| 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 | 41.6 | Very low | 58 | Low | 246 Ų | 246 | 170.8 Ų | 170.8 | 100% | 1.212 | 86% | 0.863 | S | S | * | * | 0 | 129.5 | 0 | -76.2 | 153.2 | 173.3 | 0 | 0 | 107.4 | R3 | M1-R3 PolarHBondContact O-N 3.48Š| |||
| 2 | K | 57.1 | Low | 58.1 | Low | 210 Ų | 210 | 174.9 Ų | 174.9 | 91% | 0.913 | 86% | 0.863 | S | S | * | * | trans | -67.3 | 127.5 | -166.9 | -67.5 | 176.6 | 177.3 | 176.9 | 0 | 110.5 | ||||
| 3 | R | 54.3 | Low | 58.5 | Low | 243 Ų | 243 | 174.8 Ų | 174.8 | 92% | 0.917 | 86% | 0.859 | S | S | * | * | trans | -80.4 | 113.5 | 175.2 | -166.2 | 177.2 | -156.7 | 151.7 | 3.6 | 107.4 | M1 | M1-R3 PolarHBondContact O-N 3.48Š| ||
| 4 | L | 62.7 | Low | 58.4 | Low | 166 Ų | 166 | 177 Ų | 177 | 87% | 0.869 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 131.4 | 169.5 | -75.6 | 160.1 | 0 | 0 | 0 | 107.7 | ||
| 5 | E | 68.5 | Low | 58.1 | Low | 173 Ų | 173 | 169 Ų | 169 | 81% | 0.808 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 148 | 175.4 | -60.5 | -145.5 | 138.6 | 0 | 0 | 110.7 | ||
| 6 | P | 66.2 | Low | 57.9 | Low | 127 Ų | 127 | 172.1 Ų | 172.1 | 83% | 0.825 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 132.1 | 176.9 | 13.4 | -3.8 | 0 | 0 | 0 | 111 | ||
| 7 | I | 62.5 | Low | 57.3 | Low | 165 Ų | 165 | 166.6 Ų | 166.6 | 85% | 0.846 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 132.6 | 174 | -71.6 | 160 | 0 | 0 | 0 | 109.7 | ||
| 8 | G | 56.9 | Low | 56.8 | Low | 58 Ų | 58 | 163.7 Ų | 163.7 | 60% | 0.598 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 154.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | D10 | G8-D10 PolarHBondContact O-N 3.41Š|
| 9 | R | 52.9 | Low | 56.9 | Low | 249 Ų | 249 | 163.5 Ų | 163.5 | 94% | 0.94 | 84% | 0.835 | S | S | * | * | trans | -63.7 | 114.4 | 178 | -64.6 | 171.2 | -176.6 | 173.1 | -1.4 | 110 | ||||
| 10 | D | 53.4 | Low | 56.8 | Low | 149 Ų | 149 | 164.4 Ų | 164.4 | 80% | 0.797 | 84% | 0.836 | S | S | * | * | trans | -86.9 | 123.2 | 163.3 | -72.8 | -23.6 | 0 | 0 | 0 | 109.2 | G8 | G8-D10 PolarHBondContact O-N 3.41Š| ||
| 11 | A | 62.1 | Low | 56.9 | Low | 93 Ų | 93 | 165.7 Ų | 165.7 | 77% | 0.769 | 84% | 0.839 | S | S | * | * | trans | -69.2 | 131.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110 | H13 | A11-H13 PolarHBondContact O-N 3.08Š| ||
| 12 | Y | 59.3 | Low | 57.4 | Low | 220 Ų | 220 | 163.4 Ų | 163.4 | 86% | 0.863 | 83% | 0.825 | S | S | * | * | trans | -61.9 | 107.5 | 170.8 | -67 | -86.1 | 0 | 0 | 0 | 109.7 | ||||
| 13 | H | 63 | Low | 57.3 | Low | 174 Ų | 174 | 157.7 Ų | 157.7 | 81% | 0.806 | 82% | 0.817 | S | S | * | * | trans | -94 | 99.2 | 168.2 | -179.2 | 63.8 | 0 | 0 | 0 | 108.2 | A11 G15 | A11-H13 PolarHBondContact O-N 3.08Å; H13-G15 PolarHBondContact O-N 3.1Å | ||
| 14 | Y | 57.2 | Low | 57.2 | Low | 205 Ų | 205 | 152.1 Ų | 152.1 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -78.4 | 102.1 | 166.6 | -97.6 | -89.7 | 0 | 0 | 0 | 108.5 | ||||
| 15 | G | 54.4 | Low | 56.1 | Low | 57 Ų | 57 | 156.3 Ų | 156.3 | 59% | 0.588 | 82% | 0.817 | S | S | * | * | trans | -89.1 | 107.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | H13 G17 | H13-G15 PolarHBondContact O-N 3.1Å; G15-G17 PolarHBondContact O-N 2.99Å | ||
| 16 | Y | 54.2 | Low | 55 | Low | 219 Ų | 219 | 152.8 Ų | 152.8 | 86% | 0.859 | 81% | 0.811 | S | S | * | * | trans | -70.7 | 106.4 | 162.9 | -92.5 | -96.8 | 0 | 0 | 0 | 108.2 | ||||
| 17 | G | 48.7 | Very low | 53.7 | Low | 78 Ų | 78 | 152.2 Ų | 152.2 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -90.2 | 98.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | G15 | G15-G17 PolarHBondContact O-N 2.99Š| ||
| 18 | S | 48 | Very low | 53.2 | Low | 114 Ų | 114 | 155 Ų | 155 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | trans | -77.3 | 106.4 | 155.2 | -69.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 19 | D | 58.3 | Low | 52.7 | Low | 160 Ų | 160 | 160 Ų | 160 | 86% | 0.856 | 82% | 0.823 | S | S | * | * | trans | -121.9 | 103.7 | 159.1 | -109.4 | -7.5 | 0 | 0 | 0 | 107 | ||||
| 20 | E | 55.4 | Low | 52.4 | Low | 181 Ų | 181 | 159.7 Ų | 159.7 | 85% | 0.846 | 82% | 0.822 | S | S | * | * | trans | -60.7 | 127.4 | 152 | -53.8 | -179.8 | 142.4 | 0 | 0 | 106.6 | ||||
| 21 | E | 57.8 | Low | 52.4 | Low | 192 Ų | 192 | 161.2 Ų | 161.2 | 90% | 0.897 | 82% | 0.824 | S | S | * | * | trans | -162.9 | 116 | 138.3 | -79.5 | -133.7 | 157.8 | 0 | 0 | 109.1 | A23 | E21-A23 PolarHBondContact O-N 2.84Š| ||
| 22 | E | 52.4 | Low | 51.9 | Low | 198 Ų | 198 | 165.9 Ų | 165.9 | 93% | 0.925 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 120.4 | 170.9 | -69.1 | 178.5 | 126.2 | 0 | 0 | 110.6 | ||
| 23 | A | 54.6 | Low | 51.2 | Low | 91 Ų | 91 | 162.7 Ų | 162.7 | 75% | 0.752 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 135.8 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | E21 | E21-A23 PolarHBondContact O-N 2.84Š|
| 24 | P | 52.8 | Low | 50.4 | Low | 125 Ų | 125 | 162.4 Ų | 162.4 | 81% | 0.812 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -75 | 138.8 | -170.6 | 29.2 | -33.8 | 0 | 0 | 0 | 112.7 | S26 | P24-S26 PolarHBondContact O-N 2.88Å; P24-S26 VanDerWaalsContact O-N 3.16Å |
| 25 | R | 40 | Very low | 50 | Low | 255 Ų | 255 | 159.1 Ų | 159.1 | 96% | 0.962 | 83% | 0.828 | S | S | * | * | trans | -60.9 | 109.5 | 174 | -63.1 | 179.3 | 177.9 | -161.6 | -1.6 | 110.3 | ||||
| 26 | S | 44.6 | Very low | 49.7 | Very low | 99 Ų | 99 | 162.9 Ų | 162.9 | 69% | 0.692 | 84% | 0.835 | S | S | * | * | trans | -95.4 | 115.5 | 164.6 | 80.8 | 0 | 0 | 0 | 0 | 109.7 | P24 R28 | P24-S26 PolarHBondContact O-N 2.88Å; P24-S26 VanDerWaalsContact O-N 3.16Å; S26-R28 PolarHBondContact O-N 2.79Å | ||
| 27 | S | 40.4 | Very low | 49.3 | Very low | 115 Ų | 115 | 163.6 Ų | 163.6 | 80% | 0.804 | 84% | 0.838 | S | S | * | * | trans | -54.1 | 112.3 | 167.1 | 50.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 28 | R | 51.4 | Low | 48.9 | Very low | 222 Ų | 222 | 166.7 Ų | 166.7 | 84% | 0.838 | 84% | 0.836 | S | S | * | * | trans | -129.6 | 117.2 | 156.5 | -81.5 | -174.6 | 174.1 | 149.8 | -0.1 | 107.6 | S26 R30 | S26-R28 PolarHBondContact O-N 2.79Å; R28-R30 PolarHBondContact O-N 2.73Å | ||
| 29 | D | 46.1 | Very low | 48.5 | Very low | 165 Ų | 165 | 164.7 Ų | 164.7 | 88% | 0.882 | 83% | 0.834 | S | S | * | * | trans | -43.6 | 115.6 | 172.3 | -52.9 | -70.3 | 0 | 0 | 0 | 109.7 | ||||
| 30 | R | 47.5 | Very low | 47.6 | Very low | 241 Ų | 241 | 163.7 Ų | 163.7 | 91% | 0.909 | 83% | 0.828 | S | S | * | * | trans | -103.2 | 98.9 | 169.9 | -171.1 | 172.1 | -178 | 137.4 | -2.2 | 106 | R28 | R28-R30 PolarHBondContact O-N 2.73Š| ||
| 31 | E | 53 | Low | 47 | Very low | 181 Ų | 181 | 165 Ų | 165 | 85% | 0.846 | 83% | 0.827 | S | S | * | * | trans | -44.2 | 137.2 | 169 | -86.3 | 167.6 | 122.1 | 0 | 0 | 110.9 | N33 | E31-N33 PolarHBondContact O-N 2.76Š| ||
| 32 | E | 51.5 | Low | 46.4 | Very low | 191 Ų | 191 | 166.3 Ų | 166.3 | 89% | 0.893 | 82% | 0.824 | S | S | * | * | trans | -57.4 | 99.1 | 173.3 | -63.7 | 167.8 | 153 | 0 | 0 | 108.8 | E34 | E32-E34 PolarHBondContact O-N 2.71Å; E32-E34 VanDerWaalsContact O-N 3.1Å | ||
| 33 | N | 43.6 | Very low | 45.6 | Very low | 153 Ų | 153 | 161.6 Ų | 161.6 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -80.9 | 83.7 | 161.8 | -105.6 | -8.8 | 0 | 0 | 0 | 107.2 | E31 V35 | E31-N33 PolarHBondContact O-N 2.76Å; N33-V35 PolarHBondContact O-N 2.75Å; N33-V35 VanDerWaalsContact O-N 3.07Å | ||
| 34 | E | 46.6 | Very low | 45.3 | Very low | 168 Ų | 168 | 163.7 Ų | 163.7 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | trans | -58.6 | 101.7 | 159.2 | -159.8 | 172.4 | -160.9 | 0 | 0 | 107 | E32 D36 | E32-E34 PolarHBondContact O-N 2.71Å; E32-E34 VanDerWaalsContact O-N 3.1Å; E34-D36 VanDerWaalsContact C-N 3.27Å; E34-D36 PolarHBondContact O-N 2.65Å | ||
| 35 | V | 48.9 | Very low | 44.8 | Very low | 136 Ų | 136 | 162.8 Ų | 162.8 | 82% | 0.824 | 82% | 0.818 | S | S | * | * | trans | -74.1 | 90.4 | 173.1 | -117.6 | 0 | 0 | 0 | 0 | 106.8 | N33 Y37 | N33-V35 PolarHBondContact O-N 2.75Å; N33-V35 VanDerWaalsContact O-N 3.07Å; V35-Y37 PolarHBondContact O-N 3.47Å | ||
| 36 | D | 48 | Very low | 44.8 | Very low | 137 Ų | 137 | 156.3 Ų | 156.3 | 73% | 0.733 | 81% | 0.812 | S | S | * | * | trans | -57 | 102.6 | 164.9 | -95.9 | -28.2 | 0 | 0 | 0 | 108.8 | E34 N38 | E34-D36 VanDerWaalsContact C-N 3.27Å; E34-D36 PolarHBondContact O-N 2.65Å; D36-N38 PolarHBondContact O-N 2.98Å | ||
| 37 | Y | 46.2 | Very low | 44.6 | Very low | 233 Ų | 233 | 156.8 Ų | 156.8 | 91% | 0.914 | 82% | 0.822 | S | S | * | * | trans | -76.1 | 61 | 169.4 | -147.2 | -93.1 | 0 | 0 | 0 | 109 | V35 | V35-Y37 PolarHBondContact O-N 3.47Š| ||
| 38 | N | 41.1 | Very low | 44.5 | Very low | 143 Ų | 143 | 154.7 Ų | 154.7 | 77% | 0.765 | 82% | 0.819 | S | S | * | * | trans | -147.5 | 72.5 | 175.1 | -133.9 | -0.1 | 0 | 0 | 0 | 110.1 | D36 | D36-N38 PolarHBondContact O-N 2.98Š| ||
| 39 | G | 38.5 | Very low | 44.1 | Very low | 73 Ų | 73 | 149.6 Ų | 149.6 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | trans | -128.5 | 76.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 40 | N | 40 | Very low | 44.5 | Very low | 139 Ų | 139 | 145.9 Ų | 145.9 | 74% | 0.743 | 82% | 0.816 | S | S | * | * | trans | 59.7 | 72.2 | 134.3 | -155.5 | 40.8 | 0 | 0 | 0 | 117.9 | R42 | N40-R42 PolarHBondContact O-N 3.24Š| ||
| 41 | Y | 42.9 | Very low | 44.9 | Very low | 208 Ų | 208 | 139 Ų | 139 | 82% | 0.816 | 80% | 0.797 | S | S | * | * | trans | -66.3 | 108.5 | 155.4 | 31 | -86.4 | 0 | 0 | 0 | 109.1 | A43 | Y41-A43 PolarHBondContact O-N 3.17Å; Y41-A43 VanDerWaalsContact O-N 3.16Å | ||
| 42 | R | 44.2 | Very low | 45.3 | Very low | 220 Ų | 220 | 138.1 Ų | 138.1 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | trans | -54.9 | 118.6 | 170.4 | -87.1 | 178.8 | 168.6 | 166.7 | -2.4 | 109.5 | N40 V44 | N40-R42 PolarHBondContact O-N 3.24Å; R42-V44 PolarHBondContact O-N 3.09Å | ||
| 43 | A | 35.1 | Very low | 46.5 | Very low | 99 Ų | 99 | 132.9 Ų | 132.9 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -58.6 | 96.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y41 | Y41-A43 PolarHBondContact O-N 3.17Å; Y41-A43 VanDerWaalsContact O-N 3.16Å | ||
| 44 | V | 48.3 | Very low | 48.2 | Very low | 135 Ų | 135 | 132 Ų | 132 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -87.9 | 110.5 | 161 | -171.6 | 0 | 0 | 0 | 0 | 106 | R42 S46 | R42-V44 PolarHBondContact O-N 3.09Å; V44-S46 PolarHBondContact O-N 2.89Å | ||
| 45 | S | 43.8 | Very low | 49.9 | Very low | 106 Ų | 106 | 129.7 Ų | 129.7 | 74% | 0.741 | 75% | 0.754 | S | S | * | * | trans | -59.3 | 131.8 | -179 | -53.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 46 | S | 39.6 | Very low | 51.8 | Low | 118 Ų | 118 | 127.1 Ų | 127.1 | 83% | 0.825 | 74% | 0.736 | S | S | * | * | S | Bend | trans | 54.4 | 86.3 | 135.6 | -174.3 | 0 | 0 | 0 | 0 | 117.2 | V44 | V44-S46 PolarHBondContact O-N 2.89Š|
| 47 | A | 39.8 | Very low | 53.7 | Low | 109 Ų | 109 | 123.1 Ų | 123.1 | 90% | 0.901 | 72% | 0.722 | S | S | * | * | S | Bend | trans | 169.6 | 104.8 | 132.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 48 | G | 39.5 | Very low | 55.7 | Low | 72 Ų | 72 | 117.6 Ų | 117.6 | 74% | 0.742 | 70% | 0.704 | S | S | * | * | trans | 120.4 | 63.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | A50 | G48-A50 PolarHBondContact O-N 3.3Š| ||
| 49 | A | 42 | Very low | 58.1 | Low | 115 Ų | 115 | 115.1 Ų | 115.1 | 95% | 0.95 | 69% | 0.689 | S | S | * | * | trans | -71.4 | 77.3 | 159.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 50 | A | 53.7 | Low | 60.5 | Low | 87 Ų | 87 | 117.5 Ų | 117.5 | 72% | 0.719 | 68% | 0.681 | S | S | * | * | trans | -86.7 | 134.1 | 170 | 0 | 0 | 0 | 0 | 0 | 108.2 | G48 F52 | G48-A50 PolarHBondContact O-N 3.3Å; A50-F52 PolarHBondContact O-N 3.22Å | ||
| 51 | D | 57.6 | Low | 62.9 | Low | 96 Ų | 96 | 116.3 Ų | 116.3 | 51% | 0.513 | 68% | 0.675 | S | S | . | * | trans | -65.5 | 101.1 | -159.2 | -163.9 | -9.9 | 0 | 0 | 0 | 113.4 | S53 E54 | D51-S53 PolarHBondContact O-N 2.67Å; D51-S53 WeakPolarHBondContact OD1-CB 3.43Å; D51-S53 PolarHBondContact OD1-N 2.99Å; D51-S53 VanDerWaalsContact OD1-N 3.13Å; D51-S53 PolarHBondContact OD1-OG 3.39Å; D51-E54 HydrophobicContact CB-CB 4.4Å; D51-E54 PolarHBondContact OD1-N 2.7Å | ||
| 52 | F | 60.9 | Low | 65.1 | Low | 162 Ų | 162 | 112.6 Ų | 112.6 | 71% | 0.711 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -73.5 | -16.6 | 173.7 | -125.6 | -94.9 | 0 | 0 | 0 | 112 | A50 D56 | A50-F52 PolarHBondContact O-N 3.22Å; F52-D56 PolarHBondContact O-N 3.2Å |
| 53 | S | 75.6 | Confident | 67.2 | Low | 81 Ų | 81 | 106.3 Ų | 106.3 | 57% | 0.566 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -75.2 | -23.4 | 177.7 | 20.5 | 0 | 0 | 0 | 0 | 113.6 | D51 A57 | D51-S53 PolarHBondContact O-N 2.67Å; D51-S53 WeakPolarHBondContact OD1-CB 3.43Å; D51-S53 PolarHBondContact OD1-N 2.99Å; D51-S53 VanDerWaalsContact OD1-N 3.13Å; D51-S53 PolarHBondContact OD1-OG 3.39Å; S53-A57 VanDerWaalsContact O-CB 3.22Å; S53-A57 WeakPolarHBondContact O-CB 3.22Å; S53-A57 PolarHBondContact O-N 3.22Å; S53-A57 VanDerWaalsContact O-N 3.14Å |
| 54 | E | 80.4 | Confident | 69.6 | Low | 136 Ų | 136 | 105.8 Ų | 105.8 | 64% | 0.636 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -69.6 | -40.3 | 176.8 | -169.8 | 170.7 | -170.9 | 0 | 0 | 111.4 | D51 E58 | D51-E54 HydrophobicContact CB-CB 4.4Å; D51-E54 PolarHBondContact OD1-N 2.7Å; E54-E58 WeakPolarHBondContact O-CB 3.35Å; E54-E58 PolarHBondContact O-N 2.99Å |
