T169 | C148-Y150 VanDerWaalsContact C-N 3.28Å; C148-Y150 PolarHBondContact O-N 3.43Å; Y150-V165 HydrophobicContact CD2-CG1 4.39Å; Y150-V165 HydrophobicContact CE2-CG1 3.83Å; Y150-H168 HydrophobicContact CD1-CB 3.96Å; Y150-H168 HydrophobicContact CD2-CB 3.97Å; Y150-H168 AromaticContact CD2-CD2 3.94Å; Y150-H168 HydrophobicContact CE1-CB 4.35Å; Y150-H168 HydrophobicContact CE2-CB 4.38Å; Y150-H168 HydrophobicContact CG-CB 3.75Å; Y150-H168 AromaticContact CG-CD2 3.87Å; Y150-H168 AromaticContact CG-CG 3.72Å; Y150-T169 HydrophobicContact CE2-CG2 4.45Å |
| 151 | C | 88.3 | Confident | 80.1 | Confident | 66 Ų | 66 | 77.4 Ų | 77.4 | 45% | 0.446 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -140.3 | 7.3 | -171.4 | 68.1 | 0 | 0 | 0 | 0 | 114.9 | K153 H164 H168 | C151-K153 PolarHBondContact O-N 3.06Å; C151-H164 PolarHBondContact SG-NE2 3.47Å; C151-H168 PolarHBondContact SG-NE2 2.81Å; C151-H168 VanDerWaalsContact SG-NE2 3.37Å |
| 152 | G | 81 | Confident | 81.2 | Confident | 50 Ų | 50 | 79.1 Ų | 79.1 | 52% | 0.515 | 40% | 0.404 | S | S | . | . | trans | 69 | -3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | C148 G154 | C148-G152 WeakPolarHBondContact O-CA 3.3Å; C148-G152 PolarHBondContact O-N 3.42Å; G152-G154 PolarHBondContact O-N 3Å | ||
| 153 | K | 82.9 | Confident | 82.4 | Confident | 122 Ų | 122 | 77.3 Ų | 77.3 | 53% | 0.53 | 39% | 0.388 | S | S | . | . | trans | -63.7 | 128.4 | -176.3 | -171.1 | 170.7 | -176.5 | 173.2 | 0 | 111.6 | C148 C151 F155 | C148-K153 HydrophobicContact CB-CB 4.41Å; C148-K153 WeakPolarHBondContact CB-O 3.29Å; C148-K153 PolarHBondContact N-O 2.98Å; C151-K153 PolarHBondContact O-N 3.06Å; K153-F155 HydrophobicContact CB-CE2 4.08Å; K153-F155 HydrophobicContact CB-CZ 4.42Å; K153-F155 HydrophobicContact CD-CE2 4.45Å; K153-F155 HydrophobicContact CD-CZ 3.96Å; K153-F155 HydrophobicContact CG-CE2 3.99Å; K153-F155 HydrophobicContact CG-CZ 3.97Å; K153-F155 VanDerWaalsContact O-CD2 3.32Å; K153-F155 WeakPolarHBondContact O-CD2 2.84Å; K153-F155 WeakPolarHBondContact O-CE2 3.28Å | ||
| 154 | G | 81.8 | Confident | 83.7 | Confident | 12 Ų | 12 | 74.8 Ų | 74.8 | 12% | 0.124 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 144.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | K144 H146 G152 | K144-G154 VanDerWaalsContact CD-O 3.27Å; K144-G154 WeakPolarHBondContact CD-O 3.46Å; H146-G154 CarbonylContact O-C 3.53Å; H146-G154 WeakPolarHBondContact O-CA 3.33Å; G152-G154 PolarHBondContact O-N 3Å |
| 155 | F | 84 | Confident | 84.8 | Confident | 31 Ų | 31 | 71.5 Ų | 71.5 | 14% | 0.136 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 152.4 | -180 | -61.6 | -91.5 | 0 | 0 | 0 | 111.5 | K144 R145 H146 C148 K153 D160 L161 H164 | K144-F155 CarbonylContact C-O 3.56Å; R145-F155 PolarHBondContact N-O 2.79Å; H146-F155 HydrophobicContact CB-CB 4.31Å; H146-F155 PolarHBondContact N-O 2.86Å; H146-F155 VanDerWaalsContact N-O 3.11Å; H146-F155 PolarHBondContact O-N 3.04Å; C148-F155 HydrophobicContact CB-CE2 4.26Å; K153-F155 HydrophobicContact CB-CE2 4.08Å; K153-F155 HydrophobicContact CB-CZ 4.42Å; K153-F155 HydrophobicContact CD-CE2 4.45Å; K153-F155 HydrophobicContact CD-CZ 3.96Å; K153-F155 HydrophobicContact CG-CE2 3.99Å; K153-F155 HydrophobicContact CG-CZ 3.97Å; K153-F155 VanDerWaalsContact O-CD2 3.32Å; K153-F155 WeakPolarHBondContact O-CD2 2.84Å; K153-F155 WeakPolarHBondContact O-CE2 3.28Å; F155-D160 HydrophobicContact CB-CB 4.46Å; F155-D160 HydrophobicContact CD1-CB 3.93Å; F155-L161 HydrophobicContact CB-CB 4.13Å; F155-L161 HydrophobicContact CD2-CB 3.96Å; F155-L161 HydrophobicContact CD2-CD1 3.68Å; F155-L161 HydrophobicContact CD2-CG 4.41Å; F155-L161 HydrophobicContact CE2-CD1 3.92Å; F155-L161 HydrophobicContact CG-CB 4.09Å; F155-H164 HydrophobicContact CE1-CB 3.71Å; F155-H164 HydrophobicContact CE2-CB 3.92Å; F155-H164 AromaticContact CE2-CD2 3.34Å; F155-H164 WeakPolarHBondContact CE2-CD2 3.48Å; F155-H164 AromaticContact CE2-CG 3.69Å; F155-H164 HydrophobicContact CZ-CB 3.3Å; F155-H164 AromaticContact CZ-CD2 3.32Å; F155-H164 WeakPolarHBondContact CZ-CD2 3.28Å; F155-H164 AromaticContact CZ-CG 3.16Å; F155-H164 AromaticContact CZ-ND1 3.82Å |
| 156 | N | 78.5 | Confident | 85.7 | Confident | 36 Ų | 36 | 67 Ų | 67 | 19% | 0.193 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -85.5 | -13.2 | -179.4 | -66.9 | -19.3 | 0 | 0 | 0 | 113.5 | K138 | K138-N156 HydrophobicContact CB-CB 4.1Å; K138-N156 HydrophobicContact CD-CB 4.41Å; K138-N156 WeakPolarHBondContact CD-O 3.4Å; K138-N156 PolarHBondContact NZ-O 3.04Å |
| 157 | D | 79.3 | Confident | 86 | Confident | 43 Ų | 43 | 68.8 Ų | 68.8 | 23% | 0.23 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -144.8 | 146.9 | 179.8 | -167.7 | -4.1 | 0 | 0 | 0 | 110.8 | H146 F159 D160 L161 | H146-D157 VanDerWaalsContact CD2-C 3.45Å; D157-F159 VanDerWaalsContact C-N 3.26Å; D157-F159 PolarHBondContact O-N 3.28Å; D157-F159 PolarHBondContact OD1-N 2.91Å; D157-D160 PolarHBondContact O-N 3.35Å; D157-L161 PolarHBondContact O-N 3.46Å |
| 158 | T | 83.8 | Confident | 86.2 | Confident | 65 Ų | 65 | 67.2 Ų | 67.2 | 40% | 0.399 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.9 | -33.6 | 174.9 | 61.3 | 0 | 0 | 0 | 0 | 112.5 | H146 L161 K162 | H146-T158 PolarHBondContact CD2-N 3.32Å; H146-T158 WeakPolarHBondContact CE1-CG2 3.42Å; T158-L161 PolarHBondContact O-N 3.15Å; T158-K162 WeakPolarHBondContact O-CB 3.32Å; T158-K162 WeakPolarHBondContact O-CG 3.26Å; T158-K162 PolarHBondContact O-N 2.99Å |
| 159 | F | 84.6 | Confident | 86.3 | Confident | 119 Ų | 119 | 70.1 Ų | 70.1 | 52% | 0.522 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 178.1 | 179.4 | -94.5 | 0 | 0 | 0 | 111.5 | D157 K162 R163 | D157-F159 VanDerWaalsContact C-N 3.26Å; D157-F159 PolarHBondContact O-N 3.28Å; D157-F159 PolarHBondContact OD1-N 2.91Å; F159-K162 PolarHBondContact O-N 3.42Å; F159-R163 PolarHBondContact O-N 3.35Å |
| 160 | D | 84.4 | Confident | 86.3 | Confident | 35 Ų | 35 | 66.2 Ų | 66.2 | 19% | 0.187 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67.3 | -39.2 | 178.9 | -67.2 | -39.8 | 0 | 0 | 0 | 111.1 | F155 D157 R163 H164 | F155-D160 HydrophobicContact CB-CB 4.46Å; F155-D160 HydrophobicContact CD1-CB 3.93Å; D157-D160 PolarHBondContact O-N 3.35Å; D160-R163 PolarHBondContact O-N 3.49Å; D160-R163 IonicContact OD1-CZ 3.45Å; D160-R163 IonicContact OD1-NH1 3.82Å; D160-R163 IonicContact OD1-NH2 3.4Å; D160-R163 PolarHBondContact OD1-NH2 2.83Å; D160-H164 WeakPolarHBondContact O-CB 3.33Å; D160-H164 PolarHBondContact O-N 2.83Å |
| 161 | L | 87.6 | Confident | 86.4 | Confident | 30 Ų | 30 | 63.4 Ų | 63.4 | 16% | 0.157 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.5 | -50.8 | 172.3 | 172.4 | 60.8 | 0 | 0 | 0 | 111.5 | H146 L147 C148 F155 D157 T158 R163 H164 V165 | H146-L161 HydrophobicContact CB-CB 4.2Å; H146-L161 HydrophobicContact CB-CD2 3.82Å; L147-L161 WeakPolarHBondContact O-CD2 3.23Å; C148-L161 HydrophobicContact CB-CD1 3.83Å; F155-L161 HydrophobicContact CB-CB 4.13Å; F155-L161 HydrophobicContact CD2-CB 3.96Å; F155-L161 HydrophobicContact CD2-CD1 3.68Å; F155-L161 HydrophobicContact CD2-CG 4.41Å; F155-L161 HydrophobicContact CE2-CD1 3.92Å; F155-L161 HydrophobicContact CG-CB 4.09Å; D157-L161 PolarHBondContact O-N 3.46Å; T158-L161 PolarHBondContact O-N 3.15Å; L161-R163 VanDerWaalsContact C-N 3.28Å; L161-R163 PolarHBondContact O-N 2.75Å; L161-H164 CarbonylContact O-C 3.25Å; L161-H164 WeakPolarHBondContact O-CA 3.36Å; L161-H164 WeakPolarHBondContact O-CB 3.42Å; L161-H164 PolarHBondContact O-N 2.83Å; L161-V165 HydrophobicContact CD1-CG2 4.05Å; L161-V165 HydrophobicContact CG-CG2 4.47Å; L161-V165 WeakPolarHBondContact O-CG2 3.39Å; L161-V165 PolarHBondContact O-N 2.93Å |
| 162 | K | 89.4 | Confident | 86.5 | Confident | 146 Ų | 146 | 66.3 Ų | 66.3 | 64% | 0.635 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -59.2 | -39.5 | 178.9 | -77.4 | -178.3 | -178 | -177.3 | 0 | 112.1 | T158 F159 | T158-K162 WeakPolarHBondContact O-CB 3.32Å; T158-K162 WeakPolarHBondContact O-CG 3.26Å; T158-K162 PolarHBondContact O-N 2.99Å; F159-K162 PolarHBondContact O-N 3.42Å |