| 55 | F | 81.1 | Confident | 71.4 | Confident | 119 Ų | 119 | 103.5 Ų | 103.5 | 52% | 0.522 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -67.4 | -46.9 | 177.7 | 179.2 | -102.5 | 0 | 0 | 0 | 112.7 | A57 E58 M59 | F55-A57 VanDerWaalsContact C-N 3.3Å; F55-A57 PolarHBondContact O-N 3.03Å; F55-E58 PolarHBondContact O-N 3.42Å; F55-M59 HydrophobicContact CD1-CE 4.18Å; F55-M59 HydrophobicContact CE1-CE 3.34Å; F55-M59 HydrophobicContact CZ-CE 3.64Å; F55-M59 PolarHBondContact O-N 2.89Å |
| 56 | D | 89.1 | Confident | 73.1 | Confident | 81 Ų | 81 | 104.3 Ų | 104.3 | 43% | 0.433 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -63.8 | -38.2 | 178.4 | -75.3 | -17.9 | 0 | 0 | 0 | 111.2 | F52 M59 Q60 | F52-D56 PolarHBondContact O-N 3.2Å; D56-M59 PolarHBondContact O-N 3.41Å; D56-Q60 PolarHBondContact O-N 3.33Å |
| 57 | A | 88.8 | Confident | 74.8 | Confident | 54 Ų | 54 | 105.1 Ų | 105.1 | 45% | 0.446 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -68.4 | -39.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | S53 F55 Q60 N61 | S53-A57 VanDerWaalsContact O-CB 3.22Å; S53-A57 WeakPolarHBondContact O-CB 3.22Å; S53-A57 PolarHBondContact O-N 3.22Å; S53-A57 VanDerWaalsContact O-N 3.14Å; F55-A57 VanDerWaalsContact C-N 3.3Å; F55-A57 PolarHBondContact O-N 3.03Å; A57-Q60 PolarHBondContact O-N 3.46Å; A57-N61 WeakPolarHBondContact O-CB 3.36Å; A57-N61 PolarHBondContact O-N 2.8Å |
| 58 | E | 88.8 | Confident | 76.1 | Confident | 116 Ų | 116 | 105.1 Ų | 105.1 | 54% | 0.542 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.3 | -46.2 | 174.6 | -173.4 | 172.4 | -151.7 | 0 | 0 | 110.8 | E54 F55 Q60 N61 E62 | E54-E58 WeakPolarHBondContact O-CB 3.35Å; E54-E58 PolarHBondContact O-N 2.99Å; F55-E58 PolarHBondContact O-N 3.42Å; E58-Q60 PolarHBondContact O-N 3.04Å; E58-N61 WeakPolarHBondContact O-CB 3.45Å; E58-N61 PolarHBondContact O-N 3.06Å; E58-N61 VanDerWaalsContact O-N 3.16Å; E58-E62 PolarHBondContact O-N 3.07Å |
| 59 | M | 89.7 | Confident | 77.5 | Confident | 91 Ų | 91 | 104.8 Ų | 104.8 | 45% | 0.448 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -58.1 | -47.1 | 175.9 | -173 | -172.8 | -56.1 | 0 | 0 | 111.8 | F55 D56 N61 E62 L63 | F55-M59 HydrophobicContact CD1-CE 4.18Å; F55-M59 HydrophobicContact CE1-CE 3.34Å; F55-M59 HydrophobicContact CZ-CE 3.64Å; F55-M59 PolarHBondContact O-N 2.89Å; D56-M59 PolarHBondContact O-N 3.41Å; M59-N61 VanDerWaalsContact C-N 3.28Å; M59-N61 PolarHBondContact O-N 3.44Å; M59-E62 PolarHBondContact O-N 3.22Å; M59-L63 WeakPolarHBondContact O-CB 3.42Å; M59-L63 PolarHBondContact O-N 3.32Å |
| 60 | Q | 89.6 | Confident | 78.3 | Confident | 124 Ų | 124 | 103.4 Ų | 103.4 | 58% | 0.579 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.8 | -36.3 | 179 | -136.2 | 97.6 | 25.6 | 0 | 0 | 112.1 | D56 A57 E58 N64 | D56-Q60 PolarHBondContact O-N 3.33Å; A57-Q60 PolarHBondContact O-N 3.46Å; E58-Q60 PolarHBondContact O-N 3.04Å; Q60-N64 WeakPolarHBondContact O-CB 3.35Å; Q60-N64 PolarHBondContact O-N 3.23Å; Q60-N64 PolarHBondContact O-ND2 3.14Å |
| 61 | N | 91.3 | Very high | 78.5 | Confident | 114 Ų | 114 | 104.7 Ų | 104.7 | 61% | 0.61 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -68.8 | -42.1 | 177.2 | -96.6 | -9.4 | 0 | 0 | 0 | 112.4 | A57 E58 M59 L63 N64 S65 | A57-N61 WeakPolarHBondContact O-CB 3.36Å; A57-N61 PolarHBondContact O-N 2.8Å; E58-N61 WeakPolarHBondContact O-CB 3.45Å; E58-N61 PolarHBondContact O-N 3.06Å; E58-N61 VanDerWaalsContact O-N 3.16Å; M59-N61 VanDerWaalsContact C-N 3.28Å; M59-N61 PolarHBondContact O-N 3.44Å; N61-L63 VanDerWaalsContact C-N 3.33Å; N61-N64 PolarHBondContact O-N 3Å; N61-S65 VanDerWaalsContact O-CB 3.26Å; N61-S65 WeakPolarHBondContact O-CB 3.46Å; N61-S65 PolarHBondContact O-N 3.38Å |
| 62 | E | 88.6 | Confident | 78.5 | Confident | 130 Ų | 130 | 102.2 Ų | 102.2 | 61% | 0.607 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.7 | -42.5 | 175 | -70.5 | -166.1 | 162.9 | 0 | 0 | 111.3 | E58 M59 S65 L66 | E58-E62 PolarHBondContact O-N 3.07Å; M59-E62 PolarHBondContact O-N 3.22Å; E62-S65 PolarHBondContact O-N 2.65Å; E62-L66 PolarHBondContact O-N 3.1Å |
| 63 | L | 87.6 | Confident | 78 | Confident | 87 Ų | 87 | 103 Ų | 103 | 46% | 0.455 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.6 | -50.5 | 176.3 | -131.4 | 147.8 | 0 | 0 | 0 | 111 | M59 N61 S65 L66 Y67 | M59-L63 WeakPolarHBondContact O-CB 3.42Å; M59-L63 PolarHBondContact O-N 3.32Å; N61-L63 VanDerWaalsContact C-N 3.33Å; L63-S65 VanDerWaalsContact C-N 3.32Å; L63-S65 PolarHBondContact O-N 3.22Å; L63-L66 PolarHBondContact O-N 3.49Å; L63-Y67 HydrophobicContact CD2-CD2 3.71Å; L63-Y67 HydrophobicContact CD2-CE2 3.57Å; L63-Y67 HydrophobicContact CG-CE2 4.47Å; L63-Y67 VanDerWaalsContact O-CD2 3.3Å; L63-Y67 WeakPolarHBondContact O-CD2 3.38Å; L63-Y67 PolarHBondContact O-N 2.72Å; L63-Y67 VanDerWaalsContact O-N 3.1Å |
| 64 | N | 86.1 | Confident | 76.8 | Confident | 89 Ų | 89 | 104.8 Ų | 104.8 | 48% | 0.476 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.1 | -39.3 | 176.9 | -79.2 | -21.5 | 0 | 0 | 0 | 112.5 | Q60 N61 L66 Y67 Q68 | Q60-N64 WeakPolarHBondContact O-CB 3.35Å; Q60-N64 PolarHBondContact O-N 3.23Å; Q60-N64 PolarHBondContact O-ND2 3.14Å; N61-N64 PolarHBondContact O-N 3Å; N64-L66 VanDerWaalsContact C-N 3.3Å; N64-L66 PolarHBondContact O-N 2.87Å; N64-Y67 PolarHBondContact O-N 2.86Å; N64-Q68 VanDerWaalsContact O-CB 3.3Å; N64-Q68 WeakPolarHBondContact O-CB 3.43Å; N64-Q68 WeakPolarHBondContact O-CG 3.49Å; N64-Q68 PolarHBondContact O-N 3.04Å |
| 65 | S | 85 | Confident | 75.2 | Confident | 87 Ų | 87 | 104.3 Ų | 104.3 | 61% | 0.608 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.2 | -35.2 | 177.1 | -173.2 | 0 | 0 | 0 | 0 | 112.7 | N61 E62 L63 P69 | N61-S65 VanDerWaalsContact O-CB 3.26Å; N61-S65 WeakPolarHBondContact O-CB 3.46Å; N61-S65 PolarHBondContact O-N 3.38Å; E62-S65 PolarHBondContact O-N 2.65Å; L63-S65 VanDerWaalsContact C-N 3.32Å; L63-S65 PolarHBondContact O-N 3.22Å; S65-P69 WeakPolarHBondContact O-CD 3.38Å; S65-P69 WeakPolarHBondContact O-CG 3.41Å |
| 66 | L | 80.8 | Confident | 73.6 | Confident | 123 Ų | 123 | 108.1 Ų | 108.1 | 64% | 0.644 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -73.4 | -37.3 | 178 | -124.1 | 155.5 | 0 | 0 | 0 | 112.6 | E62 L63 N64 | E62-L66 PolarHBondContact O-N 3.1Å; L63-L66 PolarHBondContact O-N 3.49Å; N64-L66 VanDerWaalsContact C-N 3.3Å; N64-L66 PolarHBondContact O-N 2.87Å |
| 67 | Y | 74.7 | Confident | 71.4 | Confident | 134 Ų | 134 | 109.7 Ų | 109.7 | 53% | 0.525 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -88.3 | -32.4 | -175 | -82.5 | -95.9 | 0 | 0 | 0 | 114.3 | L63 N64 P69 L70 E71 | L63-Y67 HydrophobicContact CD2-CD2 3.71Å; L63-Y67 HydrophobicContact CD2-CE2 3.57Å; L63-Y67 HydrophobicContact CG-CE2 4.47Å; L63-Y67 VanDerWaalsContact O-CD2 3.3Å; L63-Y67 WeakPolarHBondContact O-CD2 3.38Å; L63-Y67 PolarHBondContact O-N 2.72Å; L63-Y67 VanDerWaalsContact O-N 3.1Å; N64-Y67 PolarHBondContact O-N 2.86Å; Y67-P69 VanDerWaalsContact C-CD 3.46Å; Y67-L70 WeakPolarHBondContact O-CA 3.35Å; Y67-L70 WeakPolarHBondContact O-CB 3.06Å; Y67-L70 PolarHBondContact O-N 3.26Å; Y67-E71 PolarHBondContact O-N 3.02Å; Y67-E71 VanDerWaalsContact O-N 3.07Å |
| 68 | Q | 66.7 | Low | 69.4 | Low | 110 Ų | 110 | 111 Ų | 111 | 51% | 0.514 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -53.3 | -40.6 | 178.6 | -78 | -86.2 | -28.2 | 0 | 0 | 114.7 | N64 L70 S72 | N64-Q68 VanDerWaalsContact O-CB 3.3Å; N64-Q68 WeakPolarHBondContact O-CB 3.43Å; N64-Q68 WeakPolarHBondContact O-CG 3.49Å; N64-Q68 PolarHBondContact O-N 3.04Å; Q68-L70 VanDerWaalsContact C-N 3.31Å; Q68-L70 PolarHBondContact O-N 3.23Å; Q68-S72 PolarHBondContact O-N 3.38Å; Q68-S72 PolarHBondContact O-OG 3.16Å; Q68-S72 VanDerWaalsContact O-OG 3.05Å |
| 69 | P | 69.7 | Low | 67 | Low | 65 Ų | 65 | 112.9 Ų | 112.9 | 42% | 0.422 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -70.4 | -24.8 | 174.9 | -17.4 | 31 | 0 | 0 | 0 | 113.6 | S65 Y67 R73 | S65-P69 WeakPolarHBondContact O-CD 3.38Å; S65-P69 WeakPolarHBondContact O-CG 3.41Å; Y67-P69 VanDerWaalsContact C-CD 3.46Å; P69-R73 WeakPolarHBondContact O-CG 3.42Å; P69-R73 PolarHBondContact O-N 3.1Å |
| 70 | L | 58.8 | Low | 64.4 | Low | 86 Ų | 86 | 113.2 Ų | 113.2 | 45% | 0.45 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -77 | -44.3 | 178.6 | -63.4 | 173.6 | 0 | 0 | 0 | 110.3 | Y67 Q68 S72 R73 V74 | Y67-L70 WeakPolarHBondContact O-CA 3.35Å; Y67-L70 WeakPolarHBondContact O-CB 3.06Å; Y67-L70 PolarHBondContact O-N 3.26Å; Q68-L70 VanDerWaalsContact C-N 3.31Å; Q68-L70 PolarHBondContact O-N 3.23Å; L70-S72 VanDerWaalsContact C-N 3.3Å; L70-S72 PolarHBondContact O-N 3.3Å; L70-R73 PolarHBondContact O-N 3.28Å; L70-V74 WeakPolarHBondContact O-CG2 3.36Å; L70-V74 PolarHBondContact O-N 3.24Å; L70-V74 VanDerWaalsContact O-N 3.14Å |
| 71 | E | 58.5 | Low | 62.1 | Low | 114 Ų | 114 | 113.3 Ų | 113.3 | 53% | 0.533 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -60.5 | -40.6 | 174.3 | -66.8 | -178.5 | 162.2 | 0 | 0 | 111.7 | Y67 R73 V74 I75 | Y67-E71 PolarHBondContact O-N 3.02Å; Y67-E71 VanDerWaalsContact O-N 3.07Å; E71-R73 VanDerWaalsContact C-N 3.27Å; E71-R73 PolarHBondContact O-N 3.33Å; E71-V74 PolarHBondContact O-N 2.77Å; E71-I75 PolarHBondContact O-N 3.06Å |
| 72 | S | 56.1 | Low | 59.6 | Low | 43 Ų | 43 | 111.3 Ų | 111.3 | 30% | 0.301 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -66.3 | -25.5 | 175.8 | -65.9 | 0 | 0 | 0 | 0 | 113.6 | Q68 L70 R76 | Q68-S72 PolarHBondContact O-N 3.38Å; Q68-S72 PolarHBondContact O-OG 3.16Å; Q68-S72 VanDerWaalsContact O-OG 3.05Å; L70-S72 VanDerWaalsContact C-N 3.3Å; L70-S72 PolarHBondContact O-N 3.3Å; S72-R76 WeakPolarHBondContact O-CB 3.49Å; S72-R76 VanDerWaalsContact O-CD 3.25Å; S72-R76 WeakPolarHBondContact O-CD 3.35Å; S72-R76 WeakPolarHBondContact O-CG 3.3Å; S72-R76 PolarHBondContact O-N 3.43Å |
| 73 | R | 52.3 | Low | 57 | Low | 178 Ų | 178 | 112.3 Ų | 112.3 | 67% | 0.672 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -83.3 | -30.5 | 178.1 | -81.4 | 174.5 | -179.5 | 174.3 | 2.3 | 112.5 | P69 L70 E71 I75 R76 S77 | P69-R73 WeakPolarHBondContact O-CG 3.42Å; P69-R73 PolarHBondContact O-N 3.1Å; L70-R73 PolarHBondContact O-N 3.28Å; E71-R73 VanDerWaalsContact C-N 3.27Å; E71-R73 PolarHBondContact O-N 3.33Å; R73-I75 VanDerWaalsContact C-N 3.29Å; R73-I75 PolarHBondContact O-N 3.06Å; R73-R76 PolarHBondContact O-N 2.88Å; R73-S77 PolarHBondContact O-OG 2.74Å |
| 74 | V | 48.7 | Very low | 55 | Low | 119 Ų | 119 | 116.9 Ų | 116.9 | 72% | 0.721 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -66 | -34.8 | 173.8 | 177.9 | 0 | 0 | 0 | 0 | 110.7 | L70 E71 | L70-V74 WeakPolarHBondContact O-CG2 3.36Å; L70-V74 PolarHBondContact O-N 3.24Å; L70-V74 VanDerWaalsContact O-N 3.14Å; E71-V74 PolarHBondContact O-N 2.77Å |
| 75 | I | 48.5 | Very low | 52.5 | Low | 127 Ų | 127 | 117.2 Ų | 117.2 | 65% | 0.651 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -86 | -20.9 | -179.6 | -58.7 | 177.1 | 0 | 0 | 0 | 113.1 | E71 R73 S78 | E71-I75 PolarHBondContact O-N 3.06Å; R73-I75 VanDerWaalsContact C-N 3.29Å; R73-I75 PolarHBondContact O-N 3.06Å; I75-S78 PolarHBondContact O-OG 3.34Å |
| 76 | R | 45.7 | Very low | 50.4 | Low | 198 Ų | 198 | 120.8 Ų | 120.8 | 75% | 0.747 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -86.4 | -5.5 | -174.9 | -77.8 | 174.7 | -163.5 | -158.8 | 6 | 115.6 | S72 R73 S78 | S72-R76 WeakPolarHBondContact O-CB 3.49Å; S72-R76 VanDerWaalsContact O-CD 3.25Å; S72-R76 WeakPolarHBondContact O-CD 3.35Å; S72-R76 WeakPolarHBondContact O-CG 3.3Å; S72-R76 PolarHBondContact O-N 3.43Å; R73-R76 PolarHBondContact O-N 2.88Å; R76-S78 VanDerWaalsContact C-N 3.33Å |
| 77 | S | 44.3 | Very low | 48.4 | Very low | 114 Ų | 114 | 121.2 Ų | 121.2 | 80% | 0.797 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -2.7 | -179.9 | -59.3 | 0 | 0 | 0 | 0 | 113.9 | R73 | R73-S77 PolarHBondContact O-OG 2.74Š|
| 78 | S | 45.9 | Very low | 47 | Very low | 83 Ų | 83 | 121.6 Ų | 121.6 | 58% | 0.58 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -110.8 | -9.5 | -172.4 | 49.5 | 0 | 0 | 0 | 0 | 116.6 | I75 R76 | I75-S78 PolarHBondContact O-OG 3.34Å; R76-S78 VanDerWaalsContact C-N 3.33Å |
| 79 | N | 37.7 | Very low | 45.9 | Very low | 155 Ų | 155 | 125 Ų | 125 | 83% | 0.829 | 71% | 0.708 | S | S | * | * | trans | -138.4 | 82.1 | -173.8 | -81.8 | -29.4 | 0 | 0 | 0 | 114.5 | ||||
| 80 | A | 35.2 | Very low | 44.5 | Very low | 98 Ų | 98 | 128.8 Ų | 128.8 | 81% | 0.81 | 73% | 0.725 | S | S | * | * | trans | -104.9 | 94.4 | 156.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 81 | S | 42.8 | Very low | 43.7 | Very low | 126 Ų | 126 | 132.5 Ų | 132.5 | 88% | 0.881 | 75% | 0.745 | S | S | * | * | trans | 164.3 | 118.8 | 146.8 | -75.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 82 | G | 37.3 | Very low | 43.5 | Very low | 71 Ų | 71 | 134.8 Ų | 134.8 | 73% | 0.732 | 76% | 0.76 | S | S | * | * | trans | 88 | 94.3 | 134.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 83 | N | 35 | Very low | 43.1 | Very low | 151 Ų | 151 | 139.6 Ų | 139.6 | 81% | 0.807 | 78% | 0.782 | S | S | * | * | 57.3 | 123.5 | 126.4 | -67.6 | -19.6 | 0 | 0 | 0 | 122.9 | |||||
| 84 | Q | 44.4 | Very low | 43.2 | Very low | 183 Ų | 183 | 138.6 Ų | 138.6 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | trans | 87.2 | 118.8 | 139.4 | -69.1 | -179.7 | 52 | 0 | 0 | 120.2 | ||||
| 85 | A | 34.5 | Very low | 43 | Very low | 97 Ų | 97 | 139.8 Ų | 139.8 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | trans | -26 | 135.2 | 162.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 86 | D | 41.6 | Very low | 43.2 | Very low | 161 Ų | 161 | 141.4 Ų | 141.4 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | -160 | 151.5 | 116.2 | -138.6 | -21.8 | 0 | 0 | 0 | 110.9 | |||||
| 87 | T | 39 | Very low | 43.3 | Very low | 132 Ų | 132 | 135.6 Ų | 135.6 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | trans | -84.7 | 116.4 | -178.1 | -53.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 88 | D | 43.6 | Very low | 43.8 | Very low | 143 Ų | 143 | 137.4 Ų | 137.4 | 77% | 0.765 | 79% | 0.792 | S | S | * | * | trans | -153.6 | 144.2 | 158.9 | -125.9 | -21 | 0 | 0 | 0 | 113.8 | N90 | D88-N90 PolarHBondContact O-N 3.16Š| ||
| 89 | Q | 43.8 | Very low | 44.2 | Very low | 182 Ų | 182 | 140.8 Ų | 140.8 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | trans | -62.9 | 107.8 | -171.9 | -59.4 | 174 | -2.8 | 0 | 0 | 110.5 | ||||
| 90 | N | 41.8 | Very low | 45 | Very low | 143 Ų | 143 | 142.6 Ų | 142.6 | 77% | 0.765 | 80% | 0.799 | S | S | * | * | trans | -128.3 | 109.2 | 168.4 | -84.5 | -33.6 | 0 | 0 | 0 | 110 | D88 L92 | D88-N90 PolarHBondContact O-N 3.16Å; N90-L92 PolarHBondContact O-N 2.87Å | ||
| 91 | N | 42 | Very low | 46 | Very low | 164 Ų | 164 | 143.2 Ų | 143.2 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | trans | -42.3 | 103.6 | 154.9 | -95.4 | -55.5 | 0 | 0 | 0 | 108.3 | D93 | N91-D93 PolarHBondContact O-N 2.79Š| ||
| 92 | L | 52.7 | Low | 46.7 | Very low | 162 Ų | 162 | 141.3 Ų | 141.3 | 85% | 0.848 | 77% | 0.772 | S | S | * | * | trans | -76.5 | 78.6 | 161.8 | -82.4 | 154.8 | 0 | 0 | 0 | 106 | N90 L94 | N90-L92 PolarHBondContact O-N 2.87Å; L92-L94 VanDerWaalsContact C-N 3.35Å; L92-L94 PolarHBondContact O-N 2.82Å | ||
| 93 | D | 47.4 | Very low | 47.9 | Very low | 144 Ų | 144 | 140.6 Ų | 140.6 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | trans | -55 | 107.2 | 160.4 | -152.7 | 5.4 | 0 | 0 | 0 | 105.1 | N91 N95 | N91-D93 PolarHBondContact O-N 2.79Å; D93-N95 PolarHBondContact O-N 2.92Å | ||
| 94 | L | 55.6 | Low | 49.3 | Very low | 157 Ų | 157 | 139.3 Ų | 139.3 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | trans | -63.1 | 88.8 | 173.6 | -71.5 | 168.8 | 0 | 0 | 0 | 105.4 | L92 L96 | L92-L94 VanDerWaalsContact C-N 3.35Å; L92-L94 PolarHBondContact O-N 2.82Å; L94-L96 PolarHBondContact O-N 2.98Å | ||
| 95 | N | 43.8 | Very low | 50.1 | Low | 145 Ų | 145 | 136.5 Ų | 136.5 | 78% | 0.775 | 74% | 0.736 | S | S | * | * | trans | -69.5 | 73.5 | 168.5 | -161.5 | 7.7 | 0 | 0 | 0 | 106.5 | D93 S97 | D93-N95 PolarHBondContact O-N 2.92Å; N95-S97 PolarHBondContact O-N 3.29Å | ||
| 96 | L | 53 | Low | 51.4 | Low | 161 Ų | 161 | 137 Ų | 137 | 84% | 0.843 | 72% | 0.722 | S | S | * | * | trans | -68.9 | 73.5 | 164.8 | -161.4 | 78.7 | 0 | 0 | 0 | 104.8 | L94 D98 | L94-L96 PolarHBondContact O-N 2.98Å; L96-D98 PolarHBondContact O-N 3.15Å | ||
| 97 | S | 48.9 | Very low | 52.3 | Low | 75 Ų | 75 | 134.9 Ų | 134.9 | 52% | 0.524 | 71% | 0.705 | S | S | . | * | trans | -60.3 | 131.1 | 170.4 | 50.9 | 0 | 0 | 0 | 0 | 107 | N95 E99 | N95-S97 PolarHBondContact O-N 3.29Å; S97-E99 PolarHBondContact O-N 2.87Å | ||
| 98 | D | 53.3 | Low | 53.3 | Low | 153 Ų | 153 | 131.9 Ų | 131.9 | 82% | 0.818 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -62.9 | 40.2 | -173 | -135.2 | -0.3 | 0 | 0 | 0 | 113.8 | L96 | L96-D98 PolarHBondContact O-N 3.15Š|
| 99 | E | 54.6 | Low | 54.1 | Low | 154 Ų | 154 | 129.6 Ų | 129.6 | 72% | 0.72 | 68% | 0.675 | S | S | * | * | trans | -108.9 | 21.4 | -178 | -158.2 | 158.4 | 174.7 | 0 | 0 | 111.1 | S97 T101 | S97-E99 PolarHBondContact O-N 2.87Å; E99-T101 VanDerWaalsContact C-N 3.26Å | ||
| 100 | F | 54.4 | Low | 54.8 | Low | 193 Ų | 193 | 128.7 Ų | 128.7 | 85% | 0.846 | 67% | 0.67 | S | S | * | * | trans | -97.1 | 37 | 168.3 | -149.1 | -93.2 | 0 | 0 | 0 | 110.8 | ||||
| 101 | T | 56.8 | Low | 55.7 | Low | 110 Ų | 110 | 127.4 Ų | 127.4 | 68% | 0.675 | 66% | 0.66 | S | S | * | * | trans | -109.7 | -1.9 | 179.4 | 52.8 | 0 | 0 | 0 | 0 | 113.1 | E99 S103 | E99-T101 VanDerWaalsContact C-N 3.26Å; T101-S103 PolarHBondContact O-N 2.97Å | ||
| 102 | L | 57.8 | Low | 56.2 | Low | 86 Ų | 86 | 122.8 Ų | 122.8 | 45% | 0.45 | 65% | 0.651 | S | S | . | * | S | Bend | trans | -71.1 | 111.7 | 163.2 | -65.8 | 177.9 | 0 | 0 | 0 | 107 | D104 E106 | L102-D104 PolarHBondContact O-N 2.78Å; L102-E106 HydrophobicContact CD2-CB 4.28Å; L102-E106 WeakPolarHBondContact CD2-OE2 3.47Å |
| 103 | S | 61.4 | Low | 56.4 | Low | 56 Ų | 56 | 120.5 Ų | 120.5 | 39% | 0.392 | 64% | 0.637 | S | S | . | * | trans | -51.7 | 139.5 | 166.9 | 178.3 | 0 | 0 | 0 | 0 | 108.1 | T101 E105 E106 | T101-S103 PolarHBondContact O-N 2.97Å; S103-E105 WeakPolarHBondContact CB-OE1 3.22Å; S103-E105 PolarHBondContact O-N 2.87Å; S103-E105 WeakPolarHBondContact OG-CG 3.3Å; S103-E105 PolarHBondContact OG-OE1 2.74Å; S103-E106 PolarHBondContact O-N 3.26Å | ||
| 104 | D | 64.4 | Low | 57 | Low | 124 Ų | 124 | 122.6 Ų | 122.6 | 66% | 0.663 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -49.4 | -21.8 | -177.3 | -73.7 | -24.7 | 0 | 0 | 0 | 113 | L102 L108 | L102-D104 PolarHBondContact O-N 2.78Å; D104-L108 WeakPolarHBondContact O-CG 3.46Å |
| 105 | E | 61.4 | Low | 56.9 | Low | 125 Ų | 125 | 118.3 Ų | 118.3 | 58% | 0.584 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -63.9 | -38 | 172.9 | 71.2 | -164.4 | 113.8 | 0 | 0 | 114.5 | S103 V109 | S103-E105 WeakPolarHBondContact CB-OE1 3.22Å; S103-E105 PolarHBondContact O-N 2.87Å; S103-E105 WeakPolarHBondContact OG-CG 3.3Å; S103-E105 PolarHBondContact OG-OE1 2.74Å; E105-V109 WeakPolarHBondContact O-CG2 3.33Å; E105-V109 PolarHBondContact O-N 2.83Å |
| 106 | E | 61.7 | Low | 57.7 | Low | 108 Ų | 108 | 116.6 Ų | 116.6 | 51% | 0.505 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -77.4 | -30.2 | -176.4 | -66.9 | -169.5 | 135.8 | 0 | 0 | 112.1 | L102 S103 E110 | L102-E106 HydrophobicContact CD2-CB 4.28Å; L102-E106 WeakPolarHBondContact CD2-OE2 3.47Å; S103-E106 PolarHBondContact O-N 3.26Å; E106-E110 PolarHBondContact O-N 2.99Å |
| 107 | F | 60.9 | Low | 58.1 | Low | 116 Ų | 116 | 115.4 Ų | 115.4 | 51% | 0.509 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -71.1 | -34.7 | 176.3 | -175.4 | -108.1 | 0 | 0 | 0 | 112.9 | Q111 | F107-Q111 PolarHBondContact O-N 3.44Å |
| 108 | L | 60.3 | Low | 58.8 | Low | 69 Ų | 69 | 116.9 Ų | 116.9 | 36% | 0.361 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -69.7 | -37.5 | 177.9 | -74.8 | 169.3 | 0 | 0 | 0 | 112.2 | D104 Q111 M113 | D104-L108 WeakPolarHBondContact O-CG 3.46Å; L108-Q111 PolarHBondContact O-N 2.93Å; L108-M113 HydrophobicContact CD2-CB 4.41Å; L108-M113 HydrophobicContact CD2-SD 4.18Å; L108-M113 PolarHBondContact O-N 3.29Å; L108-M113 VanDerWaalsContact O-O 3.11Å |
| 109 | V | 60.1 | Low | 59.2 | Low | 95 Ų | 95 | 116.7 Ų | 116.7 | 58% | 0.576 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66.5 | -38.4 | 178.3 | 175.5 | 0 | 0 | 0 | 0 | 111.4 | E105 Q111 G112 | E105-V109 WeakPolarHBondContact O-CG2 3.33Å; E105-V109 PolarHBondContact O-N 2.83Å; V109-Q111 VanDerWaalsContact C-N 3.33Å; V109-Q111 PolarHBondContact O-N 2.79Å; V109-G112 PolarHBondContact O-N 3.23Å |
| 110 | E | 59.3 | Low | 59.6 | Low | 162 Ų | 162 | 113.6 Ų | 113.6 | 76% | 0.757 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67.4 | -28.5 | 176.2 | -85.5 | -167 | 149.4 | 0 | 0 | 113.8 | E106 G112 | E106-E110 PolarHBondContact O-N 2.99Å; E110-G112 PolarHBondContact O-N 2.98Å |
| 111 | Q | 59.9 | Low | 60.3 | Low | 116 Ų | 116 | 110.5 Ų | 110.5 | 54% | 0.542 | 59% | 0.591 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.8 | 4.5 | 176.3 | -67.4 | -159.8 | 20.7 | 0 | 0 | 114 | F107 L108 V109 M113 | F107-Q111 PolarHBondContact O-N 3.44Å; L108-Q111 PolarHBondContact O-N 2.93Å; V109-Q111 VanDerWaalsContact C-N 3.33Å; V109-Q111 PolarHBondContact O-N 2.79Å; Q111-M113 HydrophobicContact CB-CG 4.38Å; Q111-M113 PolarHBondContact O-N 3.22Å |
| 112 | G | 53.4 | Low | 61.2 | Low | 67 Ų | 67 | 113.6 Ų | 113.6 | 69% | 0.691 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66.2 | 15.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | V109 E110 K114 | V109-G112 PolarHBondContact O-N 3.23Å; E110-G112 PolarHBondContact O-N 2.98Å; G112-K114 PolarHBondContact O-N 3.3Å |
| 113 | M | 56.7 | Low | 62.3 | Low | 114 Ų | 114 | 117 Ų | 117 | 56% | 0.562 | 61% | 0.61 | S | S | * | * | trans | -82.1 | 110.6 | 168.5 | -66.6 | -170.7 | 132.1 | 0 | 0 | 106.5 | L108 Q111 S115 | L108-M113 HydrophobicContact CD2-CB 4.41Å; L108-M113 HydrophobicContact CD2-SD 4.18Å; L108-M113 PolarHBondContact O-N 3.29Å; L108-M113 VanDerWaalsContact O-O 3.11Å; Q111-M113 HydrophobicContact CB-CG 4.38Å; Q111-M113 PolarHBondContact O-N 3.22Å; M113-S115 PolarHBondContact O-N 3.26Å | ||
| 114 | K | 60.3 | Low | 63.4 | Low | 189 Ų | 189 | 117.8 Ų | 117.8 | 82% | 0.822 | 61% | 0.61 | S | S | * | * | trans | -60.4 | 110.9 | 169.8 | -69.5 | 175.2 | 178.8 | 175.2 | 0 | 106.3 | G112 D116 | G112-K114 PolarHBondContact O-N 3.3Å; K114-D116 VanDerWaalsContact C-N 3.28Å; K114-D116 PolarHBondContact O-N 2.79Å | ||
| 115 | S | 53.6 | Low | 64.5 | Low | 66 Ų | 66 | 115.9 Ų | 115.9 | 46% | 0.462 | 60% | 0.604 | S | S | . | * | trans | -64.1 | 98 | 163.9 | 38.4 | 0 | 0 | 0 | 0 | 106.3 | M113 E117 | M113-S115 PolarHBondContact O-N 3.26Å; S115-E117 PolarHBondContact O-N 3.16Å; S115-E117 VanDerWaalsContact O-N 3.14Å | ||
| 116 | D | 58.9 | Low | 65.9 | Low | 110 Ų | 110 | 113 Ų | 113 | 59% | 0.588 | 60% | 0.595 | S | S | * | * | trans | -58.9 | 118.4 | 163.7 | -64.1 | -46 | 0 | 0 | 0 | 105.7 | K114 L121 | K114-D116 VanDerWaalsContact C-N 3.28Å; K114-D116 PolarHBondContact O-N 2.79Å; D116-L121 HydrophobicContact CB-CD1 4Å; D116-L121 WeakPolarHBondContact O-CD1 3.41Å | ||
| 117 | E | 61.5 | Low | 67.3 | Low | 135 Ų | 135 | 111.6 Ų | 111.6 | 63% | 0.631 | 59% | 0.591 | S | S | * | * | trans | -47.7 | 143.2 | 176 | -73.9 | -143 | 138.5 | 0 | 0 | 109.6 | S115 D119 N120 | S115-E117 PolarHBondContact O-N 3.16Å; S115-E117 VanDerWaalsContact O-N 3.14Å; E117-D119 PolarHBondContact O-N 3.36Å; E117-N120 WeakPolarHBondContact O-CA 3.41Å; E117-N120 WeakPolarHBondContact O-CB 3.14Å; E117-N120 PolarHBondContact O-N 3.01Å | ||
| 118 | P | 63.7 | Low | 68.7 | Low | 107 Ų | 107 | 112.2 Ų | 112.2 | 70% | 0.695 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -54 | -27.8 | -172.2 | 19.8 | -32.1 | 0 | 0 | 0 | 113.4 | ||
| 119 | D | 61.6 | Low | 70.3 | Confident | 149 Ų | 149 | 114.2 Ų | 114.2 | 80% | 0.797 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -78.9 | -14.4 | 177.6 | -71.6 | -9.5 | 0 | 0 | 0 | 114.1 | E117 | E117-D119 PolarHBondContact O-N 3.36Š|
| 120 | N | 64.6 | Low | 71.8 | Confident | 89 Ų | 89 | 113.1 Ų | 113.1 | 48% | 0.476 | 60% | 0.598 | S | S | . | * | G | 310 helix | trans | -94 | -6.8 | 175.5 | -77.6 | -32.7 | 0 | 0 | 0 | 113.8 | E117 L122 Y123 | E117-N120 WeakPolarHBondContact O-CA 3.41Å; E117-N120 WeakPolarHBondContact O-CB 3.14Å; E117-N120 PolarHBondContact O-N 3.01Å; N120-L122 PolarHBondContact O-N 3.08Å; N120-L122 VanDerWaalsContact O-N 3.15Å; N120-Y123 PolarHBondContact O-N 3.24Å |
| 121 | L | 68.4 | Low | 73.3 | Confident | 127 Ų | 127 | 109.1 Ų | 109.1 | 67% | 0.665 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -22.1 | -179.7 | -100 | 74.6 | 0 | 0 | 0 | 113.9 | D116 | D116-L121 HydrophobicContact CB-CD1 4Å; D116-L121 WeakPolarHBondContact O-CD1 3.41Å |
| 122 | L | 75 | Confident | 74.8 | Confident | 175 Ų | 175 | 107.2 Ų | 107.2 | 92% | 0.916 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | -13.9 | -178.4 | -62.4 | -179.9 | 0 | 0 | 0 | 113.7 | N120 | N120-L122 PolarHBondContact O-N 3.08Å; N120-L122 VanDerWaalsContact O-N 3.15Å |
| 123 | Y | 81.9 | Confident | 76.6 | Confident | 159 Ų | 159 | 110.2 Ų | 110.2 | 62% | 0.624 | 57% | 0.571 | S | S | * | * | trans | -118.2 | 106.9 | -177.1 | -178.9 | -110.8 | 0 | 0 | 0 | 110.3 | N120 P125 | N120-Y123 PolarHBondContact O-N 3.24Å; Y123-P125 HydrophobicContact CD1-CB 4.47Å; Y123-P125 HydrophobicContact CE1-CB 3.79Å; Y123-P125 VanDerWaalsContact O-CD 3.32Å; Y123-P125 WeakPolarHBondContact O-CD 3.46Å | ||
| 124 | N | 83.2 | Confident | 78.2 | Confident | 71 Ų | 71 | 112 Ų | 112 | 38% | 0.38 | 57% | 0.571 | S | S | . | * | trans | -89.4 | 109.6 | 166.5 | -179.7 | 12.8 | 0 | 0 | 0 | 108.9 | T126 D127 D130 | N124-T126 PolarHBondContact ND2-OG1 2.81Å; N124-T126 PolarHBondContact O-N 3.17Å; N124-T126 VanDerWaalsContact O-N 3.14Å; N124-T126 PolarHBondContact OD1-N 3.45Å; N124-T126 PolarHBondContact OD1-OG1 3.18Å; N124-D127 HydrophobicContact CB-CB 4.14Å; N124-D127 WeakPolarHBondContact O-CB 3.49Å; N124-D127 PolarHBondContact O-N 3.27Å; N124-D130 PolarHBondContact ND2-OD2 3.21Å | ||
| 125 | P | 88.2 | Confident | 79.7 | Confident | 85 Ų | 85 | 104.7 Ų | 104.7 | 55% | 0.552 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -13.3 | 177 | 27.6 | -34.9 | 0 | 0 | 0 | 113.3 | Y123 | Y123-P125 HydrophobicContact CD1-CB 4.47Å; Y123-P125 HydrophobicContact CE1-CB 3.79Å; Y123-P125 VanDerWaalsContact O-CD 3.32Å; Y123-P125 WeakPolarHBondContact O-CD 3.46Å |