| 163 | R | 88.4 | Confident | 86.9 | Confident | 88 Ų | 88 | 67.1 Ų | 67.1 | 33% | 0.332 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.4 | -43.1 | 174.2 | -178.7 | 179 | 63 | -150.4 | -12.5 | 111 | F159 D160 L161 R166 Q185 | F159-R163 PolarHBondContact O-N 3.35Å; D160-R163 PolarHBondContact O-N 3.49Å; D160-R163 IonicContact OD1-CZ 3.45Å; D160-R163 IonicContact OD1-NH1 3.82Å; D160-R163 IonicContact OD1-NH2 3.4Å; D160-R163 PolarHBondContact OD1-NH2 2.83Å; L161-R163 VanDerWaalsContact C-N 3.28Å; L161-R163 PolarHBondContact O-N 2.75Å; R163-R166 WeakPolarHBondContact O-CB 3.18Å; R163-R166 PolarHBondContact O-N 3.13Å; R163-Q185 HydrophobicContact CG-CG 4.34Å |
| 164 | H | 89.9 | Confident | 87.3 | Confident | 30 Ų | 30 | 64 Ų | 64 | 14% | 0.139 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 177.3 | 168.3 | 64 | 0 | 0 | 0 | 112.4 | C148 C151 F155 D160 L161 R166 T167 H168 | C148-H164 PolarHBondContact SG-CD2 3.39Å; C148-H164 PolarHBondContact SG-NE2 2.89Å; C151-H164 PolarHBondContact SG-NE2 3.47Å; F155-H164 HydrophobicContact CE1-CB 3.71Å; F155-H164 HydrophobicContact CE2-CB 3.92Å; F155-H164 AromaticContact CE2-CD2 3.34Å; F155-H164 WeakPolarHBondContact CE2-CD2 3.48Å; F155-H164 AromaticContact CE2-CG 3.69Å; F155-H164 HydrophobicContact CZ-CB 3.3Å; F155-H164 AromaticContact CZ-CD2 3.32Å; F155-H164 WeakPolarHBondContact CZ-CD2 3.28Å; F155-H164 AromaticContact CZ-CG 3.16Å; F155-H164 AromaticContact CZ-ND1 3.82Å; D160-H164 WeakPolarHBondContact O-CB 3.33Å; D160-H164 PolarHBondContact O-N 2.83Å; L161-H164 CarbonylContact O-C 3.25Å; L161-H164 WeakPolarHBondContact O-CA 3.36Å; L161-H164 WeakPolarHBondContact O-CB 3.42Å; L161-H164 PolarHBondContact O-N 2.83Å; H164-R166 PolarHBondContact O-N 3.47Å; H164-T167 WeakPolarHBondContact O-CB 3.39Å; H164-T167 WeakPolarHBondContact O-CG2 3.48Å; H164-T167 PolarHBondContact O-N 3.27Å; H164-T167 PolarHBondContact O-OG1 3.46Å; H164-H168 AromaticContact CE1-NE2 3.49Å; H164-H168 PolarHBondContact CE1-NE2 3.43Å; H164-H168 AromaticContact NE2-CD2 3.77Å; H164-H168 AromaticContact NE2-NE2 3.22Å; H164-H168 PolarHBondContact NE2-NE2 2.88Å |
| 165 | V | 90.2 | Very high | 87.7 | Confident | 37 Ų | 37 | 70.9 Ų | 70.9 | 22% | 0.224 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -55.4 | -28.8 | 179.6 | 168.2 | 0 | 0 | 0 | 0 | 112.6 | Y150 L161 T167 H168 T169 | Y150-V165 HydrophobicContact CD2-CG1 4.39Å; Y150-V165 HydrophobicContact CE2-CG1 3.83Å; L161-V165 HydrophobicContact CD1-CG2 4.05Å; L161-V165 HydrophobicContact CG-CG2 4.47Å; L161-V165 WeakPolarHBondContact O-CG2 3.39Å; L161-V165 PolarHBondContact O-N 2.93Å; V165-T167 PolarHBondContact O-N 3.37Å; V165-T167 VanDerWaalsContact O-N 3.14Å; V165-H168 PolarHBondContact O-N 2.8Å; V165-T169 HydrophobicContact CG1-CG2 4.03Å; V165-T169 PolarHBondContact O-N 3.29Å; V165-T169 VanDerWaalsContact O-N 3.11Å; V165-T169 PolarHBondContact O-OG1 2.97Å |
| 166 | R | 92.8 | Very high | 88.1 | Confident | 62 Ų | 62 | 70 Ų | 70 | 23% | 0.234 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.4 | -20 | 174.6 | -59.7 | 175.9 | -172.6 | 165.6 | 0.5 | 113.9 | R163 H164 H168 G170 T184 | R163-R166 WeakPolarHBondContact O-CB 3.18Å; R163-R166 PolarHBondContact O-N 3.13Å; H164-R166 PolarHBondContact O-N 3.47Å; R166-H168 VanDerWaalsContact C-N 3.31Å; R166-G170 WeakPolarHBondContact O-CA 3.48Å; R166-G170 PolarHBondContact O-N 3.48Å; R166-G170 VanDerWaalsContact O-N 3.11Å; R166-T184 PolarHBondContact NH1-O 3.24Å; R166-T184 VanDerWaalsContact NH1-O 3.14Å |
| 167 | T | 89.9 | Confident | 88.6 | Confident | 92 Ų | 92 | 72.3 Ų | 72.3 | 56% | 0.564 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -74.4 | -25.8 | 174.5 | 68.8 | 0 | 0 | 0 | 0 | 112.1 | H164 V165 | H164-T167 WeakPolarHBondContact O-CB 3.39Å; H164-T167 WeakPolarHBondContact O-CG2 3.48Å; H164-T167 PolarHBondContact O-N 3.27Å; H164-T167 PolarHBondContact O-OG1 3.46Å; V165-T167 PolarHBondContact O-N 3.37Å; V165-T167 VanDerWaalsContact O-N 3.14Å |
| 168 | H | 90.1 | Very high | 89.1 | Confident | 77 Ų | 77 | 74.8 Ų | 74.8 | 36% | 0.356 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -86.2 | -44.6 | 176 | -64.7 | -64.9 | 0 | 0 | 0 | 111.3 | Y150 C151 H164 V165 R166 G170 | Y150-H168 HydrophobicContact CD1-CB 3.96Å; Y150-H168 HydrophobicContact CD2-CB 3.97Å; Y150-H168 AromaticContact CD2-CD2 3.94Å; Y150-H168 HydrophobicContact CE1-CB 4.35Å; Y150-H168 HydrophobicContact CE2-CB 4.38Å; Y150-H168 HydrophobicContact CG-CB 3.75Å; Y150-H168 AromaticContact CG-CD2 3.87Å; Y150-H168 AromaticContact CG-CG 3.72Å; C151-H168 PolarHBondContact SG-NE2 2.81Å; C151-H168 VanDerWaalsContact SG-NE2 3.37Å; H164-H168 AromaticContact CE1-NE2 3.49Å; H164-H168 PolarHBondContact CE1-NE2 3.43Å; H164-H168 AromaticContact NE2-CD2 3.77Å; H164-H168 AromaticContact NE2-NE2 3.22Å; H164-H168 PolarHBondContact NE2-NE2 2.88Å; V165-H168 PolarHBondContact O-N 2.8Å; R166-H168 VanDerWaalsContact C-N 3.31Å; H168-G170 VanDerWaalsContact C-N 3.29Å; H168-G170 PolarHBondContact O-N 3.13Å |
| 169 | T | 89.5 | Confident | 89.6 | Confident | 64 Ų | 64 | 73.6 Ų | 73.6 | 39% | 0.393 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -80.7 | -10.1 | -176.9 | 62.6 | 0 | 0 | 0 | 0 | 113.8 | Y150 V165 V171 | Y150-T169 HydrophobicContact CE2-CG2 4.45Å; V165-T169 HydrophobicContact CG1-CG2 4.03Å; V165-T169 PolarHBondContact O-N 3.29Å; V165-T169 VanDerWaalsContact O-N 3.11Å; V165-T169 PolarHBondContact O-OG1 2.97Å; T169-V171 PolarHBondContact O-N 2.76Å; T169-V171 VanDerWaalsContact O-N 3.08Å; T169-V171 WeakPolarHBondContact OG1-CG2 3.48Å |
| 170 | G | 88.4 | Confident | 89.9 | Confident | 48 Ų | 48 | 76.2 Ų | 76.2 | 50% | 0.495 | 40% | 0.399 | S | S | . | . | trans | 65.5 | 9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | R166 H168 R172 | R166-G170 WeakPolarHBondContact O-CA 3.48Å; R166-G170 PolarHBondContact O-N 3.48Å; R166-G170 VanDerWaalsContact O-N 3.11Å; H168-G170 VanDerWaalsContact C-N 3.29Å; H168-G170 PolarHBondContact O-N 3.13Å; G170-R172 WeakPolarHBondContact O-CG 3.4Å; G170-R172 PolarHBondContact O-N 3.4Å | ||
| 171 | V | 90.5 | Very high | 90.3 | Very high | 78 Ų | 78 | 80.6 Ų | 80.6 | 47% | 0.473 | 42% | 0.416 | S | S | . | . | trans | -68.3 | 121 | -177.1 | 174.7 | 0 | 0 | 0 | 0 | 110.5 | T169 P173 | T169-V171 PolarHBondContact O-N 2.76Å; T169-V171 VanDerWaalsContact O-N 3.08Å; T169-V171 WeakPolarHBondContact OG1-CG2 3.48Å; V171-P173 WeakPolarHBondContact O-CD 3.47Å | ||
| 172 | R | 89.9 | Confident | 90.5 | Very high | 128 Ų | 128 | 80 Ų | 80 | 48% | 0.483 | 42% | 0.416 | S | S | . | . | trans | -118.3 | 82.3 | -178 | -66.3 | 169.6 | 90.1 | 108.9 | 1.6 | 110.2 | G170 Y174 A182 F183 T184 | G170-R172 WeakPolarHBondContact O-CG 3.4Å; G170-R172 PolarHBondContact O-N 3.4Å; R172-Y174 PolarHBondContact O-N 3.41Å; R172-A182 HydrophobicContact CB-CB 3.56Å; R172-A182 VanDerWaalsContact NE-C 3.34Å; R172-A182 PolarHBondContact NE-O 3.11Å; R172-A182 PolarHBondContact NH2-O 3.18Å; R172-F183 CarbonylContact C-O 3.3Å; R172-F183 VanDerWaalsContact C-O 3.3Å; R172-F183 VanDerWaalsContact CA-O 3.27Å; R172-F183 WeakPolarHBondContact CA-O 3.49Å; R172-T184 HydrophobicContact CG-CG2 3.82Å | ||
| 173 | P | 88.4 | Confident | 90.6 | Very high | 67 Ų | 67 | 74.6 Ų | 74.6 | 44% | 0.435 | 39% | 0.393 | S | S | . | . | trans | -73.4 | -12.1 | -171.8 | 29.2 | -32.7 | 0 | 0 | 0 | 113.3 | V171 F183 | V171-P173 WeakPolarHBondContact O-CD 3.47Å; P173-F183 WeakPolarHBondContact CD-O 3.48Å | ||
| 174 | Y | 91.4 | Very high | 90.7 | Very high | 57 Ų | 57 | 72 Ų | 72 | 22% | 0.224 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 92 | -174.4 | -59.6 | -69 | 0 | 0 | 0 | 110.2 | R172 A182 F183 T184 Q185 R186 Y203 | R172-Y174 PolarHBondContact O-N 3.41Å; Y174-A182 CarbonylContact O-C 3.43Å; Y174-A182 WeakPolarHBondContact O-CA 3.32Å; Y174-F183 WeakPolarHBondContact CB-O 3.16Å; Y174-F183 WeakPolarHBondContact CD2-O 3.44Å; Y174-F183 PolarHBondContact N-O 3.25Å; Y174-F183 PolarHBondContact O-N 3.34Å; Y174-T184 WeakPolarHBondContact CE2-O 3.36Å; Y174-Q185 VanDerWaalsContact CD2-CA 3.47Å; Y174-R186 HydrophobicContact CD1-CB 4.28Å; Y174-R186 HydrophobicContact CE1-CB 3.97Å; Y174-Y203 VanDerWaalsContact CB-OH 3.29Å; Y174-Y203 WeakPolarHBondContact CB-OH 3.46Å; Y174-Y203 AromaticContact CD1-CE1 3.6Å; Y174-Y203 HydrophobicContact CD1-CE1 3.6Å; Y174-Y203 AromaticContact CD1-CZ 3.71Å; Y174-Y203 VanDerWaalsContact CD1-OH 3.23Å; Y174-Y203 WeakPolarHBondContact CD1-OH 3.34Å; Y174-Y203 HydrophobicContact CE1-CE1 4.28Å |
| 175 | K | 90.9 | Very high | 90.6 | Very high | 156 Ų | 156 | 73.8 Ų | 73.8 | 68% | 0.678 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 136.3 | -179.7 | -61.3 | -174.2 | 179.6 | -175.4 | 0 | 111.1 | A182 L189 | K175-A182 HydrophobicContact CG-CB 4.02Å; K175-L189 VanDerWaalsContact O-CD2 3.32Å; K175-L189 WeakPolarHBondContact O-CD2 3.41Å |
| 176 | C | 91.3 | Very high | 90.6 | Very high | 11 Ų | 11 | 76.6 Ų | 76.6 | 7% | 0.074 | 40% | 0.402 | C | S | . | . | trans | -66 | 138.8 | 167.8 | -173.2 | 0 | 0 | 0 | 0 | 109.2 | L178 C179 K181 L189 L193 | C176-L178 VanDerWaalsContact C-N 3.32Å; C176-L178 PolarHBondContact SG-N 3.41Å; C176-L178 VanDerWaalsContact SG-N 3.42Å; C176-C179 WeakPolarHBondContact CB-O 3.33Å; C176-K181 VanDerWaalsContact CB-O 3.23Å; C176-K181 WeakPolarHBondContact CB-O 3.47Å; C176-K181 PolarHBondContact N-O 2.91Å; C176-L189 HydrophobicContact CB-CD1 3.65Å; C176-L193 WeakPolarHBondContact SG-CD2 3.22Å | ||
| 177 | S | 89.6 | Confident | 90.4 | Very high | 86 Ų | 86 | 76.7 Ų | 76.7 | 60% | 0.601 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -85.1 | -9.4 | 176 | 56.9 | 0 | 0 | 0 | 0 | 113.1 | ||
| 178 | L | 90.4 | Very high | 90.5 | Very high | 94 Ų | 94 | 74.4 Ų | 74.4 | 49% | 0.492 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -111.1 | -10.8 | -174.9 | -59.1 | 179.1 | 0 | 0 | 0 | 113 | C176 L193 H197 V199 | C176-L178 VanDerWaalsContact C-N 3.32Å; C176-L178 PolarHBondContact SG-N 3.41Å; C176-L178 VanDerWaalsContact SG-N 3.42Å; L178-L193 HydrophobicContact CD1-CD2 4.44Å; L178-H197 HydrophobicContact CD1-CB 3.55Å; L178-V199 HydrophobicContact CD1-CB 4.49Å; L178-V199 HydrophobicContact CD1-CG1 4.1Å; L178-V199 HydrophobicContact CD1-CG2 3.58Å |
| 179 | C | 92.9 | Very high | 90.7 | Very high | 40 Ų | 40 | 70.8 Ų | 70.8 | 27% | 0.27 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -156.4 | 170.1 | 174 | 67.7 | 0 | 0 | 0 | 0 | 110.7 | C176 K181 H192 H197 | C176-C179 WeakPolarHBondContact CB-O 3.33Å; C179-K181 PolarHBondContact O-N 3.29Å; C179-H192 PolarHBondContact SG-NE2 3.35Å; C179-H197 PolarHBondContact SG-NE2 2.67Å; C179-H197 VanDerWaalsContact SG-NE2 3.42Å |
| 180 | D | 91.5 | Very high | 90.8 | Very high | 175 Ų | 175 | 70.5 Ų | 70.5 | 94% | 0.936 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -76.3 | 8.3 | -176.7 | -61.3 | -45.8 | 0 | 0 | 0 | 114.6 | A182 | D180-A182 PolarHBondContact O-N 2.74Š|
| 181 | K | 92.6 | Very high | 91 | Very high | 126 Ų | 126 | 71.2 Ų | 71.2 | 55% | 0.548 | 37% | 0.374 | S | S | . | . | trans | -76.4 | 124.6 | 178.8 | -65.5 | -171 | -179 | -173.5 | 0 | 110.8 | C176 C179 F183 | C176-K181 VanDerWaalsContact CB-O 3.23Å; C176-K181 WeakPolarHBondContact CB-O 3.47Å; C176-K181 PolarHBondContact N-O 2.91Å; C179-K181 PolarHBondContact O-N 3.29Å; K181-F183 HydrophobicContact CB-CE2 3.94Å; K181-F183 HydrophobicContact CB-CZ 4.02Å | ||
| 182 | A | 92.7 | Very high | 91.1 | Very high | 19 Ų | 19 | 68.3 Ų | 68.3 | 16% | 0.157 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 160.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | R172 Y174 K175 D180 | R172-A182 HydrophobicContact CB-CB 3.56Å; R172-A182 VanDerWaalsContact NE-C 3.34Å; R172-A182 PolarHBondContact NE-O 3.11Å; R172-A182 PolarHBondContact NH2-O 3.18Å; Y174-A182 CarbonylContact O-C 3.43Å; Y174-A182 WeakPolarHBondContact O-CA 3.32Å; K175-A182 HydrophobicContact CG-CB 4.02Å; D180-A182 PolarHBondContact O-N 2.74Å |
| 183 | F | 91.6 | Very high | 91.2 | Very high | 31 Ų | 31 | 62.2 Ų | 62.2 | 14% | 0.136 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 152.7 | -178.5 | -59 | -91.6 | 0 | 0 | 0 | 111.2 | R172 P173 Y174 K181 Q185 L189 H192 | R172-F183 CarbonylContact C-O 3.3Å; R172-F183 VanDerWaalsContact C-O 3.3Å; R172-F183 VanDerWaalsContact CA-O 3.27Å; R172-F183 WeakPolarHBondContact CA-O 3.49Å; P173-F183 WeakPolarHBondContact CD-O 3.48Å; Y174-F183 WeakPolarHBondContact CB-O 3.16Å; Y174-F183 WeakPolarHBondContact CD2-O 3.44Å; Y174-F183 PolarHBondContact N-O 3.25Å; Y174-F183 PolarHBondContact O-N 3.34Å; K181-F183 HydrophobicContact CB-CE2 3.94Å; K181-F183 HydrophobicContact CB-CZ 4.02Å; F183-Q185 VanDerWaalsContact C-N 3.34Å; F183-L189 HydrophobicContact CB-CB 4.35Å; F183-L189 HydrophobicContact CD2-CB 3.74Å; F183-L189 HydrophobicContact CD2-CD1 3.49Å; F183-L189 VanDerWaalsContact CD2-CD1 3.49Å; F183-L189 HydrophobicContact CD2-CG 4.18Å; F183-L189 HydrophobicContact CE2-CB 4.4Å; F183-L189 HydrophobicContact CE2-CD1 3.46Å; F183-L189 VanDerWaalsContact CE2-CD1 3.46Å; F183-L189 HydrophobicContact CG-CB 4.18Å; F183-H192 HydrophobicContact CE1-CB 3.92Å; F183-H192 HydrophobicContact CE2-CB 3.92Å; F183-H192 AromaticContact CE2-CD2 3.58Å; F183-H192 AromaticContact CE2-CG 3.71Å; F183-H192 HydrophobicContact CZ-CB 3.38Å; F183-H192 AromaticContact CZ-CD2 3.64Å; F183-H192 AromaticContact CZ-CG 3.27Å; F183-H192 AromaticContact CZ-ND1 3.75Å |
| 184 | T | 89.4 | Confident | 91.5 | Very high | 35 Ų | 35 | 65.6 Ų | 65.6 | 22% | 0.215 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -79.9 | -19.1 | 176.8 | 55 | 0 | 0 | 0 | 0 | 112.6 | R166 R172 Y174 | R166-T184 PolarHBondContact NH1-O 3.24Å; R166-T184 VanDerWaalsContact NH1-O 3.14Å; R172-T184 HydrophobicContact CG-CG2 3.82Å; Y174-T184 WeakPolarHBondContact CE2-O 3.36Å |
| 185 | Q | 89.3 | Confident | 91.6 | Very high | 66 Ų | 66 | 71.2 Ų | 71.2 | 31% | 0.308 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -134.4 | 148.7 | -177.2 | -52.6 | -174.4 | 33.3 | 0 | 0 | 112.5 | R163 Y174 F183 S188 L189 | R163-Q185 HydrophobicContact CG-CG 4.34Å; Y174-Q185 VanDerWaalsContact CD2-CA 3.47Å; F183-Q185 VanDerWaalsContact C-N 3.34Å; Q185-S188 PolarHBondContact O-N 3.12Å; Q185-L189 PolarHBondContact O-N 3.48Å |
| 186 | R | 89.7 | Confident | 91.8 | Very high | 97 Ų | 97 | 69.1 Ų | 69.1 | 37% | 0.366 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.3 | -49.9 | 178.9 | -178.5 | -178.9 | 169.8 | 145.2 | 6.6 | 112.7 | Y174 S188 L189 E190 Y203 | Y174-R186 HydrophobicContact CD1-CB 4.28Å; Y174-R186 HydrophobicContact CE1-CB 3.97Å; R186-S188 PolarHBondContact O-N 3.02Å; R186-L189 PolarHBondContact O-N 3.21Å; R186-E190 HydrophobicContact CG-CG 4.5Å; R186-E190 IonicContact CZ-OE1 3.15Å; R186-E190 IonicContact NE-OE1 2.67Å; R186-E190 PolarHBondContact NE-OE1 3.26Å; R186-E190 IonicContact NH2-OE1 2.75Å; R186-E190 PolarHBondContact NH2-OE1 3.44Å; R186-E190 VanDerWaalsContact NH2-OE1 3.15Å; R186-E190 PolarHBondContact O-N 3.41Å; R186-Y203 HydrophobicContact CB-CE2 4.47Å; R186-Y203 HydrophobicContact CG-CD2 3.67Å; R186-Y203 HydrophobicContact CG-CE2 3.43Å; R186-Y203 VanDerWaalsContact CG-CE2 3.43Å; R186-Y203 HydrophobicContact CG-CG 4.41Å; R186-Y203 VanDerWaalsContact CZ-CB 3.48Å; R186-Y203 PolarHBondContact NH2-O 3.47Å |
| 187 | C | 88.8 | Confident | 91.8 | Very high | 64 Ų | 64 | 71.3 Ų | 71.3 | 43% | 0.432 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.1 | -32.2 | -178.7 | 52.9 | 0 | 0 | 0 | 0 | 112.5 | S191 | C187-S191 WeakPolarHBondContact O-CB 3.46Å; C187-S191 PolarHBondContact O-N 2.65Å; C187-S191 PolarHBondContact O-OG 3.31Å |
| 188 | S | 91.9 | Very high | 91.9 | Very high | 44 Ų | 44 | 70.3 Ų | 70.3 | 31% | 0.308 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.4 | -42.7 | 174 | -52.7 | 0 | 0 | 0 | 0 | 111.4 | Q185 R186 H192 | Q185-S188 PolarHBondContact O-N 3.12Å; R186-S188 PolarHBondContact O-N 3.02Å; S188-H192 WeakPolarHBondContact O-CB 3.47Å; S188-H192 PolarHBondContact O-N 3.39Å |