| 126 | T | 91 | Very high | 81.4 | Confident | 63 Ų | 63 | 103.3 Ų | 103.3 | 39% | 0.387 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 5.2 | 178.6 | 69.3 | 0 | 0 | 0 | 0 | 114.2 | N124 D128 E129 D130 | N124-T126 PolarHBondContact ND2-OG1 2.81Å; N124-T126 PolarHBondContact O-N 3.17Å; N124-T126 VanDerWaalsContact O-N 3.14Å; N124-T126 PolarHBondContact OD1-N 3.45Å; N124-T126 PolarHBondContact OD1-OG1 3.18Å; T126-D128 VanDerWaalsContact C-N 3.26Å; T126-D128 PolarHBondContact O-N 2.98Å; T126-E129 VanDerWaalsContact CA-OE2 3.25Å; T126-E129 WeakPolarHBondContact CA-OE2 3.24Å; T126-E129 PolarHBondContact O-N 3.28Å; T126-E129 VanDerWaalsContact O-N 3.1Å; T126-D130 WeakPolarHBondContact O-CB 3.22Å; T126-D130 VanDerWaalsContact O-CG 3.25Å; T126-D130 PolarHBondContact O-N 2.82Å; T126-D130 PolarHBondContact OG1-OD2 2.78Å |
| 127 | D | 90.9 | Very high | 82.9 | Confident | 80 Ų | 80 | 103.3 Ų | 103.3 | 43% | 0.428 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.4 | -39.1 | -173.1 | -161.2 | 50.9 | 0 | 0 | 0 | 112 | N124 D130 N131 | N124-D127 HydrophobicContact CB-CB 4.14Å; N124-D127 WeakPolarHBondContact O-CB 3.49Å; N124-D127 PolarHBondContact O-N 3.27Å; D127-D130 PolarHBondContact O-N 3.38Å; D127-N131 WeakPolarHBondContact O-CB 3.28Å; D127-N131 PolarHBondContact O-N 3.31Å; D127-N131 PolarHBondContact O-ND2 3.38Å; D127-N131 PolarHBondContact OD2-ND2 3.41Å |
| 128 | D | 90.7 | Very high | 84.3 | Confident | 129 Ų | 129 | 99 Ų | 99 | 69% | 0.69 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.2 | -43.7 | 176.6 | -74.8 | -19.7 | 0 | 0 | 0 | 111.7 | T126 Q132 | T126-D128 VanDerWaalsContact C-N 3.26Å; T126-D128 PolarHBondContact O-N 2.98Å; D128-Q132 VanDerWaalsContact O-CB 3.31Å; D128-Q132 WeakPolarHBondContact O-CB 3.33Å; D128-Q132 PolarHBondContact O-N 2.88Å |
| 129 | E | 93.6 | Very high | 85.6 | Confident | 111 Ų | 111 | 94.4 Ų | 94.4 | 52% | 0.519 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.8 | -42.7 | 175.8 | -69.8 | 82 | -175.1 | 0 | 0 | 112.2 | T126 Q132 M133 | T126-E129 VanDerWaalsContact CA-OE2 3.25Å; T126-E129 WeakPolarHBondContact CA-OE2 3.24Å; T126-E129 PolarHBondContact O-N 3.28Å; T126-E129 VanDerWaalsContact O-N 3.1Å; E129-Q132 PolarHBondContact O-N 2.78Å; E129-M133 WeakPolarHBondContact O-CB 3.46Å; E129-M133 VanDerWaalsContact O-CG 3.26Å; E129-M133 WeakPolarHBondContact O-CG 3.48Å; E129-M133 PolarHBondContact O-N 2.84Å |
| 130 | D | 92.7 | Very high | 86.9 | Confident | 72 Ų | 72 | 91.2 Ų | 91.2 | 39% | 0.385 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.4 | -43.4 | 179.3 | -68 | -35.1 | 0 | 0 | 0 | 110.7 | N124 T126 D127 M133 W134 | N124-D130 PolarHBondContact ND2-OD2 3.21Å; T126-D130 WeakPolarHBondContact O-CB 3.22Å; T126-D130 VanDerWaalsContact O-CG 3.25Å; T126-D130 PolarHBondContact O-N 2.82Å; T126-D130 PolarHBondContact OG1-OD2 2.78Å; D127-D130 PolarHBondContact O-N 3.38Å; D130-M133 PolarHBondContact O-N 2.87Å; D130-W134 PolarHBondContact O-N 2.78Å |
| 131 | N | 90.7 | Very high | 88 | Confident | 77 Ų | 77 | 90.9 Ų | 90.9 | 41% | 0.412 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63 | -45.3 | 174.6 | -73.7 | -32.4 | 0 | 0 | 0 | 111.6 | D127 M133 W134 I135 | D127-N131 WeakPolarHBondContact O-CB 3.28Å; D127-N131 PolarHBondContact O-N 3.31Å; D127-N131 PolarHBondContact O-ND2 3.38Å; D127-N131 PolarHBondContact OD2-ND2 3.41Å; N131-M133 VanDerWaalsContact C-N 3.31Å; N131-M133 PolarHBondContact O-N 3.31Å; N131-W134 PolarHBondContact O-N 2.92Å; N131-I135 WeakPolarHBondContact O-CG1 3.33Å; N131-I135 PolarHBondContact O-N 3Å |
| 132 | Q | 90.3 | Very high | 88.7 | Confident | 77 Ų | 77 | 87.6 Ų | 87.6 | 36% | 0.36 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.6 | -41.1 | 176.2 | 179.9 | 59 | 36.2 | 0 | 0 | 111.5 | D128 E129 I135 D136 | D128-Q132 VanDerWaalsContact O-CB 3.31Å; D128-Q132 WeakPolarHBondContact O-CB 3.33Å; D128-Q132 PolarHBondContact O-N 2.88Å; E129-Q132 PolarHBondContact O-N 2.78Å; Q132-I135 PolarHBondContact O-N 3.16Å; Q132-D136 PolarHBondContact NE2-OD1 3.34Å; Q132-D136 PolarHBondContact NE2-OD2 3.33Å; Q132-D136 VanDerWaalsContact NE2-OD2 3.09Å; Q132-D136 WeakPolarHBondContact O-CB 3.34Å; Q132-D136 PolarHBondContact O-N 2.69Å |
| 133 | M | 91.4 | Very high | 89.1 | Confident | 129 Ų | 129 | 81.3 Ų | 81.3 | 64% | 0.635 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -62.7 | -41.6 | 175.7 | -77.8 | 177.3 | 50.6 | 0 | 0 | 111.9 | E129 D130 N131 D136 D137 | E129-M133 WeakPolarHBondContact O-CB 3.46Å; E129-M133 VanDerWaalsContact O-CG 3.26Å; E129-M133 WeakPolarHBondContact O-CG 3.48Å; E129-M133 PolarHBondContact O-N 2.84Å; D130-M133 PolarHBondContact O-N 2.87Å; N131-M133 VanDerWaalsContact C-N 3.31Å; N131-M133 PolarHBondContact O-N 3.31Å; M133-D136 PolarHBondContact O-N 2.86Å; M133-D137 WeakPolarHBondContact O-CB 3.49Å; M133-D137 PolarHBondContact O-N 3.23Å |
| 134 | W | 90.8 | Very high | 89 | Confident | 153 Ų | 153 | 78.3 Ų | 78.3 | 58% | 0.58 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -63.1 | -45.6 | 175.7 | -179.2 | 86.4 | 0 | 0 | 0 | 111.9 | D130 N131 D136 D137 H138 | D130-W134 PolarHBondContact O-N 2.78Å; N131-W134 PolarHBondContact O-N 2.92Å; W134-D136 VanDerWaalsContact C-N 3.32Å; W134-D136 PolarHBondContact O-N 2.82Å; W134-D137 PolarHBondContact O-N 3.2Å; W134-H138 WeakPolarHBondContact O-CB 3.44Å; W134-H138 PolarHBondContact O-N 3.44Å |
| 135 | I | 90.7 | Very high | 88.7 | Confident | 35 Ų | 35 | 85.9 Ų | 85.9 | 18% | 0.179 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -59.1 | -45.7 | 175.4 | -68.9 | 171.2 | 0 | 0 | 0 | 110.4 | N131 Q132 H138 R139 | N131-I135 WeakPolarHBondContact O-CG1 3.33Å; N131-I135 PolarHBondContact O-N 3Å; Q132-I135 PolarHBondContact O-N 3.16Å; I135-H138 PolarHBondContact O-N 3.18Å; I135-R139 HydrophobicContact CG2-CG 4.35Å; I135-R139 WeakPolarHBondContact O-CB 3.48Å; I135-R139 WeakPolarHBondContact O-CG 3.46Å; I135-R139 PolarHBondContact O-N 2.76Å |
| 136 | D | 90.6 | Very high | 87.8 | Confident | 37 Ų | 37 | 89.6 Ų | 89.6 | 20% | 0.198 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -67.7 | -37.9 | -179 | -80.1 | -25.3 | 0 | 0 | 0 | 112.5 | Q132 M133 W134 R139 R140 L152 | Q132-D136 PolarHBondContact NE2-OD1 3.34Å; Q132-D136 PolarHBondContact NE2-OD2 3.33Å; Q132-D136 VanDerWaalsContact NE2-OD2 3.09Å; Q132-D136 WeakPolarHBondContact O-CB 3.34Å; Q132-D136 PolarHBondContact O-N 2.69Å; M133-D136 PolarHBondContact O-N 2.86Å; W134-D136 VanDerWaalsContact C-N 3.32Å; W134-D136 PolarHBondContact O-N 2.82Å; D136-R139 PolarHBondContact O-N 3.01Å; D136-R139 IonicContact OD1-NH1 3.51Å; D136-R140 WeakPolarHBondContact O-CB 3.15Å; D136-R140 WeakPolarHBondContact O-CG 3.18Å; D136-R140 PolarHBondContact O-N 2.97Å; D136-L152 HydrophobicContact CB-CD1 3.91Å |
| 137 | D | 90.3 | Very high | 86.7 | Confident | 110 Ų | 110 | 87.6 Ų | 87.6 | 59% | 0.588 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -63.6 | -45.9 | 173.3 | -171.3 | 62 | 0 | 0 | 0 | 111.4 | M133 W134 R139 R140 S141 | M133-D137 WeakPolarHBondContact O-CB 3.49Å; M133-D137 PolarHBondContact O-N 3.23Å; W134-D137 PolarHBondContact O-N 3.2Å; D137-R139 VanDerWaalsContact C-N 3.32Å; D137-R139 PolarHBondContact O-N 2.88Å; D137-R140 WeakPolarHBondContact O-CB 3.34Å; D137-R140 PolarHBondContact O-N 3.47Å; D137-R140 VanDerWaalsContact O-N 3.07Å; D137-S141 PolarHBondContact O-N 2.94Å |
| 138 | H | 89.4 | Confident | 85.4 | Confident | 45 Ų | 45 | 87.8 Ų | 87.8 | 21% | 0.208 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -59.8 | -43.2 | 176.7 | -163.2 | 84.5 | 0 | 0 | 0 | 111.7 | W134 I135 R140 S141 Y142 L170 E188 | W134-H138 WeakPolarHBondContact O-CB 3.44Å; W134-H138 PolarHBondContact O-N 3.44Å; I135-H138 PolarHBondContact O-N 3.18Å; H138-R140 PolarHBondContact O-N 3.47Å; H138-S141 VanDerWaalsContact O-CB 3.29Å; H138-S141 WeakPolarHBondContact O-CB 3.36Å; H138-S141 PolarHBondContact O-N 3.27Å; H138-S141 PolarHBondContact O-OG 3.11Å; H138-Y142 AromaticContact CD2-CE2 3.93Å; H138-Y142 AromaticContact CD2-CZ 3.91Å; H138-Y142 PolarHBondContact CD2-OH 3.24Å; H138-Y142 AromaticContact NE2-CZ 3.79Å; H138-Y142 PolarHBondContact NE2-OH 3.09Å; H138-L170 HydrophobicContact CB-CD1 4.37Å; H138-E188 IonicContact CD2-OE1 3.98Å; H138-E188 IonicContact CE1-OE1 3.68Å; H138-E188 PolarHBondContact CE1-OE1 2.7Å; H138-E188 IonicContact NE2-OE1 2.76Å; H138-E188 PolarHBondContact NE2-OE1 3.37Å; H138-E188 IonicContact NE2-OE2 3.87Å |
| 139 | R | 91 | Very high | 84.4 | Confident | 9 Ų | 9 | 91.6 Ų | 91.6 | 3% | 0.034 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -67.8 | -32.7 | 175.1 | -70.1 | 173.2 | 73.1 | -143.8 | 2.3 | 112.7 | I135 D136 D137 S141 Y142 L152 P153 L170 D171 | I135-R139 HydrophobicContact CG2-CG 4.35Å; I135-R139 WeakPolarHBondContact O-CB 3.48Å; I135-R139 WeakPolarHBondContact O-CG 3.46Å; I135-R139 PolarHBondContact O-N 2.76Å; D136-R139 PolarHBondContact O-N 3.01Å; D136-R139 IonicContact OD1-NH1 3.51Å; D137-R139 VanDerWaalsContact C-N 3.32Å; D137-R139 PolarHBondContact O-N 2.88Å; R139-S141 VanDerWaalsContact C-N 3.28Å; R139-S141 PolarHBondContact O-N 3.07Å; R139-Y142 PolarHBondContact O-N 3.5Å; R139-L152 HydrophobicContact CB-CD2 3.31Å; R139-L152 HydrophobicContact CG-CD2 4.46Å; R139-P153 PolarHBondContact NH1-O 3.45Å; R139-P153 PolarHBondContact NH2-O 3.37Å; R139-L170 HydrophobicContact CG-CB 4.16Å; R139-D171 IonicContact CZ-OD1 3.87Å; R139-D171 IonicContact NE-OD1 3.21Å; R139-D171 IonicContact NH2-OD1 2.64Å; R139-D171 PolarHBondContact NH2-OD1 3.25Å; R139-D171 IonicContact NH2-OD2 3.65Å |
| 140 | R | 89.6 | Confident | 83.7 | Confident | 83 Ų | 83 | 95.6 Ų | 95.6 | 31% | 0.313 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66.3 | -30.5 | 174.1 | -78 | 173.5 | -164.3 | -71 | 4.9 | 112 | D136 D137 H138 Y142 Q143 R150 L152 | D136-R140 WeakPolarHBondContact O-CB 3.15Å; D136-R140 WeakPolarHBondContact O-CG 3.18Å; D136-R140 PolarHBondContact O-N 2.97Å; D137-R140 WeakPolarHBondContact O-CB 3.34Å; D137-R140 PolarHBondContact O-N 3.47Å; D137-R140 VanDerWaalsContact O-N 3.07Å; H138-R140 PolarHBondContact O-N 3.47Å; R140-Y142 PolarHBondContact O-N 3.1Å; R140-Y142 VanDerWaalsContact O-N 3.12Å; R140-Q143 PolarHBondContact O-N 3.36Å; R140-R150 PolarHBondContact NH1-O 3.39Å; R140-R150 VanDerWaalsContact NH1-O 3.11Å; R140-L152 HydrophobicContact CG-CD1 3.83Å; R140-L152 HydrophobicContact CG-CD2 4.05Å; R140-L152 HydrophobicContact CG-CG 4.11Å; R140-L152 VanDerWaalsContact NH2-CD1 3.31Å |
| 141 | S | 87.6 | Confident | 83.1 | Confident | 81 Ų | 81 | 97.7 Ų | 97.7 | 57% | 0.566 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -56.2 | -29.6 | 179.4 | 81.7 | 0 | 0 | 0 | 0 | 113 | D137 H138 R139 | D137-S141 PolarHBondContact O-N 2.94Å; H138-S141 VanDerWaalsContact O-CB 3.29Å; H138-S141 WeakPolarHBondContact O-CB 3.36Å; H138-S141 PolarHBondContact O-N 3.27Å; H138-S141 PolarHBondContact O-OG 3.11Å; R139-S141 VanDerWaalsContact C-N 3.28Å; R139-S141 PolarHBondContact O-N 3.07Å |
| 142 | Y | 83.8 | Confident | 82.8 | Confident | 59 Ų | 59 | 95 Ų | 95 | 23% | 0.231 | 46% | 0.461 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -17.7 | 178.4 | -51.2 | -53.4 | 0 | 0 | 0 | 114.3 | H138 R139 R140 F186 E188 | H138-Y142 AromaticContact CD2-CE2 3.93Å; H138-Y142 AromaticContact CD2-CZ 3.91Å; H138-Y142 PolarHBondContact CD2-OH 3.24Å; H138-Y142 AromaticContact NE2-CZ 3.79Å; H138-Y142 PolarHBondContact NE2-OH 3.09Å; R139-Y142 PolarHBondContact O-N 3.5Å; R140-Y142 PolarHBondContact O-N 3.1Å; R140-Y142 VanDerWaalsContact O-N 3.12Å; Y142-F186 HydrophobicContact CD1-CB 4.1Å; Y142-F186 AromaticContact CD1-CD1 3.86Å; Y142-F186 HydrophobicContact CD1-CD1 3.86Å; Y142-F186 AromaticContact CD1-CG 3.99Å; Y142-F186 HydrophobicContact CD1-CG 3.99Å; Y142-F186 HydrophobicContact CD2-CB 3.88Å; Y142-F186 HydrophobicContact CD2-CD2 4.17Å; Y142-F186 AromaticContact CD2-CG 3.98Å; Y142-F186 HydrophobicContact CD2-CG 3.98Å; Y142-F186 HydrophobicContact CE1-CB 4.3Å; Y142-F186 HydrophobicContact CE2-CB 4.08Å; Y142-F186 HydrophobicContact CG-CB 3.89Å; Y142-F186 AromaticContact CG-CD1 3.84Å; Y142-F186 HydrophobicContact CG-CD1 3.84Å; Y142-F186 AromaticContact CG-CD2 3.96Å; Y142-F186 HydrophobicContact CG-CD2 3.96Å; Y142-F186 HydrophobicContact CG-CE1 4.37Å; Y142-F186 HydrophobicContact CG-CE2 4.49Å; Y142-F186 AromaticContact CG-CG 3.6Å; Y142-F186 HydrophobicContact CG-CG 3.6Å; Y142-F186 WeakPolarHBondContact O-CZ 3.19Å; Y142-E188 PolarHBondContact OH-OE1 2.97Å |
| 143 | Q | 82.6 | Confident | 82.6 | Confident | 42 Ų | 42 | 95.3 Ų | 95.3 | 20% | 0.196 | 47% | 0.469 | C | S | . | . | S | Bend | trans | -83.1 | 150.5 | -175.4 | -64.8 | -172.4 | 9.1 | 0 | 0 | 111.5 | R140 R145 S147 | R140-Q143 PolarHBondContact O-N 3.36Å; Q143-R145 PolarHBondContact O-N 3.24Å; Q143-S147 VanDerWaalsContact CB-OG 3.28Å; Q143-S147 WeakPolarHBondContact CB-OG 3.42Å; Q143-S147 PolarHBondContact OE1-OG 2.93Å |
| 144 | P | 80.5 | Confident | 82.4 | Confident | 97 Ų | 97 | 98.7 Ų | 98.7 | 63% | 0.63 | 48% | 0.48 | S | S | * | . | trans | -60.9 | 139 | 173.9 | 25.6 | -33.8 | 0 | 0 | 0 | 110 | N146 S147 | P144-N146 PolarHBondContact O-N 3.44Å; P144-S147 WeakPolarHBondContact O-CB 3.5Å; P144-S147 PolarHBondContact O-N 2.96Å; P144-S147 PolarHBondContact O-OG 3.42Å | ||
| 145 | R | 75.4 | Confident | 82.4 | Confident | 230 Ų | 230 | 92.4 Ų | 92.4 | 87% | 0.868 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -51 | -13.9 | -176.7 | -68.1 | -173.5 | 172.9 | -175.6 | -2.5 | 115.9 | Q143 S147 C148 | Q143-R145 PolarHBondContact O-N 3.24Å; R145-S147 VanDerWaalsContact C-N 3.3Å; R145-C148 PolarHBondContact O-SG 3.37Å |
| 146 | N | 69.3 | Low | 82.5 | Confident | 162 Ų | 162 | 94.6 Ų | 94.6 | 87% | 0.866 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -82.8 | -6.5 | 178.3 | -64.8 | -10.7 | 0 | 0 | 0 | 113.4 | P144 | P144-N146 PolarHBondContact O-N 3.44Š|