| 189 | L | 93.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.4 | -46 | 174.1 | 178.9 | 61.6 | 0 | 0 | 0 | 111.3 | K175 C176 F183 Q185 R186 S191 H192 L193 Y203 | K175-L189 VanDerWaalsContact O-CD2 3.32Å; K175-L189 WeakPolarHBondContact O-CD2 3.41Å; C176-L189 HydrophobicContact CB-CD1 3.65Å; F183-L189 HydrophobicContact CB-CB 4.35Å; F183-L189 HydrophobicContact CD2-CB 3.74Å; F183-L189 HydrophobicContact CD2-CD1 3.49Å; F183-L189 VanDerWaalsContact CD2-CD1 3.49Å; F183-L189 HydrophobicContact CD2-CG 4.18Å; F183-L189 HydrophobicContact CE2-CB 4.4Å; F183-L189 HydrophobicContact CE2-CD1 3.46Å; F183-L189 VanDerWaalsContact CE2-CD1 3.46Å; F183-L189 HydrophobicContact CG-CB 4.18Å; Q185-L189 PolarHBondContact O-N 3.48Å; R186-L189 PolarHBondContact O-N 3.21Å; L189-S191 VanDerWaalsContact C-N 3.28Å; L189-S191 PolarHBondContact O-N 2.95Å; L189-H192 WeakPolarHBondContact O-CB 3.4Å; L189-H192 PolarHBondContact O-N 3.41Å; L189-H192 VanDerWaalsContact O-N 3.1Å; L189-L193 HydrophobicContact CD1-CD1 4.02Å; L189-L193 HydrophobicContact CD1-CD2 4.44Å; L189-L193 HydrophobicContact CD1-CG 3.92Å; L189-L193 HydrophobicContact CD2-CD1 4.27Å; L189-L193 HydrophobicContact CG-CD1 3.71Å; L189-L193 HydrophobicContact CG-CG 4.15Å; L189-L193 WeakPolarHBondContact O-CD1 3.05Å; L189-L193 VanDerWaalsContact O-CG 3.28Å; L189-L193 WeakPolarHBondContact O-CG 3.36Å; L189-L193 PolarHBondContact O-N 3.06Å; L189-Y203 VanDerWaalsContact CB-OH 3.3Å; L189-Y203 WeakPolarHBondContact CB-OH 3.5Å; L189-Y203 HydrophobicContact CD2-CE1 4.26Å; L189-Y203 HydrophobicContact CD2-CE2 4.14Å; L189-Y203 WeakPolarHBondContact CD2-OH 3.21Å |
| 190 | E | 91.9 | Very high | 90.9 | Very high | 59 Ų | 59 | 72.6 Ų | 72.6 | 28% | 0.276 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -57.9 | -42.9 | 178.3 | -73 | 173.4 | 173.3 | 0 | 0 | 111.5 | R186 L193 K194 Y203 | R186-E190 HydrophobicContact CG-CG 4.5Å; R186-E190 IonicContact CZ-OE1 3.15Å; R186-E190 IonicContact NE-OE1 2.67Å; R186-E190 PolarHBondContact NE-OE1 3.26Å; R186-E190 IonicContact NH2-OE1 2.75Å; R186-E190 PolarHBondContact NH2-OE1 3.44Å; R186-E190 VanDerWaalsContact NH2-OE1 3.15Å; R186-E190 PolarHBondContact O-N 3.41Å; E190-L193 PolarHBondContact O-N 3.45Å; E190-K194 WeakPolarHBondContact O-CB 3.29Å; E190-K194 PolarHBondContact O-N 3.4Å; E190-Y203 HydrophobicContact CG-CE2 4.2Å |
| 191 | S | 92.3 | Very high | 89.9 | Confident | 62 Ų | 62 | 66.9 Ų | 66.9 | 43% | 0.434 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.7 | -41.6 | 175.1 | -61.2 | 0 | 0 | 0 | 0 | 112.1 | C187 L189 K195 | C187-S191 WeakPolarHBondContact O-CB 3.46Å; C187-S191 PolarHBondContact O-N 2.65Å; C187-S191 PolarHBondContact O-OG 3.31Å; L189-S191 VanDerWaalsContact C-N 3.28Å; L189-S191 PolarHBondContact O-N 2.95Å; S191-K195 WeakPolarHBondContact O-CB 3.29Å; S191-K195 VanDerWaalsContact O-CG 3.26Å; S191-K195 WeakPolarHBondContact O-CG 3.44Å; S191-K195 PolarHBondContact O-N 3.1Å |
| 192 | H | 93.5 | Very high | 88.8 | Confident | 17 Ų | 17 | 69.9 Ų | 69.9 | 8% | 0.079 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.5 | -48.6 | 176.3 | 162.3 | 72.6 | 0 | 0 | 0 | 111.6 | C179 F183 S188 L189 K194 K195 I196 H197 | C179-H192 PolarHBondContact SG-NE2 3.35Å; F183-H192 HydrophobicContact CE1-CB 3.92Å; F183-H192 HydrophobicContact CE2-CB 3.92Å; F183-H192 AromaticContact CE2-CD2 3.58Å; F183-H192 AromaticContact CE2-CG 3.71Å; F183-H192 HydrophobicContact CZ-CB 3.38Å; F183-H192 AromaticContact CZ-CD2 3.64Å; F183-H192 AromaticContact CZ-CG 3.27Å; F183-H192 AromaticContact CZ-ND1 3.75Å; S188-H192 WeakPolarHBondContact O-CB 3.47Å; S188-H192 PolarHBondContact O-N 3.39Å; L189-H192 WeakPolarHBondContact O-CB 3.4Å; L189-H192 PolarHBondContact O-N 3.41Å; L189-H192 VanDerWaalsContact O-N 3.1Å; H192-K194 VanDerWaalsContact C-N 3.34Å; H192-K194 PolarHBondContact O-N 3.47Å; H192-K195 PolarHBondContact O-N 3.38Å; H192-I196 WeakPolarHBondContact ND1-CG1 3.27Å; H192-I196 WeakPolarHBondContact O-CB 3.31Å; H192-I196 WeakPolarHBondContact O-CG1 3.45Å; H192-I196 PolarHBondContact O-N 3.12Å; H192-H197 AromaticContact CE1-NE2 3.73Å; H192-H197 AromaticContact NE2-CD2 3.52Å; H192-H197 AromaticContact NE2-NE2 3.29Å; H192-H197 PolarHBondContact NE2-NE2 3.06Å |
| 193 | L | 92.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 36% | 0.364 | C | S | . | . | I | π-helix | trans | -61.6 | -44.3 | 179.6 | -71 | 161.5 | 0 | 0 | 0 | 111.9 | C176 L178 L189 E190 K195 H197 G198 V199 Q201 | C176-L193 WeakPolarHBondContact SG-CD2 3.22Å; L178-L193 HydrophobicContact CD1-CD2 4.44Å; L189-L193 HydrophobicContact CD1-CD1 4.02Å; L189-L193 HydrophobicContact CD1-CD2 4.44Å; L189-L193 HydrophobicContact CD1-CG 3.92Å; L189-L193 HydrophobicContact CD2-CD1 4.27Å; L189-L193 HydrophobicContact CG-CD1 3.71Å; L189-L193 HydrophobicContact CG-CG 4.15Å; L189-L193 WeakPolarHBondContact O-CD1 3.05Å; L189-L193 VanDerWaalsContact O-CG 3.28Å; L189-L193 WeakPolarHBondContact O-CG 3.36Å; L189-L193 PolarHBondContact O-N 3.06Å; E190-L193 PolarHBondContact O-N 3.45Å; L193-K195 VanDerWaalsContact C-N 3.34Å; L193-K195 PolarHBondContact O-N 3.12Å; L193-H197 CarbonylContact O-C 3.52Å; L193-H197 WeakPolarHBondContact O-CA 3.17Å; L193-H197 WeakPolarHBondContact O-CB 3.33Å; L193-H197 PolarHBondContact O-N 3.34Å; L193-G198 PolarHBondContact O-N 3.25Å; L193-V199 CarbonylContact C-O 3.39Å; L193-V199 VanDerWaalsContact C-O 3.25Å; L193-V199 HydrophobicContact CB-CG2 3.97Å; L193-V199 WeakPolarHBondContact CB-O 3.32Å; L193-V199 HydrophobicContact CD2-CG2 3.74Å; L193-V199 HydrophobicContact CG-CG2 4.4Å; L193-V199 PolarHBondContact O-N 3.4Å; L193-Q201 HydrophobicContact CD1-CB 3.17Å; L193-Q201 HydrophobicContact CD1-CG 4.24Å; L193-Q201 VanDerWaalsContact CD1-OE1 3.32Å; L193-Q201 HydrophobicContact CG-CB 4.49Å |
| 194 | K | 93.7 | Very high | 85.6 | Confident | 138 Ų | 138 | 74.4 Ų | 74.4 | 60% | 0.6 | 39% | 0.393 | S | S | * | . | I | π-helix | trans | -61.7 | -43.8 | 177.4 | -174.6 | 177.3 | -177.1 | 178.4 | 0 | 111.6 | E190 H192 G198 V199 | E190-K194 WeakPolarHBondContact O-CB 3.29Å; E190-K194 PolarHBondContact O-N 3.4Å; H192-K194 VanDerWaalsContact C-N 3.34Å; H192-K194 PolarHBondContact O-N 3.47Å; K194-G198 WeakPolarHBondContact O-CA 3.35Å; K194-G198 PolarHBondContact O-N 3.43Å; K194-V199 PolarHBondContact N-O 3.49Å |
| 195 | K | 94.8 | Very high | 83.8 | Confident | 175 Ų | 175 | 80.7 Ų | 80.7 | 76% | 0.761 | 41% | 0.414 | S | S | * | . | I | π-helix | trans | -80.3 | -39 | -173.7 | -71.9 | -179.7 | 178.8 | -172.6 | 0 | 113.8 | S191 H192 L193 | S191-K195 WeakPolarHBondContact O-CB 3.29Å; S191-K195 VanDerWaalsContact O-CG 3.26Å; S191-K195 WeakPolarHBondContact O-CG 3.44Å; S191-K195 PolarHBondContact O-N 3.1Å; H192-K195 PolarHBondContact O-N 3.38Å; L193-K195 VanDerWaalsContact C-N 3.34Å; L193-K195 PolarHBondContact O-N 3.12Å |
| 196 | I | 95.1 | Very high | 82.3 | Confident | 112 Ų | 112 | 86.6 Ų | 86.6 | 57% | 0.574 | 44% | 0.439 | S | S | * | . | I | π-helix | trans | -98.6 | -37.9 | -171.1 | -55.8 | -55.6 | 0 | 0 | 0 | 111.6 | H192 | H192-I196 WeakPolarHBondContact ND1-CG1 3.27Å; H192-I196 WeakPolarHBondContact O-CB 3.31Å; H192-I196 WeakPolarHBondContact O-CG1 3.45Å; H192-I196 PolarHBondContact O-N 3.12Å |
| 197 | H | 91.4 | Very high | 80.3 | Confident | 58 Ų | 58 | 90.4 Ų | 90.4 | 27% | 0.269 | 46% | 0.461 | S | S | . | . | I | π-helix | trans | -109.2 | -8.6 | -173.9 | -62.5 | -67.9 | 0 | 0 | 0 | 113 | L178 C179 H192 L193 V199 | L178-H197 HydrophobicContact CD1-CB 3.55Å; C179-H197 PolarHBondContact SG-NE2 2.67Å; C179-H197 VanDerWaalsContact SG-NE2 3.42Å; H192-H197 AromaticContact CE1-NE2 3.73Å; H192-H197 AromaticContact NE2-CD2 3.52Å; H192-H197 AromaticContact NE2-NE2 3.29Å; H192-H197 PolarHBondContact NE2-NE2 3.06Å; L193-H197 CarbonylContact O-C 3.52Å; L193-H197 WeakPolarHBondContact O-CA 3.17Å; L193-H197 WeakPolarHBondContact O-CB 3.33Å; L193-H197 PolarHBondContact O-N 3.34Å; H197-V199 HydrophobicContact CB-CG1 4.49Å; H197-V199 HydrophobicContact CB-CG2 3.89Å; H197-V199 WeakPolarHBondContact O-CG1 3.33Å; H197-V199 PolarHBondContact O-N 2.83Å; H197-V199 VanDerWaalsContact O-N 3.11Å |
| 198 | G | 91.2 | Very high | 78.8 | Confident | 64 Ų | 64 | 97 Ų | 97 | 66% | 0.66 | 48% | 0.477 | S | S | * | . | trans | 66 | 7.1 | -175 | 0 | 0 | 0 | 0 | 0 | 114.2 | L193 K194 | L193-G198 PolarHBondContact O-N 3.25Å; K194-G198 WeakPolarHBondContact O-CA 3.35Å; K194-G198 PolarHBondContact O-N 3.43Å | ||
| 199 | V | 84.3 | Confident | 77.3 | Confident | 58 Ų | 58 | 106 Ų | 106 | 35% | 0.352 | 50% | 0.504 | S | S | . | . | trans | -102.7 | 156.8 | -175.8 | -55.5 | 0 | 0 | 0 | 0 | 112.2 | L178 L193 K194 H197 | L178-V199 HydrophobicContact CD1-CB 4.49Å; L178-V199 HydrophobicContact CD1-CG1 4.1Å; L178-V199 HydrophobicContact CD1-CG2 3.58Å; L193-V199 CarbonylContact C-O 3.39Å; L193-V199 VanDerWaalsContact C-O 3.25Å; L193-V199 HydrophobicContact CB-CG2 3.97Å; L193-V199 WeakPolarHBondContact CB-O 3.32Å; L193-V199 HydrophobicContact CD2-CG2 3.74Å; L193-V199 HydrophobicContact CG-CG2 4.4Å; L193-V199 PolarHBondContact O-N 3.4Å; K194-V199 PolarHBondContact N-O 3.49Å; H197-V199 HydrophobicContact CB-CG1 4.49Å; H197-V199 HydrophobicContact CB-CG2 3.89Å; H197-V199 WeakPolarHBondContact O-CG1 3.33Å; H197-V199 PolarHBondContact O-N 2.83Å; H197-V199 VanDerWaalsContact O-N 3.11Å | ||