| 147 | S | 68.6 | Low | 82.7 | Confident | 22 Ų | 22 | 92.9 Ų | 92.9 | 15% | 0.154 | 46% | 0.463 | C | S | . | . | G | 310 helix | trans | -91.2 | -8.2 | -175.9 | 61.7 | 0 | 0 | 0 | 0 | 114.5 | Q143 P144 R145 K149 R150 | Q143-S147 VanDerWaalsContact CB-OG 3.28Å; Q143-S147 WeakPolarHBondContact CB-OG 3.42Å; Q143-S147 PolarHBondContact OE1-OG 2.93Å; P144-S147 WeakPolarHBondContact O-CB 3.5Å; P144-S147 PolarHBondContact O-N 2.96Å; P144-S147 PolarHBondContact O-OG 3.42Å; R145-S147 VanDerWaalsContact C-N 3.3Å; S147-K149 PolarHBondContact O-N 3.39Å; S147-R150 PolarHBondContact O-N 2.9Å |
| 148 | C | 63.3 | Low | 82.9 | Confident | 83 Ų | 83 | 88.3 Ų | 88.3 | 56% | 0.561 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -17.4 | -166.5 | -48.2 | 0 | 0 | 0 | 0 | 115.7 | R145 | R145-C148 PolarHBondContact O-SG 3.37Š|
| 149 | K | 70.6 | Confident | 83.2 | Confident | 209 Ų | 209 | 86.1 Ų | 86.1 | 91% | 0.909 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -9.1 | -178.8 | -60.3 | -174.6 | -178.7 | -175.9 | 0 | 114.2 | S147 | S147-K149 PolarHBondContact O-N 3.39Š|
| 150 | R | 78.1 | Confident | 83.4 | Confident | 196 Ų | 196 | 87.3 Ų | 87.3 | 74% | 0.74 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -97 | 147.2 | -178.5 | -64.3 | -174.8 | -179.9 | -164.2 | -0.2 | 109.9 | R140 S147 | R140-R150 PolarHBondContact NH1-O 3.39Å; R140-R150 VanDerWaalsContact NH1-O 3.11Å; S147-R150 PolarHBondContact O-N 2.9Å |
| 151 | P | 81.1 | Confident | 83.8 | Confident | 115 Ų | 115 | 83.3 Ų | 83.3 | 75% | 0.747 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 141.9 | 167.5 | 27.3 | -33.7 | 0 | 0 | 0 | 108.7 | ||
| 152 | L | 83.7 | Confident | 84.2 | Confident | 21 Ų | 21 | 82 Ų | 82 | 11% | 0.11 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 148.4 | 175.8 | -69.4 | 88.4 | 0 | 0 | 0 | 109.3 | D136 R139 R140 | D136-L152 HydrophobicContact CB-CD1 3.91Å; R139-L152 HydrophobicContact CB-CD2 3.31Å; R139-L152 HydrophobicContact CG-CD2 4.46Å; R140-L152 HydrophobicContact CG-CD1 3.83Å; R140-L152 HydrophobicContact CG-CD2 4.05Å; R140-L152 HydrophobicContact CG-CG 4.11Å; R140-L152 VanDerWaalsContact NH2-CD1 3.31Å |
| 153 | P | 86.4 | Confident | 84.8 | Confident | 83 Ų | 83 | 82.3 Ų | 82.3 | 54% | 0.539 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -52.6 | 148.9 | 163.1 | -21.9 | 33.7 | 0 | 0 | 0 | 110.2 | R139 | R139-P153 PolarHBondContact NH1-O 3.45Å; R139-P153 PolarHBondContact NH2-O 3.37Å |
| 154 | K | 87.3 | Confident | 85.5 | Confident | 200 Ų | 200 | 82.7 Ų | 82.7 | 87% | 0.87 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -74.9 | 131 | 171.1 | -64.7 | -174.1 | 175.9 | -169.6 | 0 | 108.8 | ||
| 155 | S | 91.4 | Very high | 86.2 | Confident | 21 Ų | 21 | 85 Ų | 85 | 15% | 0.147 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -80 | 149.3 | 169.5 | 51.6 | 0 | 0 | 0 | 0 | 109.6 | L170 | S155-L170 WeakPolarHBondContact CB-O 3.37Å; S155-L170 PolarHBondContact OG-O 2.62Å |
| 156 | D | 92.6 | Very high | 87.2 | Confident | 81 Ų | 81 | 74.8 Ų | 74.8 | 43% | 0.433 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -83 | -23.7 | -176.9 | -73.9 | -30.8 | 0 | 0 | 0 | 113.5 | C172 Q173 R174 | D156-C172 PolarHBondContact N-O 3.25Å; D156-Q173 WeakPolarHBondContact OD2-CA 3.4Å; D156-R174 HydrophobicContact CB-CB 4.13Å; D156-R174 PolarHBondContact OD2-N 2.98Å |
| 157 | A | 93.7 | Very high | 88.5 | Confident | 2 Ų | 2 | 69.2 Ų | 69.2 | 2% | 0.017 | 37% | 0.371 | C | S | . | . | trans | -166.7 | 162.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L159 C172 Y182 A282 | A157-L159 HydrophobicContact CB-CD2 4.16Å; A157-C172 PolarHBondContact O-SG 2.64Å; A157-Y182 HydrophobicContact CB-CD1 4.47Å; A157-Y182 HydrophobicContact CB-CE1 3.8Å; A157-A282 HydrophobicContact CB-CB 4Å | ||
| 158 | V | 94.3 | Very high | 89.7 | Confident | 13 Ų | 13 | 68.2 Ų | 68.2 | 8% | 0.079 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 132 | 159.9 | 174.2 | 0 | 0 | 0 | 0 | 108.4 | L167 L170 A282 S283 A285 | V158-L167 HydrophobicContact CG1-CD1 3.55Å; V158-L170 HydrophobicContact CG1-CD2 4.02Å; V158-L170 HydrophobicContact CG2-CD2 4.09Å; V158-A282 WeakPolarHBondContact O-CA 3.34Å; V158-S283 WeakPolarHBondContact CB-OG 3.25Å; V158-S283 PolarHBondContact N-O 2.95Å; V158-S283 PolarHBondContact O-N 3Å; V158-S283 PolarHBondContact O-OG 2.94Å; V158-A285 HydrophobicContact CG2-CB 3.99Å |
| 159 | L | 96.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 128.9 | -175.4 | -53.7 | -177.4 | 0 | 0 | 0 | 111.1 | A157 L168 C169 C172 Y182 F277 V280 L281 A282 | A157-L159 HydrophobicContact CB-CD2 4.16Å; L159-L168 HydrophobicContact CB-CB 4.39Å; L159-L168 WeakPolarHBondContact O-CB 3.21Å; L159-L168 PolarHBondContact O-N 2.92Å; L159-C169 HydrophobicContact CB-CB 4.06Å; L159-C169 HydrophobicContact CD1-CB 4Å; L159-C169 HydrophobicContact CG-CB 4.17Å; L159-C169 PolarHBondContact N-O 2.93Å; L159-C169 PolarHBondContact O-N 3.03Å; L159-C172 HydrophobicContact CD1-CB 3.96Å; L159-C172 HydrophobicContact CG-CB 4.35Å; L159-Y182 HydrophobicContact CD1-CD2 4.35Å; L159-Y182 HydrophobicContact CD1-CG 4.12Å; L159-Y182 HydrophobicContact CD2-CD1 4.15Å; L159-Y182 HydrophobicContact CD2-CD2 3.64Å; L159-Y182 HydrophobicContact CD2-CE1 4.34Å; L159-Y182 HydrophobicContact CD2-CE2 3.85Å; L159-Y182 HydrophobicContact CD2-CG 3.79Å; L159-F277 HydrophobicContact CD1-CB 4.06Å; L159-F277 HydrophobicContact CD1-CD1 4.46Å; L159-F277 HydrophobicContact CD1-CD2 3.7Å; L159-F277 HydrophobicContact CD1-CE2 4.23Å; L159-F277 HydrophobicContact CD1-CG 3.82Å; L159-V280 HydrophobicContact CD1-CG2 4.38Å; L159-V280 HydrophobicContact CD2-CG2 4Å; L159-L281 WeakPolarHBondContact CA-O 3.28Å; L159-A282 HydrophobicContact CD2-CB 4.18Å |
| 160 | N | 96.4 | Very high | 92.3 | Very high | 33 Ų | 33 | 54.8 Ų | 54.8 | 18% | 0.176 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 150.6 | 178.2 | -63.1 | -40.9 | 0 | 0 | 0 | 111.6 | A166 L281 S283 | N160-A166 CarbonylContact C-O 3.48Å; N160-A166 WeakPolarHBondContact CA-O 3.21Å; N160-L281 HydrophobicContact CB-CB 4.26Å; N160-L281 PolarHBondContact N-O 2.75Å; N160-L281 PolarHBondContact O-N 2.73Å; N160-S283 PolarHBondContact ND2-OG 3.17Å |
| 161 | C | 96.9 | Very high | 93 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | -65.4 | 131.5 | 176.4 | -178.1 | 0 | 0 | 0 | 0 | 110.8 | A163 C164 M165 A166 L168 C259 C262 | C161-A163 PolarHBondContact O-N 3.37Å; C161-C164 VanDerWaalsContact SG-SG 3.61Å; C161-M165 WeakPolarHBondContact O-CA 3.44Å; C161-M165 PolarHBondContact O-N 3.01Å; C161-A166 HydrophobicContact CB-CB 4.36Å; C161-A166 PolarHBondContact N-O 2.96Å; C161-L168 HydrophobicContact CB-CD1 4.18Å; C161-L168 HydrophobicContact CB-CD2 4.22Å; C161-L168 HydrophobicContact CB-CG 4.24Å; C161-C259 HydrophobicContact CB-CB 4.47Å; C161-C262 PolarHBondContact SG-SG 3.21Å | ||
| 162 | P | 96.1 | Very high | 93.6 | Very high | 53 Ų | 53 | 42.3 Ų | 42.3 | 34% | 0.344 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -23.1 | 180 | 30.9 | -40.9 | 0 | 0 | 0 | 114 | T264 N279 L281 | P162-T264 HydrophobicContact CG-CG2 4.15Å; P162-N279 WeakPolarHBondContact CD-O 3.09Å; P162-N279 WeakPolarHBondContact CG-O 3.32Å; P162-L281 HydrophobicContact CB-CG 4.43Å |
| 163 | A | 96.2 | Very high | 94.1 | Very high | 66 Ų | 66 | 46.9 Ų | 46.9 | 55% | 0.545 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -44.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | C161 T264 | C161-A163 PolarHBondContact O-N 3.37Å; A163-T264 HydrophobicContact CB-CG2 4.41Å; A163-T264 WeakPolarHBondContact CB-OG1 3.38Å |
| 164 | C | 96.8 | Very high | 94.5 | Very high | 49 Ų | 49 | 47.5 Ų | 47.5 | 33% | 0.331 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | 2.2 | -176.9 | 64.7 | 0 | 0 | 0 | 0 | 114.4 | C161 A166 I261 C262 | C161-C164 VanDerWaalsContact SG-SG 3.61Å; C164-A166 PolarHBondContact O-N 2.9Å; C164-A166 VanDerWaalsContact SG-CB 3.56Å; C164-I261 HydrophobicContact CB-CG2 4.34Å; C164-C262 HydrophobicContact CB-CB 4.01Å |
| 165 | M | 96.4 | Very high | 94.8 | Very high | 145 Ų | 145 | 40.6 Ų | 40.6 | 71% | 0.714 | 22% | 0.222 | S | C | * | . | trans | 59.1 | 10.5 | -177.7 | -56.1 | -177.1 | 179.9 | 0 | 0 | 115.4 | C161 | C161-M165 WeakPolarHBondContact O-CA 3.44Å; C161-M165 PolarHBondContact O-N 3.01Å | ||
| 166 | A | 96.1 | Very high | 94.8 | Very high | 16 Ų | 16 | 46.4 Ų | 46.4 | 13% | 0.132 | 26% | 0.256 | C | S | . | . | trans | -61.9 | 142.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | N160 C161 C164 L168 I261 | N160-A166 CarbonylContact C-O 3.48Å; N160-A166 WeakPolarHBondContact CA-O 3.21Å; C161-A166 HydrophobicContact CB-CB 4.36Å; C161-A166 PolarHBondContact N-O 2.96Å; C164-A166 PolarHBondContact O-N 2.9Å; C164-A166 VanDerWaalsContact SG-CB 3.56Å; A166-L168 PolarHBondContact O-N 2.85Å; A166-I261 HydrophobicContact CB-CD1 3.27Å; A166-I261 HydrophobicContact CB-CG1 4.48Å | ||
| 167 | L | 95.4 | Very high | 94.8 | Very high | 46 Ų | 46 | 49.6 Ų | 49.6 | 24% | 0.241 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 127.3 | 174.4 | -164.5 | 87.9 | 0 | 0 | 0 | 110.3 | V158 L170 E188 N189 | V158-L167 HydrophobicContact CG1-CD1 3.55Å; L167-L170 HydrophobicContact CD1-CD2 3.72Å; L167-L170 HydrophobicContact CD2-CD1 4.35Å; L167-L170 HydrophobicContact CD2-CD2 3.9Å; L167-L170 HydrophobicContact CD2-CG 3.93Å; L167-L170 HydrophobicContact CG-CD2 4.27Å; L167-E188 WeakPolarHBondContact CD2-OE2 3.31Å; L167-N189 WeakPolarHBondContact O-CB 3.44Å; L167-N189 PolarHBondContact O-ND2 2.87Å |
| 168 | L | 95.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | -34.9 | 176.4 | -60.7 | 176.8 | 0 | 0 | 0 | 112 | L159 C161 A166 V187 E188 C259 V266 F277 V280 | L159-L168 HydrophobicContact CB-CB 4.39Å; L159-L168 WeakPolarHBondContact O-CB 3.21Å; L159-L168 PolarHBondContact O-N 2.92Å; C161-L168 HydrophobicContact CB-CD1 4.18Å; C161-L168 HydrophobicContact CB-CD2 4.22Å; C161-L168 HydrophobicContact CB-CG 4.24Å; A166-L168 PolarHBondContact O-N 2.85Å; L168-V187 CarbonylContact O-C 3.59Å; L168-V187 WeakPolarHBondContact O-CA 3.47Å; L168-E188 WeakPolarHBondContact CA-O 3.39Å; L168-E188 PolarHBondContact O-N 3.07Å; L168-C259 HydrophobicContact CD2-CB 4.38Å; L168-V266 HydrophobicContact CD1-CB 3.94Å; L168-V266 HydrophobicContact CD1-CG1 3.94Å; L168-V266 HydrophobicContact CD1-CG2 4.13Å; L168-V266 HydrophobicContact CD2-CG2 4.5Å; L168-F277 HydrophobicContact CB-CE1 4.02Å; L168-F277 HydrophobicContact CB-CZ 4.3Å; L168-F277 HydrophobicContact CD1-CD1 4.41Å; L168-F277 HydrophobicContact CD1-CE1 4.07Å; L168-V280 HydrophobicContact CD1-CG1 3.83Å |
| 169 | C | 94.5 | Very high | 94.6 | Very high | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.007 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 135.6 | -176.5 | -171.1 | 0 | 0 | 0 | 0 | 112.4 | L159 D171 A184 F186 F277 | L159-C169 HydrophobicContact CB-CB 4.06Å; L159-C169 HydrophobicContact CD1-CB 4Å; L159-C169 HydrophobicContact CG-CB 4.17Å; L159-C169 PolarHBondContact N-O 2.93Å; L159-C169 PolarHBondContact O-N 3.03Å; C169-D171 VanDerWaalsContact SG-C 3.53Å; C169-D171 PolarHBondContact SG-N 2.78Å; C169-D171 PolarHBondContact SG-O 3.04Å; C169-A184 VanDerWaalsContact SG-CB 3.5Å; C169-F186 PolarHBondContact SG-O 3.42Å; C169-F277 HydrophobicContact CB-CE2 4.29Å; C169-F277 HydrophobicContact CB-CZ 4.49Å |
| 170 | L | 93.3 | Very high | 94.4 | Very high | 10 Ų | 10 | 62.1 Ų | 62.1 | 5% | 0.052 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -97.9 | -21.5 | 172.2 | -64.2 | 177.1 | 0 | 0 | 0 | 113.6 | H138 R139 S155 V158 L167 | H138-L170 HydrophobicContact CB-CD1 4.37Å; R139-L170 HydrophobicContact CG-CB 4.16Å; S155-L170 WeakPolarHBondContact CB-O 3.37Å; S155-L170 PolarHBondContact OG-O 2.62Å; V158-L170 HydrophobicContact CG1-CD2 4.02Å; V158-L170 HydrophobicContact CG2-CD2 4.09Å; L167-L170 HydrophobicContact CD1-CD2 3.72Å; L167-L170 HydrophobicContact CD2-CD1 4.35Å; L167-L170 HydrophobicContact CD2-CD2 3.9Å; L167-L170 HydrophobicContact CD2-CG 3.93Å; L167-L170 HydrophobicContact CG-CD2 4.27Å |
| 171 | D | 92.6 | Very high | 94.3 | Very high | 41 Ų | 41 | 63.7 Ų | 63.7 | 22% | 0.219 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -126.7 | 97 | -175.8 | -166.6 | 32.9 | 0 | 0 | 0 | 111.4 | R139 C169 | R139-D171 IonicContact CZ-OD1 3.87Å; R139-D171 IonicContact NE-OD1 3.21Å; R139-D171 IonicContact NH2-OD1 2.64Å; R139-D171 PolarHBondContact NH2-OD1 3.25Å; R139-D171 IonicContact NH2-OD2 3.65Å; C169-D171 VanDerWaalsContact SG-C 3.53Å; C169-D171 PolarHBondContact SG-N 2.78Å; C169-D171 PolarHBondContact SG-O 3.04Å |
| 172 | C | 93.9 | Very high | 94.3 | Very high | 7 Ų | 7 | 64.1 Ų | 64.1 | 5% | 0.047 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 153.9 | -178.3 | 73.8 | 0 | 0 | 0 | 0 | 112.6 | D156 A157 L159 R183 A184 | D156-C172 PolarHBondContact N-O 3.25Å; A157-C172 PolarHBondContact O-SG 2.64Å; L159-C172 HydrophobicContact CD1-CB 3.96Å; L159-C172 HydrophobicContact CG-CB 4.35Å; C172-R183 WeakPolarHBondContact CA-O 3.46Å; C172-A184 HydrophobicContact CB-CB 4.27Å |
| 173 | Q | 94.1 | Very high | 94.3 | Very high | 117 Ų | 117 | 65.7 Ų | 65.7 | 55% | 0.547 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 127.7 | 173.6 | -174.3 | -178.8 | 18.2 | 0 | 0 | 109.9 | D156 Y182 R183 | D156-Q173 WeakPolarHBondContact OD2-CA 3.4Å; Q173-Y182 CarbonylContact O-C 3.49Å; Q173-Y182 WeakPolarHBondContact O-CA 3.4Å; Q173-R183 PolarHBondContact N-O 3.12Å; Q173-R183 PolarHBondContact O-N 2.93Å |