| 200 | Q | 77.6 | Confident | 75.9 | Confident | 125 Ų | 125 | 109.7 Ų | 109.7 | 58% | 0.584 | 53% | 0.534 | S | S | * | . | trans | -108.6 | 110.9 | 170.4 | -64 | -64.3 | -38.1 | 0 | 0 | 108.7 | K202 | Q200-K202 PolarHBondContact O-N 2.79Š| ||
| 201 | Q | 71.3 | Confident | 75.1 | Confident | 54 Ų | 54 | 113.8 Ų | 113.8 | 25% | 0.252 | 55% | 0.551 | S | S | . | * | trans | -88.2 | 106.4 | 170.4 | -169.9 | 175.8 | 25 | 0 | 0 | 109 | L193 Y203 | L193-Q201 HydrophobicContact CD1-CB 3.17Å; L193-Q201 HydrophobicContact CD1-CG 4.24Å; L193-Q201 VanDerWaalsContact CD1-OE1 3.32Å; L193-Q201 HydrophobicContact CG-CB 4.49Å; Q201-Y203 PolarHBondContact O-N 3.48Å | ||
| 202 | K | 68.6 | Low | 74.5 | Confident | 190 Ų | 190 | 115.2 Ų | 115.2 | 83% | 0.826 | 55% | 0.553 | S | S | * | * | trans | -76 | 107.2 | 166.1 | -65.4 | -174.7 | -178.6 | 176.8 | 0 | 107.1 | Q200 A204 | Q200-K202 PolarHBondContact O-N 2.79Å; K202-A204 PolarHBondContact O-N 3.24Å | ||
| 203 | Y | 60.8 | Low | 73.8 | Confident | 53 Ų | 53 | 116.7 Ų | 116.7 | 21% | 0.208 | 56% | 0.559 | C | S | . | * | trans | -66.8 | 114.5 | 164.5 | -60.3 | -106.7 | 0 | 0 | 0 | 107.4 | Y174 R186 L189 E190 Q201 Y205 | Y174-Y203 VanDerWaalsContact CB-OH 3.29Å; Y174-Y203 WeakPolarHBondContact CB-OH 3.46Å; Y174-Y203 AromaticContact CD1-CE1 3.6Å; Y174-Y203 HydrophobicContact CD1-CE1 3.6Å; Y174-Y203 AromaticContact CD1-CZ 3.71Å; Y174-Y203 VanDerWaalsContact CD1-OH 3.23Å; Y174-Y203 WeakPolarHBondContact CD1-OH 3.34Å; Y174-Y203 HydrophobicContact CE1-CE1 4.28Å; R186-Y203 HydrophobicContact CB-CE2 4.47Å; R186-Y203 HydrophobicContact CG-CD2 3.67Å; R186-Y203 HydrophobicContact CG-CE2 3.43Å; R186-Y203 VanDerWaalsContact CG-CE2 3.43Å; R186-Y203 HydrophobicContact CG-CG 4.41Å; R186-Y203 VanDerWaalsContact CZ-CB 3.48Å; R186-Y203 PolarHBondContact NH2-O 3.47Å; L189-Y203 VanDerWaalsContact CB-OH 3.3Å; L189-Y203 WeakPolarHBondContact CB-OH 3.5Å; L189-Y203 HydrophobicContact CD2-CE1 4.26Å; L189-Y203 HydrophobicContact CD2-CE2 4.14Å; L189-Y203 WeakPolarHBondContact CD2-OH 3.21Å; E190-Y203 HydrophobicContact CG-CE2 4.2Å; Q201-Y203 PolarHBondContact O-N 3.48Å; Y203-Y205 PolarHBondContact O-N 2.81Å | ||
| 204 | A | 55.9 | Low | 73.2 | Confident | 92 Ų | 92 | 120.4 Ų | 120.4 | 76% | 0.76 | 58% | 0.581 | S | S | * | * | trans | -56.8 | 113.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | K202 K206 | K202-A204 PolarHBondContact O-N 3.24Å; A204-K206 PolarHBondContact O-N 3.29Å | ||
| 205 | Y | 51.8 | Low | 72.5 | Confident | 166 Ų | 166 | 113.9 Ų | 113.9 | 65% | 0.651 | 55% | 0.553 | S | S | * | * | trans | -59.6 | 123.6 | 157.1 | -177.1 | -95.7 | 0 | 0 | 0 | 104.7 | Y203 E207 R208 | Y203-Y205 PolarHBondContact O-N 2.81Å; Y205-E207 PolarHBondContact O-N 2.86Å; Y205-R208 HydrophobicContact CE1-CG 4.14Å | ||
| 206 | K | 57.5 | Low | 71.8 | Confident | 190 Ų | 190 | 114 Ų | 114 | 83% | 0.826 | 56% | 0.556 | S | S | * | * | trans | -48.9 | 112.4 | 173.7 | -70.3 | -175.6 | -178.3 | -174.9 | 0 | 106.2 | A204 R208 | A204-K206 PolarHBondContact O-N 3.29Å; K206-R208 PolarHBondContact O-N 2.95Å | ||
| 207 | E | 49 | Very low | 71 | Confident | 177 Ų | 177 | 113.3 Ų | 113.3 | 83% | 0.827 | 55% | 0.551 | S | S | * | * | trans | -52.3 | 120.5 | 179.5 | -172.1 | 166 | -158.9 | 0 | 0 | 106.2 | Y205 R209 | Y205-E207 PolarHBondContact O-N 2.86Å; E207-R209 PolarHBondContact O-N 3.44Å | ||
| 208 | R | 57.1 | Low | 70.5 | Confident | 202 Ų | 202 | 113.3 Ų | 113.3 | 76% | 0.762 | 56% | 0.557 | S | S | * | * | trans | -65.6 | 95.7 | 169.7 | -82.3 | -176.4 | -67.8 | -165.1 | -0.6 | 103.7 | Y205 K206 A210 | Y205-R208 HydrophobicContact CE1-CG 4.14Å; K206-R208 PolarHBondContact O-N 2.95Å; R208-A210 PolarHBondContact O-N 2.95Å | ||
| 209 | R | 59.3 | Low | 69.9 | Low | 234 Ų | 234 | 112.5 Ų | 112.5 | 88% | 0.883 | 55% | 0.548 | S | S | * | . | trans | -39.5 | 118.7 | 174.2 | -167 | 176.7 | 174.6 | 113 | -1.7 | 106.1 | E207 K211 | E207-R209 PolarHBondContact O-N 3.44Å; R209-K211 PolarHBondContact O-N 3.4Å | ||
| 210 | A | 64.2 | Low | 69.9 | Low | 77 Ų | 77 | 112.8 Ų | 112.8 | 64% | 0.636 | 55% | 0.552 | S | S | * | * | trans | -48.1 | 115.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | R208 L212 | R208-A210 PolarHBondContact O-N 2.95Å; A210-L212 VanDerWaalsContact C-N 3.27Å; A210-L212 PolarHBondContact O-N 2.92Å | ||
| 211 | K | 75.4 | Confident | 69.8 | Low | 146 Ų | 146 | 111.1 Ų | 111.1 | 64% | 0.635 | 55% | 0.551 | S | S | * | * | trans | -74.7 | 93 | -177.2 | -175.4 | 177.5 | 177.5 | -174.4 | 0 | 106.2 | R209 Y213 | R209-K211 PolarHBondContact O-N 3.4Å; K211-Y213 HydrophobicContact CD-CE1 4.46Å; K211-Y213 HydrophobicContact CG-CE2 4.29Å; K211-Y213 VanDerWaalsContact O-CD2 3.29Å; K211-Y213 WeakPolarHBondContact O-CD2 3.14Å; K211-Y213 VanDerWaalsContact O-CE2 3.29Å; K211-Y213 WeakPolarHBondContact O-CE2 3.32Å | ||
| 212 | L | 80.7 | Confident | 70.2 | Confident | 91 Ų | 91 | 109.4 Ų | 109.4 | 48% | 0.476 | 55% | 0.545 | S | S | . | . | trans | -73.1 | 130.2 | 172.7 | -61.2 | 176.9 | 0 | 0 | 0 | 108.3 | A210 S222 E223 | A210-L212 VanDerWaalsContact C-N 3.27Å; A210-L212 PolarHBondContact O-N 2.92Å; L212-S222 WeakPolarHBondContact CA-O 3.42Å; L212-E223 HydrophobicContact CD2-CG 4.03Å | ||
| 213 | Y | 78.1 | Confident | 70.7 | Confident | 48 Ų | 48 | 108.9 Ų | 108.9 | 19% | 0.188 | 55% | 0.545 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 113.2 | 173.8 | -64.7 | -95.7 | 0 | 0 | 0 | 107.6 | K211 T221 S222 Q225 H228 | K211-Y213 HydrophobicContact CD-CE1 4.46Å; K211-Y213 HydrophobicContact CG-CE2 4.29Å; K211-Y213 VanDerWaalsContact O-CD2 3.29Å; K211-Y213 WeakPolarHBondContact O-CD2 3.14Å; K211-Y213 VanDerWaalsContact O-CE2 3.29Å; K211-Y213 WeakPolarHBondContact O-CE2 3.32Å; Y213-T221 CarbonylContact O-C 3.59Å; Y213-T221 WeakPolarHBondContact O-CA 3.48Å; Y213-S222 WeakPolarHBondContact CB-OG 3.3Å; Y213-S222 PolarHBondContact N-O 3.11Å; Y213-S222 PolarHBondContact O-N 3.41Å; Y213-S222 PolarHBondContact O-OG 3.43Å; Y213-S222 VanDerWaalsContact O-OG 3.13Å; Y213-Q225 HydrophobicContact CD1-CB 4.36Å; Y213-Q225 HydrophobicContact CD1-CG 4.32Å; Y213-Q225 HydrophobicContact CE1-CB 3.74Å; Y213-Q225 HydrophobicContact CE1-CG 3.76Å; Y213-Q225 HydrophobicContact CE2-CB 3.93Å; Y213-H228 HydrophobicContact CG-CB 4.22Å |
| 214 | V | 79.9 | Confident | 71.7 | Confident | 79 Ų | 79 | 109.1 Ų | 109.1 | 48% | 0.479 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.4 | 129.1 | -178.9 | -169.7 | 0 | 0 | 0 | 0 | 108.5 | C220 T221 H228 | V214-C220 WeakPolarHBondContact CA-O 3.48Å; V214-T221 HydrophobicContact CG1-CG2 4.36Å; V214-T221 HydrophobicContact CG2-CG2 4.01Å; V214-H228 PolarHBondContact O-NE2 3.14Å |
| 215 | C | 79.4 | Confident | 72.9 | Confident | 1 Ų | 1 | 110.2 Ų | 110.2 | 1% | 0.007 | 54% | 0.544 | C | S | . | . | trans | -75.1 | 122.8 | 169.6 | -179 | 0 | 0 | 0 | 0 | 109.3 | E217 C218 G219 C220 H228 H231 | C215-E217 VanDerWaalsContact C-N 3.26Å; C215-E217 PolarHBondContact O-N 3.06Å; C215-C218 PolarHBondContact SG-SG 3.48Å; C215-G219 WeakPolarHBondContact O-CA 3.24Å; C215-G219 PolarHBondContact O-N 3.02Å; C215-C220 PolarHBondContact N-O 3.3Å; C215-H228 WeakPolarHBondContact CA-NE2 3.18Å; C215-H231 WeakPolarHBondContact CB-NE2 3.48Å; C215-H231 PolarHBondContact SG-NE2 3.48Å; C215-H231 VanDerWaalsContact SG-NE2 3.35Å | ||
| 216 | E | 79 | Confident | 74.3 | Confident | 176 Ų | 176 | 109.4 Ų | 109.4 | 82% | 0.822 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -17.8 | -178.7 | -66.7 | 176.1 | -178.1 | 0 | 0 | 112.7 | ||
| 217 | E | 78.7 | Confident | 75.5 | Confident | 98 Ų | 98 | 101.5 Ų | 101.5 | 46% | 0.458 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -30.2 | -177.5 | -64.6 | -179.4 | -148.3 | 0 | 0 | 113.2 | C215 H236 S239 | C215-E217 VanDerWaalsContact C-N 3.26Å; C215-E217 PolarHBondContact O-N 3.06Å; E217-H236 VanDerWaalsContact CB-CE1 3.47Å; E217-H236 WeakPolarHBondContact CB-CE1 3.45Å; E217-H236 WeakPolarHBondContact CB-ND1 3.47Å; E217-H236 WeakPolarHBondContact OE2-CB 3.46Å; E217-H236 IonicContact OE2-CE1 3.73Å; E217-H236 IonicContact OE2-CG 3.26Å; E217-H236 VanDerWaalsContact OE2-CG 3.26Å; E217-H236 IonicContact OE2-ND1 2.74Å; E217-H236 PolarHBondContact OE2-ND1 3.35Å; E217-S239 WeakPolarHBondContact OE1-CA 3.35Å; E217-S239 WeakPolarHBondContact OE1-CB 3.33Å; E217-S239 PolarHBondContact OE1-OG 3.17Å |