| 174 | R | 94.9 | Very high | 94.2 | Very high | 97 Ų | 97 | 62.7 Ų | 62.7 | 37% | 0.366 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 137.8 | 178.3 | -169.4 | -178.4 | -62.1 | -99 | -0.8 | 111 | D156 S179 Y182 | D156-R174 HydrophobicContact CB-CB 4.13Å; D156-R174 PolarHBondContact OD2-N 2.98Å; R174-S179 PolarHBondContact NH1-O 3.14Å; R174-Y182 HydrophobicContact CB-CD1 4.03Å; R174-Y182 HydrophobicContact CB-CE1 3.93Å; R174-Y182 HydrophobicContact CG-CD1 4.32Å; R174-Y182 HydrophobicContact CG-CE1 3.93Å; R174-Y182 PolarHBondContact NH1-OH 3.42Å; R174-Y182 PolarHBondContact NH2-OH 2.89Å; R174-Y182 VanDerWaalsContact NH2-OH 3.16Å |
| 175 | H | 92.8 | Very high | 94.1 | Very high | 55 Ų | 55 | 66.2 Ų | 66.2 | 26% | 0.255 | 33% | 0.334 | S | S | . | . | trans | -67.3 | 138.4 | 176.3 | -172.2 | -97.7 | 0 | 0 | 0 | 111.2 | E177 Y178 Q181 | H175-E177 PolarHBondContact ND1-N 2.99Å; H175-E177 PolarHBondContact O-N 2.86Å; H175-Y178 WeakPolarHBondContact CB-O 3.29Å; H175-Y178 AromaticContact CE1-CD2 3.51Å; H175-Y178 AromaticContact ND1-CD2 3.35Å; H175-Y178 VanDerWaalsContact ND1-CD2 3.35Å; H175-Y178 WeakPolarHBondContact ND1-CD2 3.38Å; H175-Y178 AromaticContact ND1-CG 3.87Å; H175-Y178 PolarHBondContact ND1-N 2.86Å; H175-Y178 VanDerWaalsContact ND1-N 3.14Å; H175-Q181 HydrophobicContact CB-CB 3.92Å; H175-Q181 WeakPolarHBondContact CB-O 3.4Å; H175-Q181 PolarHBondContact N-O 2.87Å | ||
| 176 | V | 92 | Very high | 93.9 | Very high | 143 Ų | 143 | 62.5 Ų | 62.5 | 87% | 0.867 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -64.9 | -40.3 | -174 | -178.3 | 0 | 0 | 0 | 0 | 112 | ||
| 177 | E | 91.8 | Very high | 93.8 | Very high | 148 Ų | 148 | 63.3 Ų | 63.3 | 69% | 0.692 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -90.4 | -26 | -178.5 | -53.6 | -175.8 | 164.3 | 0 | 0 | 113.2 | H175 | H175-E177 PolarHBondContact ND1-N 2.99Å; H175-E177 PolarHBondContact O-N 2.86Å |
| 178 | Y | 92.4 | Very high | 93.7 | Very high | 120 Ų | 120 | 63.4 Ų | 63.4 | 47% | 0.471 | 32% | 0.316 | S | S | . | . | trans | -127.1 | 96.8 | -170.7 | -59.9 | -61.6 | 0 | 0 | 0 | 109.2 | H175 S180 Q181 | H175-Y178 WeakPolarHBondContact CB-O 3.29Å; H175-Y178 AromaticContact CE1-CD2 3.51Å; H175-Y178 AromaticContact ND1-CD2 3.35Å; H175-Y178 VanDerWaalsContact ND1-CD2 3.35Å; H175-Y178 WeakPolarHBondContact ND1-CD2 3.38Å; H175-Y178 AromaticContact ND1-CG 3.87Å; H175-Y178 PolarHBondContact ND1-N 2.86Å; H175-Y178 VanDerWaalsContact ND1-N 3.14Å; Y178-S180 PolarHBondContact O-N 3.23Å; Y178-Q181 PolarHBondContact O-N 3.32Å | ||
| 179 | S | 91.1 | Very high | 93.7 | Very high | 80 Ų | 80 | 66.2 Ų | 66.2 | 56% | 0.559 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -19.7 | -175.9 | 59.3 | 0 | 0 | 0 | 0 | 114.1 | R174 | R174-S179 PolarHBondContact NH1-O 3.14Š|
| 180 | S | 91.9 | Very high | 93.8 | Very high | 78 Ų | 78 | 67.2 Ų | 67.2 | 55% | 0.545 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -1.1 | 178.3 | 64.3 | 0 | 0 | 0 | 0 | 114.2 | Y178 | Y178-S180 PolarHBondContact O-N 3.23Š|
| 181 | Q | 95 | Very high | 94 | Very high | 66 Ų | 66 | 69.9 Ų | 69.9 | 31% | 0.308 | 36% | 0.355 | S | S | . | . | trans | -110.2 | 145 | 179.3 | -64.6 | 176.8 | 21.5 | 0 | 0 | 109.7 | H175 Y178 F277 | H175-Q181 HydrophobicContact CB-CB 3.92Å; H175-Q181 WeakPolarHBondContact CB-O 3.4Å; H175-Q181 PolarHBondContact N-O 2.87Å; Y178-Q181 PolarHBondContact O-N 3.32Å; Q181-F277 WeakPolarHBondContact CA-O 3.26Å | ||
| 182 | Y | 96.7 | Very high | 94.1 | Very high | 8 Ų | 8 | 69.7 Ų | 69.7 | 3% | 0.031 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 145.2 | -176 | -59 | -93.8 | 0 | 0 | 0 | 110.1 | A157 L159 Q173 R174 H276 F277 V280 A282 | A157-Y182 HydrophobicContact CB-CD1 4.47Å; A157-Y182 HydrophobicContact CB-CE1 3.8Å; L159-Y182 HydrophobicContact CD1-CD2 4.35Å; L159-Y182 HydrophobicContact CD1-CG 4.12Å; L159-Y182 HydrophobicContact CD2-CD1 4.15Å; L159-Y182 HydrophobicContact CD2-CD2 3.64Å; L159-Y182 HydrophobicContact CD2-CE1 4.34Å; L159-Y182 HydrophobicContact CD2-CE2 3.85Å; L159-Y182 HydrophobicContact CD2-CG 3.79Å; Q173-Y182 CarbonylContact O-C 3.49Å; Q173-Y182 WeakPolarHBondContact O-CA 3.4Å; R174-Y182 HydrophobicContact CB-CD1 4.03Å; R174-Y182 HydrophobicContact CB-CE1 3.93Å; R174-Y182 HydrophobicContact CG-CD1 4.32Å; R174-Y182 HydrophobicContact CG-CE1 3.93Å; R174-Y182 PolarHBondContact NH1-OH 3.42Å; R174-Y182 PolarHBondContact NH2-OH 2.89Å; R174-Y182 VanDerWaalsContact NH2-OH 3.16Å; Y182-H276 CarbonylContact O-C 3.57Å; Y182-F277 PolarHBondContact N-O 2.94Å; Y182-F277 PolarHBondContact O-N 3.34Å; Y182-V280 HydrophobicContact CD2-CG2 3.93Å; Y182-V280 HydrophobicContact CE2-CG2 4.25Å; Y182-A282 HydrophobicContact CE2-CB 3.97Å; Y182-A282 WeakPolarHBondContact OH-CB 3.25Å |
| 183 | R | 95.5 | Very high | 94.2 | Very high | 87 Ų | 87 | 73.4 Ų | 73.4 | 33% | 0.328 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 131.1 | 174 | -59.8 | -179.1 | 75.4 | -163.4 | 7.3 | 108.1 | C172 Q173 I274 Y275 H276 | C172-R183 WeakPolarHBondContact CA-O 3.46Å; Q173-R183 PolarHBondContact N-O 3.12Å; Q173-R183 PolarHBondContact O-N 2.93Å; R183-I274 HydrophobicContact CB-CG2 4.08Å; R183-I274 VanDerWaalsContact NH2-CD1 3.32Å; R183-Y275 CarbonylContact C-O 3.59Å; R183-Y275 VanDerWaalsContact CA-O 3.3Å; R183-Y275 WeakPolarHBondContact CA-O 3.32Å; R183-H276 PolarHBondContact NE-CE1 3.1Å; R183-H276 VanDerWaalsContact NE-CE1 3.34Å |
| 184 | A | 95.4 | Very high | 94.1 | Very high | 3 Ų | 3 | 73.3 Ų | 73.3 | 3% | 0.025 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 150.8 | 178 | 0 | 0 | 0 | 0 | 0 | 110.6 | C169 C172 V187 Y275 F277 | C169-A184 VanDerWaalsContact SG-CB 3.5Å; C172-A184 HydrophobicContact CB-CB 4.27Å; A184-V187 HydrophobicContact CB-CG1 4.41Å; A184-Y275 PolarHBondContact N-O 3.21Å; A184-Y275 PolarHBondContact O-N 3.05Å; A184-F277 HydrophobicContact CB-CD2 4.17Å; A184-F277 HydrophobicContact CB-CE2 3.82Å |
| 185 | M | 93.5 | Very high | 93.8 | Very high | 123 Ų | 123 | 76.6 Ų | 76.6 | 61% | 0.606 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -97.9 | -33.5 | 172.9 | -67.7 | 178.7 | 59.3 | 0 | 0 | 111.8 | ||
| 186 | F | 92.6 | Very high | 93.6 | Very high | 67 Ų | 67 | 78.3 Ų | 78.3 | 29% | 0.294 | 41% | 0.406 | S | S | . | . | trans | -118 | 130.9 | -174.8 | -52.7 | -72.8 | 0 | 0 | 0 | 109.3 | Y142 C169 | Y142-F186 HydrophobicContact CD1-CB 4.1Å; Y142-F186 AromaticContact CD1-CD1 3.86Å; Y142-F186 HydrophobicContact CD1-CD1 3.86Å; Y142-F186 AromaticContact CD1-CG 3.99Å; Y142-F186 HydrophobicContact CD1-CG 3.99Å; Y142-F186 HydrophobicContact CD2-CB 3.88Å; Y142-F186 HydrophobicContact CD2-CD2 4.17Å; Y142-F186 AromaticContact CD2-CG 3.98Å; Y142-F186 HydrophobicContact CD2-CG 3.98Å; Y142-F186 HydrophobicContact CE1-CB 4.3Å; Y142-F186 HydrophobicContact CE2-CB 4.08Å; Y142-F186 HydrophobicContact CG-CB 3.89Å; Y142-F186 AromaticContact CG-CD1 3.84Å; Y142-F186 HydrophobicContact CG-CD1 3.84Å; Y142-F186 AromaticContact CG-CD2 3.96Å; Y142-F186 HydrophobicContact CG-CD2 3.96Å; Y142-F186 HydrophobicContact CG-CE1 4.37Å; Y142-F186 HydrophobicContact CG-CE2 4.49Å; Y142-F186 AromaticContact CG-CG 3.6Å; Y142-F186 HydrophobicContact CG-CG 3.6Å; Y142-F186 WeakPolarHBondContact O-CZ 3.19Å; C169-F186 PolarHBondContact SG-O 3.42Å | ||
| 187 | V | 94.4 | Very high | 93.4 | Very high | 32 Ų | 32 | 74.4 Ų | 74.4 | 19% | 0.194 | 38% | 0.384 | C | S | . | . | trans | -137.1 | 151.3 | -174.6 | -58.6 | 0 | 0 | 0 | 0 | 109.9 | L168 A184 C190 Y275 F277 | L168-V187 CarbonylContact O-C 3.59Å; L168-V187 WeakPolarHBondContact O-CA 3.47Å; A184-V187 HydrophobicContact CB-CG1 4.41Å; V187-C190 HydrophobicContact CB-CB 4.17Å; V187-C190 HydrophobicContact CG2-CB 3.74Å; V187-Y275 HydrophobicContact CG1-CD1 3.93Å; V187-Y275 HydrophobicContact CG1-CD2 3.57Å; V187-Y275 HydrophobicContact CG1-CE1 4.33Å; V187-Y275 HydrophobicContact CG1-CE2 4.01Å; V187-Y275 HydrophobicContact CG1-CG 3.53Å; V187-Y275 HydrophobicContact CG2-CD1 4.13Å; V187-Y275 HydrophobicContact CG2-CD2 4.17Å; V187-Y275 HydrophobicContact CG2-CE1 3.69Å; V187-Y275 HydrophobicContact CG2-CE2 3.73Å; V187-Y275 HydrophobicContact CG2-CG 4.36Å; V187-Y275 VanDerWaalsContact CG2-CZ 3.48Å; V187-F277 HydrophobicContact CB-CZ 4.19Å; V187-F277 HydrophobicContact CG1-CE2 3.55Å; V187-F277 HydrophobicContact CG1-CZ 3.44Å; V187-F277 VanDerWaalsContact CG1-CZ 3.44Å | ||
| 188 | E | 94.2 | Very high | 93.2 | Very high | 49 Ų | 49 | 71.4 Ų | 71.4 | 23% | 0.229 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -119.9 | 155 | 174.3 | -55.3 | -154 | 140.2 | 0 | 0 | 109.5 | H138 Y142 L167 L168 C190 | H138-E188 IonicContact CD2-OE1 3.98Å; H138-E188 IonicContact CE1-OE1 3.68Å; H138-E188 PolarHBondContact CE1-OE1 2.7Å; H138-E188 IonicContact NE2-OE1 2.76Å; H138-E188 PolarHBondContact NE2-OE1 3.37Å; H138-E188 IonicContact NE2-OE2 3.87Å; Y142-E188 PolarHBondContact OH-OE1 2.97Å; L167-E188 WeakPolarHBondContact CD2-OE2 3.31Å; L168-E188 WeakPolarHBondContact CA-O 3.39Å; L168-E188 PolarHBondContact O-N 3.07Å; E188-C190 PolarHBondContact O-N 3.18Å; E188-C190 PolarHBondContact O-SG 2.91Å |
| 189 | N | 95.6 | Very high | 92.8 | Very high | 58 Ų | 58 | 69.4 Ų | 69.4 | 31% | 0.31 | 37% | 0.373 | S | S | . | . | S | Bend | trans | 52.2 | 34 | 175.3 | -50.8 | -39 | 0 | 0 | 0 | 113.4 | L167 C259 Q260 I261 | L167-N189 WeakPolarHBondContact O-CB 3.44Å; L167-N189 PolarHBondContact O-ND2 2.87Å; N189-C259 CarbonylContact O-C 3.59Å; N189-C259 WeakPolarHBondContact O-CA 3.45Å; N189-Q260 WeakPolarHBondContact O-CB 3.5Å; N189-Q260 PolarHBondContact O-N 3.1Å; N189-I261 HydrophobicContact CB-CD1 3.97Å |
| 190 | C | 96 | Very high | 92.3 | Very high | 22 Ų | 22 | 69.6 Ų | 69.6 | 15% | 0.149 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 141.3 | -178.7 | -71.7 | 0 | 0 | 0 | 0 | 110.7 | V187 E188 V257 F258 | V187-C190 HydrophobicContact CB-CB 4.17Å; V187-C190 HydrophobicContact CG2-CB 3.74Å; E188-C190 PolarHBondContact O-N 3.18Å; E188-C190 PolarHBondContact O-SG 2.91Å; C190-V257 HydrophobicContact CB-CG1 3.83Å; C190-F258 CarbonylContact C-O 3.54Å; C190-F258 WeakPolarHBondContact CA-O 3.48Å |
| 191 | T | 96.7 | Very high | 91.4 | Very high | 66 Ų | 66 | 73.9 Ų | 73.9 | 41% | 0.405 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 123.6 | 176.6 | -58.7 | 0 | 0 | 0 | 0 | 109.9 | V257 F258 | T191-V257 WeakPolarHBondContact O-CA 3.5Å; T191-F258 PolarHBondContact N-O 2.91Å; T191-F258 PolarHBondContact O-N 2.95Å |
| 192 | V | 96.5 | Very high | 90.1 | Very high | 37 Ų | 37 | 75.4 Ų | 75.4 | 22% | 0.224 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 124 | 179.2 | -171.4 | 0 | 0 | 0 | 0 | 109.9 | L194 H255 V257 F269 Y275 | V192-L194 HydrophobicContact CB-CD2 4.48Å; V192-L194 HydrophobicContact CG1-CD2 3.71Å; V192-L194 HydrophobicContact CG1-CG 4.35Å; V192-L194 PolarHBondContact O-N 2.79Å; V192-H255 HydrophobicContact CG1-CB 3.76Å; V192-V257 HydrophobicContact CG1-CG2 4.34Å; V192-V257 HydrophobicContact CG2-CG1 4.35Å; V192-V257 HydrophobicContact CG2-CG2 4.02Å; V192-F269 HydrophobicContact CG1-CB 3.94Å; V192-F269 HydrophobicContact CG1-CD1 4.21Å; V192-F269 HydrophobicContact CG1-CG 4.26Å; V192-F269 HydrophobicContact CG2-CB 4.45Å; V192-F269 HydrophobicContact CG2-CG 4.46Å; V192-Y275 HydrophobicContact CG2-CE1 3.69Å |
| 193 | K | 94.4 | Very high | 88.3 | Confident | 86 Ų | 86 | 78.2 Ų | 78.2 | 37% | 0.374 | 43% | 0.429 | S | S | . | . | trans | -88.8 | 92.1 | 172.2 | -71.8 | -169.2 | -169.1 | 163.9 | 0 | 110.2 | N195 E196 P256 F258 | K193-N195 PolarHBondContact O-N 3.31Å; K193-E196 IonicContact NZ-OE1 3.8Å; K193-E196 PolarHBondContact O-N 3.31Å; K193-P256 HydrophobicContact CB-CG 4.34Å; K193-P256 PolarHBondContact N-O 3.47Å; K193-F258 HydrophobicContact CB-CE2 4.18Å; K193-F258 HydrophobicContact CD-CD2 3.89Å; K193-F258 HydrophobicContact CD-CE2 3.41Å; K193-F258 VanDerWaalsContact CD-CE2 3.41Å; K193-F258 HydrophobicContact CD-CZ 4.14Å; K193-F258 VanDerWaalsContact CE-CE2 3.49Å; K193-F258 HydrophobicContact CG-CD2 3.81Å; K193-F258 HydrophobicContact CG-CE2 3.71Å | ||
| 194 | L | 91.8 | Very high | 86.2 | Confident | 114 Ų | 114 | 80 Ų | 80 | 60% | 0.597 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -15 | 179 | -59.8 | 176.3 | 0 | 0 | 0 | 114.1 | V192 E196 H255 | V192-L194 HydrophobicContact CB-CD2 4.48Å; V192-L194 HydrophobicContact CG1-CD2 3.71Å; V192-L194 HydrophobicContact CG1-CG 4.35Å; V192-L194 PolarHBondContact O-N 2.79Å; L194-E196 VanDerWaalsContact C-N 3.28Å; L194-H255 HydrophobicContact CD2-CB 4.42Å |
| 195 | N | 90 | Very high | 84.2 | Confident | 166 Ų | 166 | 91 Ų | 91 | 89% | 0.888 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -20 | 178.8 | -60.4 | -25.5 | 0 | 0 | 0 | 112.7 | K193 | K193-N195 PolarHBondContact O-N 3.31Š|
| 196 | E | 88.1 | Confident | 82.2 | Confident | 92 Ų | 92 | 94 Ų | 94 | 43% | 0.43 | 50% | 0.5 | S | S | . | . | trans | -107.7 | 126.8 | -179.3 | -67.7 | 171.7 | -155.1 | 0 | 0 | 107.9 | K193 L194 H255 P256 | K193-E196 IonicContact NZ-OE1 3.8Å; K193-E196 PolarHBondContact O-N 3.31Å; L194-E196 VanDerWaalsContact C-N 3.28Å; E196-H255 PolarHBondContact O-CD2 2.92Å; E196-H255 VanDerWaalsContact O-CD2 3.29Å; E196-P256 HydrophobicContact CB-CG 3.77Å; E196-P256 VanDerWaalsContact O-CD 3.24Å; E196-P256 WeakPolarHBondContact O-CD 3.4Å | ||
| 197 | C | 87.5 | Confident | 80.5 | Confident | 61 Ų | 61 | 100.1 Ų | 100.1 | 41% | 0.412 | 53% | 0.527 | S | S | . | . | trans | -124.8 | 123.4 | 177.7 | -177.9 | 0 | 0 | 0 | 0 | 109.4 | Q253 | C197-Q253 VanDerWaalsContact SG-CB 3.55Š| ||
| 198 | L | 87 | Confident | 78.2 | Confident | 84 Ų | 84 | 107.8 Ų | 107.8 | 44% | 0.44 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.2 | 118.7 | 174.9 | -59.1 | 175 | 0 | 0 | 0 | 107.9 | F254 V268 | L198-F254 HydrophobicContact CB-CB 4.43Å; L198-F254 PolarHBondContact N-O 3.2Å; L198-F254 PolarHBondContact O-N 3Å; L198-V268 HydrophobicContact CD1-CG1 3.98Å |
| 199 | T | 85.4 | Confident | 76.3 | Confident | 79 Ų | 79 | 116.5 Ų | 116.5 | 49% | 0.485 | 59% | 0.588 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.1 | 117.6 | 174.7 | -48.3 | 0 | 0 | 0 | 0 | 110.1 | Q201 N252 | T199-Q201 PolarHBondContact O-N 3.24Å; T199-N252 WeakPolarHBondContact CA-O 3.47Å; T199-N252 HydrophobicContact CG2-CB 4.49Å |
| 200 | V | 79.5 | Confident | 74.2 | Confident | 83 Ų | 83 | 125 Ų | 125 | 50% | 0.503 | 62% | 0.616 | S | S | . | * | trans | -78.4 | 106.3 | 173.3 | -179.5 | 0 | 0 | 0 | 0 | 108.1 | P202 N252 F254 | V200-P202 WeakPolarHBondContact O-CD 3.4Å; V200-N252 PolarHBondContact N-O 3.15Å; V200-F254 HydrophobicContact CB-CE2 4.28Å; V200-F254 HydrophobicContact CG2-CD2 3.77Å; V200-F254 HydrophobicContact CG2-CE2 3.66Å | ||
| 201 | Q | 73.4 | Confident | 72 | Confident | 168 Ų | 168 | 132.8 Ų | 132.8 | 79% | 0.785 | 65% | 0.647 | S | S | * | * | trans | -64.6 | 124.2 | 171.5 | -65.8 | -164.6 | 29.1 | 0 | 0 | 108.6 | T199 G203 | T199-Q201 PolarHBondContact O-N 3.24Å; Q201-G203 PolarHBondContact O-N 2.76Å | ||
| 202 | P | 67.1 | Low | 69.2 | Low | 99 Ų | 99 | 139.1 Ų | 139.1 | 64% | 0.643 | 66% | 0.664 | S | S | * | * | trans | -61 | 111 | 175.1 | 24.7 | -32.1 | 0 | 0 | 0 | 107 | V200 T204 | V200-P202 WeakPolarHBondContact O-CD 3.4Å; P202-T204 PolarHBondContact O-N 2.93Å | ||
| 203 | G | 60.5 | Low | 67.1 | Low | 66 Ų | 66 | 144.4 Ų | 144.4 | 68% | 0.68 | 69% | 0.686 | S | S | * | * | trans | -50.7 | 118.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | Q201 R205 | Q201-G203 PolarHBondContact O-N 2.76Å; G203-R205 PolarHBondContact O-N 2.97Å | ||
| 204 | T | 51.6 | Low | 65 | Low | 126 Ų | 126 | 149.7 Ų | 149.7 | 77% | 0.773 | 70% | 0.704 | S | S | * | * | trans | -67.9 | 75.1 | 179 | 55 | 0 | 0 | 0 | 0 | 108.8 | P202 K206 | P202-T204 PolarHBondContact O-N 2.93Å; T204-K206 PolarHBondContact O-N 3.16Å | ||
| 205 | R | 52.4 | Low | 63 | Low | 233 Ų | 233 | 153.1 Ų | 153.1 | 88% | 0.879 | 71% | 0.714 | S | S | * | * | trans | -66.9 | 86.6 | 160.4 | -77.1 | -171 | 137.1 | -163.7 | -2.5 | 105.1 | G203 K207 | G203-R205 PolarHBondContact O-N 2.97Å; R205-K207 VanDerWaalsContact C-N 3.26Å; R205-K207 PolarHBondContact O-N 3.49Å | ||
| 206 | K | 52 | Low | 61 | Low | 187 Ų | 187 | 153.1 Ų | 153.1 | 81% | 0.813 | 71% | 0.708 | S | S | * | * | trans | -46.4 | 97.5 | 168.6 | -69.8 | -179.9 | -179.4 | 176.1 | 0 | 106.2 | T204 K208 | T204-K206 PolarHBondContact O-N 3.16Å; K206-K208 PolarHBondContact O-N 3.14Å | ||
| 207 | K | 56.4 | Low | 58.9 | Low | 195 Ų | 195 | 154.7 Ų | 154.7 | 85% | 0.848 | 72% | 0.724 | S | S | * | * | trans | -62.1 | 94.2 | 167.8 | -78.4 | 177 | 179.5 | 168.6 | 0 | 104.1 | R205 R209 | R205-K207 VanDerWaalsContact C-N 3.26Å; R205-K207 PolarHBondContact O-N 3.49Å; K207-R209 PolarHBondContact O-N 2.96Å | ||
| 208 | K | 46.8 | Very low | 56.9 | Low | 193 Ų | 193 | 159.1 Ų | 159.1 | 84% | 0.839 | 74% | 0.744 | S | S | * | * | trans | -57.4 | 93.7 | 162.3 | -85.9 | -175.5 | 176.1 | 176.7 | 0 | 104.8 | K206 R210 | K206-K208 PolarHBondContact O-N 3.14Å; K208-R210 PolarHBondContact O-N 3.23Å | ||
| 209 | R | 54.5 | Low | 55.1 | Low | 231 Ų | 231 | 159.6 Ų | 159.6 | 87% | 0.872 | 75% | 0.754 | S | S | * | * | trans | -59 | 92.4 | 166 | -73.1 | 176.7 | 67.7 | 149.1 | -0.2 | 105.2 | K207 K211 | K207-R209 PolarHBondContact O-N 2.96Å; R209-K211 PolarHBondContact O-N 2.91Å | ||
| 210 | R | 50.3 | Low | 53.4 | Low | 237 Ų | 237 | 160.9 Ų | 160.9 | 89% | 0.894 | 77% | 0.766 | S | S | * | * | trans | -65.7 | 97.3 | 166 | -67.4 | -175.5 | 87 | 156.8 | 2.8 | 105 | K208 W212 | K208-R210 PolarHBondContact O-N 3.23Å; R210-W212 PolarHBondContact O-N 3.45Å | ||
| 211 | K | 49.8 | Very low | 52 | Low | 185 Ų | 185 | 162.6 Ų | 162.6 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -63.1 | 83.7 | 168.9 | -157.1 | 174.3 | -171.7 | 178.3 | 0 | 105.8 | R209 Q213 | R209-K211 PolarHBondContact O-N 2.91Å; K211-Q213 VanDerWaalsContact C-N 3.29Å; K211-Q213 PolarHBondContact O-N 2.98Å | ||
| 212 | W | 38.8 | Very low | 50.6 | Low | 199 Ų | 199 | 158.5 Ų | 158.5 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | trans | -73 | 94.6 | 172.2 | -168.3 | 41.2 | 0 | 0 | 0 | 106.6 | R210 R214 | R210-W212 PolarHBondContact O-N 3.45Å; W212-R214 HydrophobicContact CD2-CG 4.25Å; W212-R214 HydrophobicContact CE3-CG 4.01Å; W212-R214 HydrophobicContact CH2-CG 4.38Å; W212-R214 HydrophobicContact CZ3-CG 4.11Å; W212-R214 PolarHBondContact O-N 3.49Å; W212-R214 VanDerWaalsContact O-N 3.1Å | ||
| 213 | Q | 52.2 | Low | 49.6 | Very low | 148 Ų | 148 | 161.5 Ų | 161.5 | 69% | 0.692 | 78% | 0.782 | S | S | * | * | trans | -65.9 | 104.3 | 165.4 | -71.7 | -149.8 | -14.4 | 0 | 0 | 107.6 | K211 K215 | K211-Q213 VanDerWaalsContact C-N 3.29Å; K211-Q213 PolarHBondContact O-N 2.98Å; Q213-K215 VanDerWaalsContact C-N 3.32Å; Q213-K215 PolarHBondContact O-N 3Å; Q213-K215 VanDerWaalsContact O-N 3.08Å | ||
| 214 | R | 49.8 | Very low | 48.9 | Very low | 197 Ų | 197 | 166.1 Ų | 166.1 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | trans | -70.3 | 96.3 | 160.1 | -77.9 | -177.7 | 162.6 | 174.4 | -7.5 | 107 | W212 H216 | W212-R214 HydrophobicContact CD2-CG 4.25Å; W212-R214 HydrophobicContact CE3-CG 4.01Å; W212-R214 HydrophobicContact CH2-CG 4.38Å; W212-R214 HydrophobicContact CZ3-CG 4.11Å; W212-R214 PolarHBondContact O-N 3.49Å; W212-R214 VanDerWaalsContact O-N 3.1Å; R214-H216 PolarHBondContact O-N 3.48Å | ||
| 215 | K | 49 | Very low | 48.4 | Very low | 186 Ų | 186 | 163.8 Ų | 163.8 | 81% | 0.809 | 79% | 0.791 | S | S | * | * | trans | -65.6 | 120.9 | 162.5 | -107 | 177.3 | 174.9 | 179.2 | 0 | 107.6 | Q213 T217 | Q213-K215 VanDerWaalsContact C-N 3.32Å; Q213-K215 PolarHBondContact O-N 3Å; Q213-K215 VanDerWaalsContact O-N 3.08Å; K215-T217 PolarHBondContact O-N 3.35Å | ||
| 216 | H | 48.4 | Very low | 48.3 | Very low | 166 Ų | 166 | 160.3 Ų | 160.3 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | -51 | 127.1 | 158.5 | -92.9 | -102.3 | 0 | 0 | 0 | 109.9 | R214 | R214-H216 PolarHBondContact O-N 3.48Š| ||
| 217 | T | 44.8 | Very low | 47.8 | Very low | 126 Ų | 126 | 156.9 Ų | 156.9 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | -135.4 | 100.4 | 149.8 | 54.4 | 0 | 0 | 0 | 0 | 107.3 | K215 | K215-T217 PolarHBondContact O-N 3.35Š| ||
| 218 | N | 45.1 | Very low | 47.5 | Very low | 154 Ų | 154 | 155.6 Ų | 155.6 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | trans | -72.8 | 122.5 | 161.3 | -84.3 | -9.5 | 0 | 0 | 0 | 108 | ||||
| 219 | S | 48.6 | Very low | 47.5 | Very low | 94 Ų | 94 | 155.3 Ų | 155.3 | 66% | 0.657 | 79% | 0.786 | S | S | * | * | trans | -161.3 | 91.3 | 155.4 | 52.6 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 220 | S | 49.6 | Very low | 46.7 | Very low | 105 Ų | 105 | 147.9 Ų | 147.9 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | 57.9 | 134.9 | 94.4 | 67.2 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 221 | S | 51 | Low | 46.3 | Very low | 120 Ų | 120 | 145.1 Ų | 145.1 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | trans | 67.2 | 136.9 | 173.6 | 40.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 222 | A | 44.2 | Very low | 46 | Very low | 81 Ų | 81 | 147.3 Ų | 147.3 | 67% | 0.669 | 79% | 0.786 | S | S | * | * | cis | -170.1 | 153.5 | -5.6 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 223 | E | 45 | Very low | 46.3 | Very low | 163 Ų | 163 | 143 Ų | 143 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | trans | 75.6 | 108 | 149.2 | -45.1 | -118.3 | 132.5 | 0 | 0 | 118.5 | ||||
| 224 | L | 46.7 | Very low | 46.1 | Very low | 162 Ų | 162 | 143.3 Ų | 143.3 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | 76 | 111.6 | 102.4 | -67.7 | 171 | 0 | 0 | 0 | 115.1 | |||||
| 225 | G | 40.5 | Very low | 46.2 | Very low | 77 Ų | 77 | 140.2 Ų | 140.2 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | 157.3 | 76.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 226 | N | 51.7 | Low | 46.1 | Very low | 161 Ų | 161 | 140.2 Ų | 140.2 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | trans | 38.3 | 131.4 | 153.3 | -117 | 19.5 | 0 | 0 | 0 | 123.7 | ||||
| 227 | P | 41 | Very low | 46 | Very low | 114 Ų | 114 | 144.4 Ų | 144.4 | 74% | 0.74 | 80% | 0.799 | S | S | * | * | trans | -106.9 | 135.7 | 169.1 | 36.7 | -24.3 | 0 | 0 | 0 | 112.9 | ||||
| 228 | E | 50.3 | Low | 45.8 | Very low | 169 Ų | 169 | 143.4 Ų | 143.4 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | -156.2 | 133.2 | 153.4 | 79.3 | -178.6 | -177.5 | 0 | 0 | 112.9 | ||||
| 229 | E | 45.9 | Very low | 45.9 | Very low | 187 Ų | 187 | 143.7 Ų | 143.7 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | 68.5 | 128.4 | 150.9 | -34 | -135.3 | 153.1 | 0 | 0 | 118.7 | ||||
| 230 | G | 37.7 | Very low | 46 | Very low | 75 Ų | 75 | 143.7 Ų | 143.7 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | cis | 178.7 | 151.4 | 6.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 231 | L | 42.6 | Very low | 46.1 | Very low | 179 Ų | 179 | 145 Ų | 145 | 94% | 0.937 | 79% | 0.792 | S | S | * | * | trans | 77.5 | 93.7 | 164.5 | -133.4 | 66.6 | 0 | 0 | 0 | 120.6 | ||||
| 232 | R | 43.1 | Very low | 46.3 | Very low | 230 Ų | 230 | 145 Ų | 145 | 87% | 0.868 | 79% | 0.792 | S | S | * | * | trans | -76.4 | 136.8 | 158.6 | -60.9 | 165.6 | 167.1 | -129.2 | -2.4 | 109.7 | ||||
| 233 | S | 46.1 | Very low | 47.1 | Very low | 108 Ų | 108 | 142.4 Ų | 142.4 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | trans | -127.1 | 107.9 | 152 | 61.8 | 0 | 0 | 0 | 0 | 109.9 | V235 | S233-V235 PolarHBondContact O-N 3.43Š| ||
| 234 | N | 47.3 | Very low | 48.2 | Very low | 156 Ų | 156 | 137.2 Ų | 137.2 | 83% | 0.834 | 75% | 0.751 | S | S | * | * | trans | -63.7 | 104.3 | 167.1 | -86.7 | -2.3 | 0 | 0 | 0 | 108.5 | R236 | N234-R236 PolarHBondContact O-N 3.13Š| ||
| 235 | V | 50.7 | Low | 49.4 | Very low | 131 Ų | 131 | 136.4 Ų | 136.4 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | trans | -81.1 | 101.4 | 159.7 | -177.5 | 0 | 0 | 0 | 0 | 107.2 | S233 R237 | S233-V235 PolarHBondContact O-N 3.43Å; V235-R237 PolarHBondContact O-N 3.2Å; V235-R237 VanDerWaalsContact O-N 3.09Å | ||
| 236 | R | 47.6 | Very low | 51 | Low | 187 Ų | 187 | 139 Ų | 139 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | trans | -49.5 | 109.4 | 170 | -143.7 | 176.6 | 168.1 | -170.8 | -18.2 | 107.9 | N234 E238 | N234-R236 PolarHBondContact O-N 3.13Å; R236-E238 VanDerWaalsContact C-N 3.26Å; R236-E238 VanDerWaalsContact CD-CD 3.47Å; R236-E238 VanDerWaalsContact CD-OE2 3.22Å; R236-E238 WeakPolarHBondContact CD-OE2 3.41Å; R236-E238 HydrophobicContact CG-CG 3.89Å; R236-E238 IonicContact CZ-OE1 2.96Å; R236-E238 IonicContact CZ-OE2 3.1Å; R236-E238 IonicContact NE-OE1 2.7Å; R236-E238 PolarHBondContact NE-OE1 3.47Å; R236-E238 IonicContact NE-OE2 2.99Å; R236-E238 PolarHBondContact NE-OE2 2.51Å; R236-E238 IonicContact NH1-OE2 3.65Å; R236-E238 IonicContact NH2-OE1 2.67Å; R236-E238 PolarHBondContact NH2-OE1 3.39Å; R236-E238 IonicContact NH2-OE2 3.39Å; R236-E238 PolarHBondContact NH2-OE2 3.29Å; R236-E238 PolarHBondContact O-N 3.48Å | ||
| 237 | R | 47.5 | Very low | 52.3 | Low | 253 Ų | 253 | 134.5 Ų | 134.5 | 96% | 0.955 | 72% | 0.715 | S | S | * | * | trans | -72.1 | 87.8 | 165.5 | -78 | -179.8 | 171.2 | 178.3 | -2.3 | 107 | V235 | V235-R237 PolarHBondContact O-N 3.2Å; V235-R237 VanDerWaalsContact O-N 3.09Å | ||
| 238 | E | 40.7 | Very low | 54.1 | Low | 105 Ų | 105 | 131.5 Ų | 131.5 | 49% | 0.491 | 69% | 0.693 | S | S | . | * | trans | -114.7 | 141.6 | 169.6 | -75 | -177.5 | 156.3 | 0 | 0 | 109.4 | R236 | R236-E238 VanDerWaalsContact C-N 3.26Å; R236-E238 VanDerWaalsContact CD-CD 3.47Å; R236-E238 VanDerWaalsContact CD-OE2 3.22Å; R236-E238 WeakPolarHBondContact CD-OE2 3.41Å; R236-E238 HydrophobicContact CG-CG 3.89Å; R236-E238 IonicContact CZ-OE1 2.96Å; R236-E238 IonicContact CZ-OE2 3.1Å; R236-E238 IonicContact NE-OE1 2.7Å; R236-E238 PolarHBondContact NE-OE1 3.47Å; R236-E238 IonicContact NE-OE2 2.99Å; R236-E238 PolarHBondContact NE-OE2 2.51Å; R236-E238 IonicContact NH1-OE2 3.65Å; R236-E238 IonicContact NH2-OE1 2.67Å; R236-E238 PolarHBondContact NH2-OE1 3.39Å; R236-E238 IonicContact NH2-OE2 3.39Å; R236-E238 PolarHBondContact NH2-OE2 3.29Å; R236-E238 PolarHBondContact O-N 3.48Å | ||
| 239 | N | 45.9 | Very low | 55.4 | Low | 160 Ų | 160 | 128.9 Ų | 128.9 | 86% | 0.856 | 68% | 0.68 | S | S | * | * | trans | 88.7 | 67.9 | 179.7 | -50.1 | -21.7 | 0 | 0 | 0 | 114 | D241 | N239-D241 PolarHBondContact O-N 3.26Š| ||
| 240 | A | 50.5 | Low | 57.1 | Low | 94 Ų | 94 | 126.9 Ų | 126.9 | 78% | 0.777 | 67% | 0.665 | S | S | * | * | trans | -64.8 | 117.4 | 148.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | S242 | A240-S242 PolarHBondContact O-N 3.44Š| ||
| 241 | D | 51.9 | Low | 59.3 | Low | 132 Ų | 132 | 128.2 Ų | 128.2 | 71% | 0.706 | 65% | 0.649 | S | S | * | * | trans | -51.9 | 106.9 | 176.9 | -162.9 | 9.3 | 0 | 0 | 0 | 111.1 | N239 S243 | N239-D241 PolarHBondContact O-N 3.26Å; D241-S243 PolarHBondContact OD1-OG 3.36Å | ||
| 242 | S | 54.8 | Low | 61.4 | Low | 121 Ų | 121 | 122.1 Ų | 122.1 | 85% | 0.846 | 62% | 0.618 | S | S | * | * | trans | -103.6 | 39.4 | 174.3 | -63.3 | 0 | 0 | 0 | 0 | 110.3 | A240 | A240-S242 PolarHBondContact O-N 3.44Š| ||