| 218 | C | 80.6 | Confident | 77.1 | Confident | 59 Ų | 59 | 93.9 Ų | 93.9 | 40% | 0.399 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133 | -3.3 | -177.6 | 65.9 | 0 | 0 | 0 | 0 | 114.7 | C215 C220 H231 H236 | C215-C218 PolarHBondContact SG-SG 3.48Å; C218-C220 PolarHBondContact O-N 2.93Å; C218-H231 PolarHBondContact SG-CE1 2.92Å; C218-H231 PolarHBondContact SG-NE2 3.21Å; C218-H236 WeakPolarHBondContact CB-NE2 3.34Å; C218-H236 PolarHBondContact SG-NE2 2.83Å |
| 219 | G | 79.9 | Confident | 78.4 | Confident | 47 Ų | 47 | 86 Ų | 86 | 49% | 0.485 | 46% | 0.456 | S | S | . | . | trans | 75.7 | 0.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | C215 T221 | C215-G219 WeakPolarHBondContact O-CA 3.24Å; C215-G219 PolarHBondContact O-N 3.02Å; G219-T221 PolarHBondContact O-N 3.49Å | ||
| 220 | C | 82.6 | Confident | 79.6 | Confident | 63 Ų | 63 | 79 Ų | 79 | 43% | 0.426 | 44% | 0.436 | S | S | . | . | trans | -63 | 135.2 | 178.4 | -69.9 | 0 | 0 | 0 | 0 | 111.7 | V214 C215 C218 | V214-C220 WeakPolarHBondContact CA-O 3.48Å; C215-C220 PolarHBondContact N-O 3.3Å; C218-C220 PolarHBondContact O-N 2.93Å | ||
| 221 | T | 77.3 | Confident | 80.6 | Confident | 91 Ų | 91 | 76.9 Ų | 76.9 | 56% | 0.558 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 137.1 | 178 | 63.9 | 0 | 0 | 0 | 0 | 110.6 | Y213 V214 G219 | Y213-T221 CarbonylContact O-C 3.59Å; Y213-T221 WeakPolarHBondContact O-CA 3.48Å; V214-T221 HydrophobicContact CG1-CG2 4.36Å; V214-T221 HydrophobicContact CG2-CG2 4.01Å; G219-T221 PolarHBondContact O-N 3.49Å |
| 222 | S | 79.3 | Confident | 80.9 | Confident | 18 Ų | 18 | 70.1 Ų | 70.1 | 13% | 0.126 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 143 | 174.5 | 52.8 | 0 | 0 | 0 | 0 | 110.6 | L212 Y213 S224 H228 | L212-S222 WeakPolarHBondContact CA-O 3.42Å; Y213-S222 WeakPolarHBondContact CB-OG 3.3Å; Y213-S222 PolarHBondContact N-O 3.11Å; Y213-S222 PolarHBondContact O-N 3.41Å; Y213-S222 PolarHBondContact O-OG 3.43Å; Y213-S222 VanDerWaalsContact O-OG 3.13Å; S222-S224 VanDerWaalsContact C-N 3.25Å; S222-S224 PolarHBondContact O-N 3Å; S222-S224 PolarHBondContact OG-O 3.33Å; S222-H228 VanDerWaalsContact OG-CA 3.3Å; S222-H228 WeakPolarHBondContact OG-CA 3.47Å; S222-H228 WeakPolarHBondContact OG-CB 3.35Å; S222-H228 PolarHBondContact OG-N 2.98Å |
| 223 | E | 78.9 | Confident | 81.1 | Confident | 179 Ų | 179 | 71.8 Ų | 71.8 | 84% | 0.836 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -79.6 | -10.3 | -176.2 | -59.4 | -177.4 | 155.9 | 0 | 0 | 112.8 | L212 | L212-E223 HydrophobicContact CD2-CG 4.03Š|
| 224 | S | 81.7 | Confident | 81.3 | Confident | 58 Ų | 58 | 76.4 Ų | 76.4 | 41% | 0.406 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -136.4 | 150.7 | -178.9 | 77.9 | 0 | 0 | 0 | 0 | 111.9 | S222 E226 G227 H228 | S222-S224 VanDerWaalsContact C-N 3.25Å; S222-S224 PolarHBondContact O-N 3Å; S222-S224 PolarHBondContact OG-O 3.33Å; S224-E226 PolarHBondContact O-N 3.41Å; S224-G227 PolarHBondContact O-N 3.14Å; S224-G227 PolarHBondContact OG-N 3.3Å; S224-H228 PolarHBondContact O-N 2.87Å; S224-H228 VanDerWaalsContact O-N 3.1Å |
| 225 | Q | 81.1 | Confident | 81.4 | Confident | 115 Ų | 115 | 78.7 Ų | 78.7 | 54% | 0.537 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.9 | -36.1 | 177 | -168 | 179 | -52.8 | 0 | 0 | 111.3 | Y213 H228 V229 | Y213-Q225 HydrophobicContact CD1-CB 4.36Å; Y213-Q225 HydrophobicContact CD1-CG 4.32Å; Y213-Q225 HydrophobicContact CE1-CB 3.74Å; Y213-Q225 HydrophobicContact CE1-CG 3.76Å; Y213-Q225 HydrophobicContact CE2-CB 3.93Å; Q225-H228 WeakPolarHBondContact O-CB 3.33Å; Q225-H228 PolarHBondContact O-N 3.12Å; Q225-V229 WeakPolarHBondContact O-CG2 3.26Å; Q225-V229 PolarHBondContact O-N 3.3Å |
| 226 | E | 81.3 | Confident | 81.6 | Confident | 149 Ų | 149 | 80.2 Ų | 80.2 | 70% | 0.696 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -67.6 | -42.3 | 179 | -172.4 | 168.5 | -167.8 | 0 | 0 | 111.4 | S224 H228 V229 L230 | S224-E226 PolarHBondContact O-N 3.41Å; E226-H228 VanDerWaalsContact C-N 3.33Å; E226-H228 PolarHBondContact O-N 3.3Å; E226-V229 PolarHBondContact O-N 3.44Å; E226-L230 WeakPolarHBondContact O-CG 3.37Å; E226-L230 PolarHBondContact O-N 2.7Å |
| 227 | G | 81.6 | Confident | 81.5 | Confident | 23 Ų | 23 | 75.9 Ų | 75.9 | 24% | 0.237 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -60.6 | -40.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S224 V229 L230 H231 | S224-G227 PolarHBondContact O-N 3.14Å; S224-G227 PolarHBondContact OG-N 3.3Å; G227-V229 PolarHBondContact O-N 3.23Å; G227-L230 PolarHBondContact O-N 3.48Å; G227-H231 WeakPolarHBondContact O-CB 3.36Å; G227-H231 PolarHBondContact O-N 2.85Å |
| 228 | H | 84 | Confident | 81.4 | Confident | 18 Ų | 18 | 77 Ų | 77 | 8% | 0.083 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -61.7 | -43.6 | 174.6 | -169.4 | -139.8 | 0 | 0 | 0 | 112.4 | Y213 V214 C215 S222 S224 Q225 E226 H231 L232 | Y213-H228 HydrophobicContact CG-CB 4.22Å; V214-H228 PolarHBondContact O-NE2 3.14Å; C215-H228 WeakPolarHBondContact CA-NE2 3.18Å; S222-H228 VanDerWaalsContact OG-CA 3.3Å; S222-H228 WeakPolarHBondContact OG-CA 3.47Å; S222-H228 WeakPolarHBondContact OG-CB 3.35Å; S222-H228 PolarHBondContact OG-N 2.98Å; S224-H228 PolarHBondContact O-N 2.87Å; S224-H228 VanDerWaalsContact O-N 3.1Å; Q225-H228 WeakPolarHBondContact O-CB 3.33Å; Q225-H228 PolarHBondContact O-N 3.12Å; E226-H228 VanDerWaalsContact C-N 3.33Å; E226-H228 PolarHBondContact O-N 3.3Å; H228-H231 PolarHBondContact O-N 3.36Å; H228-L232 WeakPolarHBondContact O-CG 3.39Å; H228-L232 PolarHBondContact O-N 3.08Å |
| 229 | V | 83.1 | Confident | 81.2 | Confident | 35 Ų | 35 | 74.3 Ų | 74.3 | 21% | 0.212 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -67.8 | -38.7 | 179.9 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | Q225 E226 G227 L232 K233 L242 | Q225-V229 WeakPolarHBondContact O-CG2 3.26Å; Q225-V229 PolarHBondContact O-N 3.3Å; E226-V229 PolarHBondContact O-N 3.44Å; G227-V229 PolarHBondContact O-N 3.23Å; V229-L232 PolarHBondContact O-N 2.88Å; V229-K233 HydrophobicContact CG1-CD 4.36Å; V229-K233 WeakPolarHBondContact O-CG 3.48Å; V229-K233 PolarHBondContact O-N 2.87Å; V229-L242 HydrophobicContact CG1-CD2 4.2Å |
| 230 | L | 85.6 | Confident | 80.6 | Confident | 88 Ų | 88 | 76 Ų | 76 | 46% | 0.461 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.8 | -47.1 | 173.6 | -71.6 | 173.6 | 0 | 0 | 0 | 111.2 | E226 G227 L232 K233 E234 | E226-L230 WeakPolarHBondContact O-CG 3.37Å; E226-L230 PolarHBondContact O-N 2.7Å; G227-L230 PolarHBondContact O-N 3.48Å; L230-L232 VanDerWaalsContact C-N 3.32Å; L230-L232 PolarHBondContact O-N 3.07Å; L230-K233 PolarHBondContact O-N 3.46Å; L230-E234 WeakPolarHBondContact O-CG 3.1Å; L230-E234 PolarHBondContact O-N 3.3Å |
| 231 | H | 83.5 | Confident | 79.8 | Confident | 33 Ų | 33 | 75.6 Ų | 75.6 | 15% | 0.153 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -54.8 | -46.6 | 175.3 | 166.4 | 79.9 | 0 | 0 | 0 | 112 | C215 C218 G227 H228 K233 E234 H235 H236 | C215-H231 WeakPolarHBondContact CB-NE2 3.48Å; C215-H231 PolarHBondContact SG-NE2 3.48Å; C215-H231 VanDerWaalsContact SG-NE2 3.35Å; C218-H231 PolarHBondContact SG-CE1 2.92Å; C218-H231 PolarHBondContact SG-NE2 3.21Å; G227-H231 WeakPolarHBondContact O-CB 3.36Å; G227-H231 PolarHBondContact O-N 2.85Å; H228-H231 PolarHBondContact O-N 3.36Å; H231-K233 PolarHBondContact O-N 3.13Å; H231-E234 PolarHBondContact O-N 2.87Å; H231-H235 AromaticContact ND1-CD2 3.9Å; H231-H235 WeakPolarHBondContact O-CB 3.39Å; H231-H235 PolarHBondContact O-N 3.15Å; H231-H236 AromaticContact NE2-CD2 3.54Å; H231-H236 AromaticContact NE2-NE2 3.82Å |
| 232 | L | 82.9 | Confident | 79 | Confident | 4 Ų | 4 | 72.3 Ų | 72.3 | 2% | 0.021 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.6 | -41.9 | 175.9 | -69.9 | 174.4 | 0 | 0 | 0 | 111.6 | H228 V229 L230 E234 H236 L241 L242 | H228-L232 WeakPolarHBondContact O-CG 3.39Å; H228-L232 PolarHBondContact O-N 3.08Å; V229-L232 PolarHBondContact O-N 2.88Å; L230-L232 VanDerWaalsContact C-N 3.32Å; L230-L232 PolarHBondContact O-N 3.07Å; L232-E234 VanDerWaalsContact C-N 3.35Å; L232-E234 PolarHBondContact O-N 2.81Å; L232-H236 HydrophobicContact CD2-CB 4.02Å; L232-H236 CarbonylContact O-C 3.54Å; L232-H236 WeakPolarHBondContact O-CA 3.27Å; L232-H236 PolarHBondContact O-N 3.37Å; L232-L241 HydrophobicContact CD1-CB 3.95Å; L232-L241 HydrophobicContact CD1-CD1 4.21Å; L232-L242 HydrophobicContact CB-CD1 4.12Å; L232-L242 HydrophobicContact CB-CD2 3.93Å; L232-L242 HydrophobicContact CB-CG 4.01Å |
| 233 | K | 83.8 | Confident | 78 | Confident | 126 Ų | 126 | 79.2 Ų | 79.2 | 55% | 0.548 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65 | -37.2 | 179.2 | -74.8 | 175.3 | 179.4 | -177.7 | 0 | 113.3 | V229 L230 H231 L242 | V229-K233 HydrophobicContact CG1-CD 4.36Å; V229-K233 WeakPolarHBondContact O-CG 3.48Å; V229-K233 PolarHBondContact O-N 2.87Å; L230-K233 PolarHBondContact O-N 3.46Å; H231-K233 PolarHBondContact O-N 3.13Å; K233-L242 HydrophobicContact CG-CD1 4.07Å; K233-L242 HydrophobicContact CG-CD2 3.79Å |
| 234 | E | 83.2 | Confident | 76.9 | Confident | 145 Ų | 145 | 77.1 Ų | 77.1 | 68% | 0.678 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -83.1 | -38.3 | -175.5 | -69.3 | -178.5 | 158.1 | 0 | 0 | 112.7 | L230 H231 L232 | L230-E234 WeakPolarHBondContact O-CG 3.1Å; L230-E234 PolarHBondContact O-N 3.3Å; H231-E234 PolarHBondContact O-N 2.87Å; L232-E234 VanDerWaalsContact C-N 3.35Å; L232-E234 PolarHBondContact O-N 2.81Å |
| 235 | H | 81.1 | Confident | 75.4 | Confident | 127 Ų | 127 | 77.3 Ų | 77.3 | 59% | 0.588 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -112 | -21.3 | -172.1 | -66.6 | -74.8 | 0 | 0 | 0 | 114.3 | H231 | H231-H235 AromaticContact ND1-CD2 3.9Å; H231-H235 WeakPolarHBondContact O-CB 3.39Å; H231-H235 PolarHBondContact O-N 3.15Å |
| 236 | H | 83.8 | Confident | 74 | Confident | 33 Ų | 33 | 75.5 Ų | 75.5 | 15% | 0.153 | 39% | 0.386 | C | S | . | . | trans | -136.6 | 57.1 | -176.9 | -61.3 | -79.1 | 0 | 0 | 0 | 111.7 | E217 C218 H231 L232 D238 S239 | E217-H236 VanDerWaalsContact CB-CE1 3.47Å; E217-H236 WeakPolarHBondContact CB-CE1 3.45Å; E217-H236 WeakPolarHBondContact CB-ND1 3.47Å; E217-H236 WeakPolarHBondContact OE2-CB 3.46Å; E217-H236 IonicContact OE2-CE1 3.73Å; E217-H236 IonicContact OE2-CG 3.26Å; E217-H236 VanDerWaalsContact OE2-CG 3.26Å; E217-H236 IonicContact OE2-ND1 2.74Å; E217-H236 PolarHBondContact OE2-ND1 3.35Å; C218-H236 WeakPolarHBondContact CB-NE2 3.34Å; C218-H236 PolarHBondContact SG-NE2 2.83Å; H231-H236 AromaticContact NE2-CD2 3.54Å; H231-H236 AromaticContact NE2-NE2 3.82Å; L232-H236 HydrophobicContact CD2-CB 4.02Å; L232-H236 CarbonylContact O-C 3.54Å; L232-H236 WeakPolarHBondContact O-CA 3.27Å; L232-H236 PolarHBondContact O-N 3.37Å; H236-D238 PolarHBondContact O-N 3.28Å; H236-S239 WeakPolarHBondContact O-CB 3.31Å; H236-S239 PolarHBondContact O-N 2.76Å | ||
| 237 | P | 77.8 | Confident | 72.4 | Confident | 85 Ų | 85 | 75.6 Ų | 75.6 | 55% | 0.552 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -23.7 | -169.7 | 24.9 | -35.2 | 0 | 0 | 0 | 113.5 | S239 | P237-S239 VanDerWaalsContact C-N 3.35Š|
| 238 | D | 77.1 | Confident | 70.6 | Confident | 121 Ų | 121 | 82.7 Ų | 82.7 | 65% | 0.647 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | 0.8 | 177.4 | -71.3 | -52.5 | 0 | 0 | 0 | 114.3 | H236 | H236-D238 PolarHBondContact O-N 3.28Š|
| 239 | S | 75.9 | Confident | 68.9 | Low | 3 Ų | 3 | 85.9 Ų | 85.9 | 2% | 0.021 | 43% | 0.429 | C | S | . | . | trans | -56.2 | 132.1 | -173.6 | -170.9 | 0 | 0 | 0 | 0 | 112.6 | E217 H236 P237 L241 L242 | E217-S239 WeakPolarHBondContact OE1-CA 3.35Å; E217-S239 WeakPolarHBondContact OE1-CB 3.33Å; E217-S239 PolarHBondContact OE1-OG 3.17Å; H236-S239 WeakPolarHBondContact O-CB 3.31Å; H236-S239 PolarHBondContact O-N 2.76Å; P237-S239 VanDerWaalsContact C-N 3.35Å; S239-L241 PolarHBondContact O-N 2.84Å; S239-L242 PolarHBondContact O-N 2.9Å; S239-L242 VanDerWaalsContact O-N 3.12Å | ||
| 240 | P | 68 | Low | 67 | Low | 81 Ų | 81 | 86.3 Ų | 86.3 | 53% | 0.526 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -56.7 | -23.8 | 178.3 | -24.9 | 33.1 | 0 | 0 | 0 | 114.2 | R243 K244 | P240-R243 PolarHBondContact O-N 3.26Å; P240-K244 PolarHBondContact O-N 3.26Å |
| 241 | L | 64.7 | Low | 65.1 | Low | 56 Ų | 56 | 85.9 Ų | 85.9 | 29% | 0.293 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -71.1 | -33.5 | -179.9 | -64.7 | -174.9 | 0 | 0 | 0 | 112.9 | L232 S239 R243 K244 T245 | L232-L241 HydrophobicContact CD1-CB 3.95Å; L232-L241 HydrophobicContact CD1-CD1 4.21Å; S239-L241 PolarHBondContact O-N 2.84Å; L241-R243 VanDerWaalsContact C-N 3.3Å; L241-R243 PolarHBondContact O-N 2.85Å; L241-K244 HydrophobicContact CD2-CD 4.2Å; L241-K244 PolarHBondContact O-N 3.18Å; L241-T245 PolarHBondContact O-N 3.01Å; L241-T245 PolarHBondContact O-OG1 2.82Å |
| 242 | L | 60.2 | Low | 63.1 | Low | 22 Ų | 22 | 87 Ų | 87 | 12% | 0.115 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -66 | -35.1 | 174.3 | -65.9 | 175.9 | 0 | 0 | 0 | 111.4 | V229 L232 K233 S239 T245 S246 | V229-L242 HydrophobicContact CG1-CD2 4.2Å; L232-L242 HydrophobicContact CB-CD1 4.12Å; L232-L242 HydrophobicContact CB-CD2 3.93Å; L232-L242 HydrophobicContact CB-CG 4.01Å; K233-L242 HydrophobicContact CG-CD1 4.07Å; K233-L242 HydrophobicContact CG-CD2 3.79Å; S239-L242 PolarHBondContact O-N 2.9Å; S239-L242 VanDerWaalsContact O-N 3.12Å; L242-T245 PolarHBondContact O-OG1 3.16Å; L242-S246 PolarHBondContact O-N 3.26Å; L242-S246 PolarHBondContact O-OG 2.82Å |
| 243 | R | 58.5 | Low | 61.4 | Low | 162 Ų | 162 | 91.6 Ų | 91.6 | 61% | 0.611 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -69.9 | -32.1 | 175.7 | -59.4 | -176.4 | -174.3 | -168 | 0.7 | 112.2 | P240 L241 S246 K247 | P240-R243 PolarHBondContact O-N 3.26Å; L241-R243 VanDerWaalsContact C-N 3.3Å; L241-R243 PolarHBondContact O-N 2.85Å; R243-S246 PolarHBondContact O-N 3.18Å; R243-K247 PolarHBondContact O-N 3.23Å |
| 244 | K | 56.5 | Low | 59.9 | Low | 135 Ų | 135 | 91.7 Ų | 91.7 | 59% | 0.587 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -71.9 | -34.6 | 176.3 | -74.1 | 174.3 | -176.6 | 172.4 | 0 | 112.8 | P240 L241 K247 K248 | P240-K244 PolarHBondContact O-N 3.26Å; L241-K244 HydrophobicContact CD2-CD 4.2Å; L241-K244 PolarHBondContact O-N 3.18Å; K244-K247 PolarHBondContact O-N 3.11Å; K244-K248 PolarHBondContact O-N 3.36Å |
| 245 | T | 50.2 | Low | 58.2 | Low | 63 Ų | 63 | 89.6 Ų | 89.6 | 39% | 0.387 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.9 | -36.2 | 172.6 | 45.2 | 0 | 0 | 0 | 0 | 112.1 | L241 L242 K247 K248 V249 | L241-T245 PolarHBondContact O-N 3.01Å; L241-T245 PolarHBondContact O-OG1 2.82Å; L242-T245 PolarHBondContact O-OG1 3.16Å; T245-K247 VanDerWaalsContact C-N 3.32Å; T245-K247 PolarHBondContact O-N 2.8Å; T245-K248 PolarHBondContact O-N 2.78Å; T245-V249 WeakPolarHBondContact O-CG2 3.39Å; T245-V249 PolarHBondContact O-N 3.46Å; T245-V249 VanDerWaalsContact O-N 3.14Å |
| 246 | S | 51.1 | Low | 56.7 | Low | 76 Ų | 76 | 87.3 Ų | 87.3 | 53% | 0.531 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.1 | -33 | 174.4 | -61.2 | 0 | 0 | 0 | 0 | 112.9 | L242 R243 V249 A250 | L242-S246 PolarHBondContact O-N 3.26Å; L242-S246 PolarHBondContact O-OG 2.82Å; R243-S246 PolarHBondContact O-N 3.18Å; S246-V249 PolarHBondContact O-N 3.3Å; S246-A250 WeakPolarHBondContact O-CB 3.35Å; S246-A250 PolarHBondContact O-N 3.02Å |
| 247 | K | 47.3 | Very low | 55.3 | Low | 152 Ų | 152 | 89.5 Ų | 89.5 | 66% | 0.661 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -69.1 | -37 | 174.6 | -72.6 | -179.7 | -179.7 | -178.1 | 0 | 113 | R243 K244 T245 A250 V251 | R243-K247 PolarHBondContact O-N 3.23Å; K244-K247 PolarHBondContact O-N 3.11Å; T245-K247 VanDerWaalsContact C-N 3.32Å; T245-K247 PolarHBondContact O-N 2.8Å; K247-A250 PolarHBondContact O-N 2.74Å; K247-V251 WeakPolarHBondContact O-CB 3.45Å; K247-V251 VanDerWaalsContact O-CG2 3.24Å; K247-V251 WeakPolarHBondContact O-CG2 3.48Å; K247-V251 PolarHBondContact O-N 3.31Å |
| 248 | K | 45.2 | Very low | 54.2 | Low | 171 Ų | 171 | 89 Ų | 89 | 74% | 0.743 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -68.3 | -37 | 174.8 | -73.6 | -176.1 | 178.5 | 179.8 | 0 | 112.3 | K244 T245 A252 | K244-K248 PolarHBondContact O-N 3.36Å; T245-K248 PolarHBondContact O-N 2.78Å; K248-A252 WeakPolarHBondContact O-CB 3.43Å; K248-A252 PolarHBondContact O-N 3.5Å; K248-A252 VanDerWaalsContact O-N 3.11Å |
| 249 | V | 47.3 | Very low | 53 | Low | 85 Ų | 85 | 87.4 Ų | 87.4 | 52% | 0.515 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -72.2 | -37.7 | 173.7 | 176.8 | 0 | 0 | 0 | 0 | 111.3 | T245 S246 A252 L253 | T245-V249 WeakPolarHBondContact O-CG2 3.39Å; T245-V249 PolarHBondContact O-N 3.46Å; T245-V249 VanDerWaalsContact O-N 3.14Å; S246-V249 PolarHBondContact O-N 3.3Å; V249-A252 PolarHBondContact O-N 3.28Å; V249-L253 HydrophobicContact CG1-CD1 3.87Å; V249-L253 HydrophobicContact CG1-CG 4.36Å; V249-L253 WeakPolarHBondContact O-CB 3.47Å; V249-L253 WeakPolarHBondContact O-CG 3.48Å; V249-L253 PolarHBondContact O-N 2.93Å |
| 250 | A | 43 | Very low | 51.9 | Low | 45 Ų | 45 | 93.6 Ų | 93.6 | 37% | 0.372 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.9 | -38.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | S246 K247 L253 Q254 | S246-A250 WeakPolarHBondContact O-CB 3.35Å; S246-A250 PolarHBondContact O-N 3.02Å; K247-A250 PolarHBondContact O-N 2.74Å; A250-L253 PolarHBondContact O-N 2.71Å; A250-Q254 WeakPolarHBondContact O-CB 3.42Å; A250-Q254 PolarHBondContact O-N 3.01Å |
| 251 | V | 45 | Very low | 51.1 | Low | 78 Ų | 78 | 96.6 Ų | 96.6 | 47% | 0.473 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.8 | -38.7 | 172.6 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | K247 N255 | K247-V251 WeakPolarHBondContact O-CB 3.45Å; K247-V251 VanDerWaalsContact O-CG2 3.24Å; K247-V251 WeakPolarHBondContact O-CG2 3.48Å; K247-V251 PolarHBondContact O-N 3.31Å; V251-N255 WeakPolarHBondContact O-CB 3.47Å; V251-N255 PolarHBondContact O-N 3.4Å; V251-N255 VanDerWaalsContact O-N 3.07Å; V251-N255 PolarHBondContact O-ND2 3.4Å; V251-N255 VanDerWaalsContact O-ND2 3.15Å |
| 252 | A | 41.8 | Very low | 50.5 | Low | 56 Ų | 56 | 101.9 Ų | 101.9 | 46% | 0.463 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.3 | -39.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | K248 V249 T256 | K248-A252 WeakPolarHBondContact O-CB 3.43Å; K248-A252 PolarHBondContact O-N 3.5Å; K248-A252 VanDerWaalsContact O-N 3.11Å; V249-A252 PolarHBondContact O-N 3.28Å; A252-T256 PolarHBondContact O-N 2.95Å; A252-T256 PolarHBondContact O-OG1 3.08Å |
| 253 | L | 48.8 | Very low | 49.9 | Very low | 102 Ų | 102 | 103.4 Ų | 103.4 | 53% | 0.534 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -72.5 | -41.6 | 177.8 | -76 | 168.9 | 0 | 0 | 0 | 112.6 | V249 A250 N255 T256 V257 | V249-L253 HydrophobicContact CG1-CD1 3.87Å; V249-L253 HydrophobicContact CG1-CG 4.36Å; V249-L253 WeakPolarHBondContact O-CB 3.47Å; V249-L253 WeakPolarHBondContact O-CG 3.48Å; V249-L253 PolarHBondContact O-N 2.93Å; A250-L253 PolarHBondContact O-N 2.71Å; L253-N255 VanDerWaalsContact C-N 3.33Å; L253-N255 PolarHBondContact O-N 3.46Å; L253-T256 VanDerWaalsContact CA-OG1 3.27Å; L253-T256 WeakPolarHBondContact CA-OG1 3.35Å; L253-T256 PolarHBondContact O-N 3.19Å; L253-T256 PolarHBondContact O-OG1 3.45Å; L253-V257 WeakPolarHBondContact O-CG2 3.05Å; L253-V257 PolarHBondContact O-N 3.34Å |
| 254 | Q | 51.3 | Low | 49.2 | Very low | 128 Ų | 128 | 100.8 Ų | 100.8 | 60% | 0.598 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -59.4 | -45.5 | 173.5 | -85.7 | 175.9 | -24.8 | 0 | 0 | 110.7 | A250 T256 V257 T258 | A250-Q254 WeakPolarHBondContact O-CB 3.42Å; A250-Q254 PolarHBondContact O-N 3.01Å; Q254-T256 VanDerWaalsContact C-N 3.28Å; Q254-T256 PolarHBondContact O-N 2.8Å; Q254-V257 PolarHBondContact O-N 3.13Å; Q254-V257 VanDerWaalsContact O-N 3.13Å; Q254-T258 PolarHBondContact O-N 3.33Å; Q254-T258 PolarHBondContact O-OG1 3.04Å |
| 255 | N | 47.4 | Very low | 48.4 | Very low | 101 Ų | 101 | 100.2 Ų | 100.2 | 54% | 0.54 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63.1 | -32.3 | 177.4 | -68.2 | -18.6 | 0 | 0 | 0 | 113 | V251 L253 S259 | V251-N255 WeakPolarHBondContact O-CB 3.47Å; V251-N255 PolarHBondContact O-N 3.4Å; V251-N255 VanDerWaalsContact O-N 3.07Å; V251-N255 PolarHBondContact O-ND2 3.4Å; V251-N255 VanDerWaalsContact O-ND2 3.15Å; L253-N255 VanDerWaalsContact C-N 3.33Å; L253-N255 PolarHBondContact O-N 3.46Å; N255-S259 PolarHBondContact O-N 3.12Å; N255-S259 PolarHBondContact O-OG 2.73Å |
| 256 | T | 50.4 | Low | 48 | Very low | 78 Ų | 78 | 105.5 Ų | 105.5 | 48% | 0.479 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -73.5 | -35.9 | 172.8 | 48.2 | 0 | 0 | 0 | 0 | 113.4 | A252 L253 Q254 L260 | A252-T256 PolarHBondContact O-N 2.95Å; A252-T256 PolarHBondContact O-OG1 3.08Å; L253-T256 VanDerWaalsContact CA-OG1 3.27Å; L253-T256 WeakPolarHBondContact CA-OG1 3.35Å; L253-T256 PolarHBondContact O-N 3.19Å; L253-T256 PolarHBondContact O-OG1 3.45Å; Q254-T256 VanDerWaalsContact C-N 3.28Å; Q254-T256 PolarHBondContact O-N 2.8Å; T256-L260 WeakPolarHBondContact O-CG 3.41Å; T256-L260 PolarHBondContact O-N 3.07Å |
| 257 | V | 53.9 | Low | 47.3 | Very low | 80 Ų | 80 | 113.1 Ų | 113.1 | 49% | 0.485 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -74.8 | -40.2 | 179.2 | 173.4 | 0 | 0 | 0 | 0 | 111.4 | L253 Q254 S259 L260 L261 | L253-V257 WeakPolarHBondContact O-CG2 3.05Å; L253-V257 PolarHBondContact O-N 3.34Å; Q254-V257 PolarHBondContact O-N 3.13Å; Q254-V257 VanDerWaalsContact O-N 3.13Å; V257-S259 PolarHBondContact O-N 3.15Å; V257-L260 PolarHBondContact O-N 3.08Å; V257-L260 VanDerWaalsContact O-N 3.08Å; V257-L261 HydrophobicContact CG1-CD1 4.36Å; V257-L261 PolarHBondContact O-N 3.39Å |
| 258 | T | 54.5 | Low | 47.3 | Very low | 75 Ų | 75 | 111.2 Ų | 111.2 | 46% | 0.46 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -63.5 | -30.7 | 175.7 | -45.3 | 0 | 0 | 0 | 0 | 112 | Q254 L260 | Q254-T258 PolarHBondContact O-N 3.33Å; Q254-T258 PolarHBondContact O-OG1 3.04Å; T258-L260 VanDerWaalsContact C-N 3.33Å |
| 259 | S | 52.5 | Low | 47.4 | Very low | 87 Ų | 87 | 108 Ų | 108 | 61% | 0.608 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -73 | -22.1 | 175.2 | -58.8 | 0 | 0 | 0 | 0 | 113.6 | N255 V257 | N255-S259 PolarHBondContact O-N 3.12Å; N255-S259 PolarHBondContact O-OG 2.73Å; V257-S259 PolarHBondContact O-N 3.15Å |
| 260 | L | 52.6 | Low | 47.4 | Very low | 133 Ų | 133 | 109.3 Ų | 109.3 | 70% | 0.696 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -86.8 | -27.7 | 178.5 | -72.1 | 169.2 | 0 | 0 | 0 | 112.7 | T256 V257 T258 | T256-L260 WeakPolarHBondContact O-CG 3.41Å; T256-L260 PolarHBondContact O-N 3.07Å; V257-L260 PolarHBondContact O-N 3.08Å; V257-L260 VanDerWaalsContact O-N 3.08Å; T258-L260 VanDerWaalsContact C-N 3.33Å |
| 261 | L | 51.3 | Low | 47.7 | Very low | 143 Ų | 143 | 113.1 Ų | 113.1 | 75% | 0.749 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -82.9 | -14.2 | 179 | -67.6 | 172.9 | 0 | 0 | 0 | 114 | V257 | V257-L261 HydrophobicContact CG1-CD1 4.36Å; V257-L261 PolarHBondContact O-N 3.39Å |
| 262 | Q | 51.5 | Low | 47.8 | Very low | 167 Ų | 167 | 115.3 Ų | 115.3 | 78% | 0.78 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | 4 | 175.1 | -68.2 | -178.7 | -11.3 | 0 | 0 | 113.4 | ||
| 263 | G | 47.9 | Very low | 48.2 | Very low | 55 Ų | 55 | 119.2 Ų | 119.2 | 57% | 0.567 | 67% | 0.672 | S | S | * | * | trans | -107 | 14.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116 | P265 | G263-P265 WeakPolarHBondContact O-CD 3.09Š| ||
| 264 | S | 42.9 | Very low | 48.2 | Very low | 106 Ų | 106 | 120.4 Ų | 120.4 | 74% | 0.741 | 68% | 0.682 | S | S | * | * | trans | -94.9 | 98.1 | 172.1 | -66.6 | 0 | 0 | 0 | 0 | 110.1 | H266 | S264-H266 PolarHBondContact O-N 3.27Š| ||
| 265 | P | 40.5 | Very low | 47.9 | Very low | 124 Ų | 124 | 119.8 Ų | 119.8 | 81% | 0.805 | 69% | 0.688 | S | S | * | * | trans | -69.1 | 123.1 | 162.2 | 28.6 | -29.4 | 0 | 0 | 0 | 108 | G263 | G263-P265 WeakPolarHBondContact O-CD 3.09Š| ||
| 266 | H | 42.7 | Very low | 48 | Very low | 174 Ų | 174 | 121.4 Ų | 121.4 | 81% | 0.806 | 70% | 0.701 | S | S | * | * | trans | -63 | 145.9 | 166.5 | -150.5 | -83.9 | 0 | 0 | 0 | 109.2 | S264 | S264-H266 PolarHBondContact O-N 3.27Š| ||
| 267 | L | 35.2 | Very low | 47.8 | Very low | 235 Ų | 235 | 125.4 Ų | 125.4 | 100% | 1.23 | 72% | 0.721 | S | S | * | * | trans | 94.6 | 0 | 173.6 | -60.2 | 162 | 0 | 0 | 0 | 115.8 |
Retrieved 267 of 267 residues in 278.8 ms
(Link to these results)