| 243 | S | 60.9 | Low | 63.6 | Low | 26 Ų | 26 | 114.4 Ų | 114.4 | 18% | 0.182 | 59% | 0.591 | C | S | . | * | trans | -67.8 | 130.7 | 166.2 | 52.4 | 0 | 0 | 0 | 0 | 108.6 | D241 N248 | D241-S243 PolarHBondContact OD1-OG 3.36Å; S243-N248 PolarHBondContact O-ND2 3.44Å; S243-N248 VanDerWaalsContact OG-CG 3.3Å; S243-N248 PolarHBondContact OG-ND2 3.32Å; S243-N248 PolarHBondContact OG-OD1 3.48Å | ||
| 244 | S | 68.4 | Low | 65.9 | Low | 55 Ų | 55 | 110.7 Ų | 110.7 | 39% | 0.385 | 56% | 0.562 | S | S | . | * | trans | -60.1 | 152.7 | 176 | 67.9 | 0 | 0 | 0 | 0 | 109.7 | E246 D247 N248 | S244-E246 PolarHBondContact O-N 2.82Å; S244-E246 VanDerWaalsContact O-N 3.1Å; S244-D247 PolarHBondContact N-OD2 3.01Å; S244-D247 PolarHBondContact O-N 3.49Å; S244-D247 PolarHBondContact OG-N 3.36Å; S244-D247 PolarHBondContact OG-OD2 3.05Å; S244-N248 PolarHBondContact O-N 3.42Å; S244-N248 PolarHBondContact O-ND2 3.49Å | ||
| 245 | D | 73 | Confident | 68.2 | Low | 145 Ų | 145 | 105 Ų | 105 | 78% | 0.775 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -54.7 | -31.8 | 178.7 | -70.7 | -41.3 | 0 | 0 | 0 | 111.7 | N248 E249 | D245-N248 PolarHBondContact O-N 2.57Å; D245-E249 PolarHBondContact O-N 2.81Å |
| 246 | E | 74.3 | Confident | 70.4 | Confident | 130 Ų | 130 | 98.9 Ų | 98.9 | 61% | 0.607 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.9 | -40.3 | 176 | -59.2 | -172.4 | 166 | 0 | 0 | 113.1 | S244 N248 E249 R250 | S244-E246 PolarHBondContact O-N 2.82Å; S244-E246 VanDerWaalsContact O-N 3.1Å; E246-N248 VanDerWaalsContact C-N 3.31Å; E246-N248 PolarHBondContact O-N 3.34Å; E246-E249 PolarHBondContact O-N 2.99Å; E246-R250 WeakPolarHBondContact O-CG 3.36Å; E246-R250 PolarHBondContact O-N 3.47Å; E246-R250 VanDerWaalsContact O-N 3.1Å |
| 247 | D | 78.3 | Confident | 72.7 | Confident | 68 Ų | 68 | 90 Ų | 90 | 36% | 0.364 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.8 | -37.3 | 178.2 | -64.9 | -45.4 | 0 | 0 | 0 | 111.1 | S244 K251 | S244-D247 PolarHBondContact N-OD2 3.01Å; S244-D247 PolarHBondContact O-N 3.49Å; S244-D247 PolarHBondContact OG-N 3.36Å; S244-D247 PolarHBondContact OG-OD2 3.05Å; D247-K251 WeakPolarHBondContact O-CG 3.49Å; D247-K251 PolarHBondContact O-N 3.18Å |
| 248 | N | 78 | Confident | 75.1 | Confident | 51 Ų | 51 | 79.4 Ų | 79.4 | 27% | 0.273 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -68 | -37.8 | 175.4 | -70.4 | -50.2 | 0 | 0 | 0 | 111.4 | S243 S244 D245 E246 K251 N252 | S243-N248 PolarHBondContact O-ND2 3.44Å; S243-N248 VanDerWaalsContact OG-CG 3.3Å; S243-N248 PolarHBondContact OG-ND2 3.32Å; S243-N248 PolarHBondContact OG-OD1 3.48Å; S244-N248 PolarHBondContact O-N 3.42Å; S244-N248 PolarHBondContact O-ND2 3.49Å; D245-N248 PolarHBondContact O-N 2.57Å; E246-N248 VanDerWaalsContact C-N 3.31Å; E246-N248 PolarHBondContact O-N 3.34Å; N248-K251 PolarHBondContact O-N 3.33Å; N248-N252 VanDerWaalsContact O-CG 3.31Å; N248-N252 PolarHBondContact O-N 2.96Å; N248-N252 PolarHBondContact O-ND2 3.14Å |
| 249 | E | 79.2 | Confident | 77.8 | Confident | 114 Ų | 114 | 74.5 Ų | 74.5 | 53% | 0.533 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 177.2 | -168.9 | 167.4 | -168.1 | 0 | 0 | 111.8 | D245 E246 K251 N252 Q253 | D245-E249 PolarHBondContact O-N 2.81Å; E246-E249 PolarHBondContact O-N 2.99Å; E249-K251 VanDerWaalsContact C-N 3.34Å; E249-K251 PolarHBondContact O-N 3.38Å; E249-N252 PolarHBondContact O-N 3.16Å; E249-Q253 WeakPolarHBondContact O-CG 3.22Å |
| 250 | R | 80.8 | Confident | 80.2 | Confident | 144 Ų | 144 | 72.9 Ų | 72.9 | 54% | 0.543 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.4 | -40.5 | 175.8 | -68.6 | 179.5 | -166.6 | -174.6 | 7.3 | 112.9 | E246 N252 Q253 | E246-R250 WeakPolarHBondContact O-CG 3.36Å; E246-R250 PolarHBondContact O-N 3.47Å; E246-R250 VanDerWaalsContact O-N 3.1Å; R250-N252 PolarHBondContact O-N 3.04Å; R250-Q253 WeakPolarHBondContact O-CB 3.38Å; R250-Q253 PolarHBondContact O-N 3.42Å; R250-Q253 VanDerWaalsContact O-N 3.16Å |
| 251 | K | 84.2 | Confident | 82.4 | Confident | 104 Ų | 104 | 73.3 Ų | 73.3 | 45% | 0.452 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -11.3 | 175.7 | -69.6 | 175.6 | -177.9 | 179.6 | 0 | 114.3 | D247 N248 E249 | D247-K251 WeakPolarHBondContact O-CG 3.49Å; D247-K251 PolarHBondContact O-N 3.18Å; N248-K251 PolarHBondContact O-N 3.33Å; E249-K251 VanDerWaalsContact C-N 3.34Å; E249-K251 PolarHBondContact O-N 3.38Å |
| 252 | N | 86 | Confident | 84.6 | Confident | 51 Ų | 51 | 69.6 Ų | 69.6 | 27% | 0.273 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 5.6 | 176.3 | -67 | -45.9 | 0 | 0 | 0 | 112.4 | T199 V200 N248 E249 R250 F254 | T199-N252 WeakPolarHBondContact CA-O 3.47Å; T199-N252 HydrophobicContact CG2-CB 4.49Å; V200-N252 PolarHBondContact N-O 3.15Å; N248-N252 VanDerWaalsContact O-CG 3.31Å; N248-N252 PolarHBondContact O-N 2.96Å; N248-N252 PolarHBondContact O-ND2 3.14Å; E249-N252 PolarHBondContact O-N 3.16Å; R250-N252 PolarHBondContact O-N 3.04Å; N252-F254 WeakPolarHBondContact O-CD2 3.44Å |
| 253 | Q | 90.4 | Very high | 86.5 | Confident | 67 Ų | 67 | 66.1 Ų | 66.1 | 31% | 0.313 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 123.1 | 178.9 | -71.7 | 177.4 | 7.3 | 0 | 0 | 110.8 | C197 E249 R250 | C197-Q253 VanDerWaalsContact SG-CB 3.55Å; E249-Q253 WeakPolarHBondContact O-CG 3.22Å; R250-Q253 WeakPolarHBondContact O-CB 3.38Å; R250-Q253 PolarHBondContact O-N 3.42Å; R250-Q253 VanDerWaalsContact O-N 3.16Å |
| 254 | F | 94.6 | Very high | 88.3 | Confident | 30 Ų | 30 | 67 Ų | 67 | 13% | 0.132 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 138.7 | -177.9 | -62.4 | -83.7 | 0 | 0 | 0 | 110.9 | L198 V200 N252 V268 F269 D270 | L198-F254 HydrophobicContact CB-CB 4.43Å; L198-F254 PolarHBondContact N-O 3.2Å; L198-F254 PolarHBondContact O-N 3Å; V200-F254 HydrophobicContact CB-CE2 4.28Å; V200-F254 HydrophobicContact CG2-CD2 3.77Å; V200-F254 HydrophobicContact CG2-CE2 3.66Å; N252-F254 WeakPolarHBondContact O-CD2 3.44Å; F254-V268 HydrophobicContact CB-CB 4.05Å; F254-V268 HydrophobicContact CB-CG1 4.45Å; F254-V268 HydrophobicContact CB-CG2 4.37Å; F254-V268 HydrophobicContact CD1-CG2 4.19Å; F254-V268 HydrophobicContact CG-CG2 4.48Å; F254-F269 CarbonylContact C-O 3.55Å; F254-F269 WeakPolarHBondContact CA-O 3.3Å; F254-D270 HydrophobicContact CD1-CB 3.93Å; F254-D270 HydrophobicContact CE1-CB 3.75Å; F254-D270 VanDerWaalsContact CE1-CG 3.44Å |
| 255 | H | 94.9 | Very high | 89.6 | Confident | 37 Ų | 37 | 68.3 Ų | 68.3 | 17% | 0.171 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 130 | 178.4 | -56.2 | 86.1 | 0 | 0 | 0 | 110.1 | V192 L194 E196 V268 F269 | V192-H255 HydrophobicContact CG1-CB 3.76Å; L194-H255 HydrophobicContact CD2-CB 4.42Å; E196-H255 PolarHBondContact O-CD2 2.92Å; E196-H255 VanDerWaalsContact O-CD2 3.29Å; H255-V268 CarbonylContact O-C 3.54Å; H255-V268 WeakPolarHBondContact O-CA 3.08Å; H255-F269 HydrophobicContact CB-CB 4.37Å; H255-F269 PolarHBondContact N-O 3.06Å; H255-F269 PolarHBondContact O-N 3.33Å |
| 256 | P | 96.3 | Very high | 90.7 | Very high | 3 Ų | 3 | 61.4 Ų | 61.4 | 2% | 0.019 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 143.4 | -178.8 | 27.7 | -31.6 | 0 | 0 | 0 | 111.3 | K193 E196 F258 | K193-P256 HydrophobicContact CB-CG 4.34Å; K193-P256 PolarHBondContact N-O 3.47Å; E196-P256 HydrophobicContact CB-CG 3.77Å; E196-P256 VanDerWaalsContact O-CD 3.24Å; E196-P256 WeakPolarHBondContact O-CD 3.4Å; P256-F258 HydrophobicContact CB-CE2 3.78Å; P256-F258 HydrophobicContact CB-CZ 4.1Å; P256-F258 HydrophobicContact CG-CE2 4.02Å; P256-F258 HydrophobicContact CG-CZ 4.47Å |
| 257 | V | 96.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 128.4 | -177.2 | -173.6 | 0 | 0 | 0 | 0 | 109.3 | C190 T191 V192 V266 A267 F269 Y275 | C190-V257 HydrophobicContact CB-CG1 3.83Å; T191-V257 WeakPolarHBondContact O-CA 3.5Å; V192-V257 HydrophobicContact CG1-CG2 4.34Å; V192-V257 HydrophobicContact CG2-CG1 4.35Å; V192-V257 HydrophobicContact CG2-CG2 4.02Å; V257-V266 PolarHBondContact O-N 3.49Å; V257-A267 WeakPolarHBondContact CA-O 3.46Å; V257-A267 HydrophobicContact CB-CB 3.86Å; V257-A267 WeakPolarHBondContact CB-O 3.37Å; V257-A267 HydrophobicContact CG1-CB 4.38Å; V257-A267 HydrophobicContact CG2-CB 4.22Å; V257-A267 PolarHBondContact N-O 3.14Å; V257-A267 PolarHBondContact O-N 3.36Å; V257-F269 HydrophobicContact CG2-CB 3.74Å; V257-Y275 HydrophobicContact CG1-CD1 4.16Å; V257-Y275 HydrophobicContact CG1-CE1 4.13Å; V257-Y275 HydrophobicContact CG2-CD1 3.94Å; V257-Y275 HydrophobicContact CG2-CE1 4.1Å |
| 258 | F | 97.1 | Very high | 92.6 | Very high | 31 Ų | 31 | 53 Ų | 53 | 14% | 0.136 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 147.9 | -176.8 | -61.1 | -92.7 | 0 | 0 | 0 | 110.2 | C190 T191 K193 P256 Q260 G263 T264 E265 | C190-F258 CarbonylContact C-O 3.54Å; C190-F258 WeakPolarHBondContact CA-O 3.48Å; T191-F258 PolarHBondContact N-O 2.91Å; T191-F258 PolarHBondContact O-N 2.95Å; K193-F258 HydrophobicContact CB-CE2 4.18Å; K193-F258 HydrophobicContact CD-CD2 3.89Å; K193-F258 HydrophobicContact CD-CE2 3.41Å; K193-F258 VanDerWaalsContact CD-CE2 3.41Å; K193-F258 HydrophobicContact CD-CZ 4.14Å; K193-F258 VanDerWaalsContact CE-CE2 3.49Å; K193-F258 HydrophobicContact CG-CD2 3.81Å; K193-F258 HydrophobicContact CG-CE2 3.71Å; P256-F258 HydrophobicContact CB-CE2 3.78Å; P256-F258 HydrophobicContact CB-CZ 4.1Å; P256-F258 HydrophobicContact CG-CE2 4.02Å; P256-F258 HydrophobicContact CG-CZ 4.47Å; F258-Q260 PolarHBondContact O-N 2.93Å; F258-G263 WeakPolarHBondContact CD1-O 3.45Å; F258-T264 CarbonylContact C-O 3.57Å; F258-T264 VanDerWaalsContact CA-O 3.28Å; F258-T264 WeakPolarHBondContact CA-O 3.07Å; F258-E265 HydrophobicContact CD1-CB 3.96Å; F258-E265 HydrophobicContact CE1-CB 3.77Å; F258-E265 HydrophobicContact CE1-CG 4.17Å; F258-E265 HydrophobicContact CZ-CG 4.47Å |
| 259 | C | 97.5 | Very high | 93.5 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.007 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 127.4 | 166.3 | 179.6 | 0 | 0 | 0 | 0 | 108.8 | C161 L168 N189 I261 G263 T264 V266 | C161-C259 HydrophobicContact CB-CB 4.47Å; L168-C259 HydrophobicContact CD2-CB 4.38Å; N189-C259 CarbonylContact O-C 3.59Å; N189-C259 WeakPolarHBondContact O-CA 3.45Å; C259-I261 PolarHBondContact O-N 3.07Å; C259-G263 WeakPolarHBondContact O-CA 3.22Å; C259-G263 PolarHBondContact O-N 3.38Å; C259-T264 PolarHBondContact N-O 2.9Å; C259-V266 HydrophobicContact CB-CG1 4.25Å |
| 260 | Q | 96.9 | Very high | 94.2 | Very high | 126 Ų | 126 | 48.1 Ų | 48.1 | 59% | 0.589 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65 | -28.1 | -179.6 | -175.2 | 176.8 | -3.6 | 0 | 0 | 112.3 | N189 F258 | N189-Q260 WeakPolarHBondContact O-CB 3.5Å; N189-Q260 PolarHBondContact O-N 3.1Å; F258-Q260 PolarHBondContact O-N 2.93Å |
| 261 | I | 97.1 | Very high | 94.7 | Very high | 104 Ų | 104 | 44.4 Ų | 44.4 | 53% | 0.533 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -46.3 | -173.8 | -67.4 | 158.8 | 0 | 0 | 0 | 111.8 | C164 A166 N189 C259 | C164-I261 HydrophobicContact CB-CG2 4.34Å; A166-I261 HydrophobicContact CB-CD1 3.27Å; A166-I261 HydrophobicContact CB-CG1 4.48Å; N189-I261 HydrophobicContact CB-CD1 3.97Å; C259-I261 PolarHBondContact O-N 3.07Å |
| 262 | C | 97.1 | Very high | 95.1 | Very high | 54 Ų | 54 | 44.6 Ų | 44.6 | 37% | 0.365 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116 | -6.5 | -175.2 | 65.7 | 0 | 0 | 0 | 0 | 114.7 | C161 C164 T264 | C161-C262 PolarHBondContact SG-SG 3.21Å; C164-C262 HydrophobicContact CB-CB 4.01Å; C262-T264 VanDerWaalsContact C-N 3.27Å; C262-T264 PolarHBondContact O-N 3.46Å; C262-T264 PolarHBondContact SG-OG1 3.44Å |
| 263 | G | 95.7 | Very high | 95.4 | Very high | 48 Ų | 48 | 43.6 Ų | 43.6 | 50% | 0.495 | 25% | 0.246 | S | C | . | . | trans | 73.5 | 11.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | F258 C259 | F258-G263 WeakPolarHBondContact CD1-O 3.45Å; C259-G263 WeakPolarHBondContact O-CA 3.22Å; C259-G263 PolarHBondContact O-N 3.38Å | ||
| 264 | T | 96.9 | Very high | 95.6 | Very high | 45 Ų | 45 | 41.9 Ų | 41.9 | 28% | 0.276 | 24% | 0.239 | S | C | . | . | trans | -71.8 | 137.4 | 175.9 | -55.1 | 0 | 0 | 0 | 0 | 110.7 | P162 A163 F258 C259 C262 V266 | P162-T264 HydrophobicContact CG-CG2 4.15Å; A163-T264 HydrophobicContact CB-CG2 4.41Å; A163-T264 WeakPolarHBondContact CB-OG1 3.38Å; F258-T264 CarbonylContact C-O 3.57Å; F258-T264 VanDerWaalsContact CA-O 3.28Å; F258-T264 WeakPolarHBondContact CA-O 3.07Å; C259-T264 PolarHBondContact N-O 2.9Å; C262-T264 VanDerWaalsContact C-N 3.27Å; C262-T264 PolarHBondContact O-N 3.46Å; C262-T264 PolarHBondContact SG-OG1 3.44Å; T264-V266 PolarHBondContact O-N 3.49Å | ||
| 265 | E | 96.6 | Very high | 95.8 | Very high | 82 Ų | 82 | 42.3 Ų | 42.3 | 38% | 0.383 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 123.1 | 173.7 | -170.8 | -178.9 | 175.7 | 0 | 0 | 110.3 | F258 F278 | F258-E265 HydrophobicContact CD1-CB 3.96Å; F258-E265 HydrophobicContact CE1-CB 3.77Å; F258-E265 HydrophobicContact CE1-CG 4.17Å; F258-E265 HydrophobicContact CZ-CG 4.47Å; E265-F278 HydrophobicContact CG-CE2 4.23Å; E265-F278 HydrophobicContact CG-CZ 4.17Å |
| 266 | V | 96.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | -18.8 | -171.5 | -66.9 | 0 | 0 | 0 | 0 | 113.9 | L168 V257 C259 T264 F277 F278 V280 | L168-V266 HydrophobicContact CD1-CB 3.94Å; L168-V266 HydrophobicContact CD1-CG1 3.94Å; L168-V266 HydrophobicContact CD1-CG2 4.13Å; L168-V266 HydrophobicContact CD2-CG2 4.5Å; V257-V266 PolarHBondContact O-N 3.49Å; C259-V266 HydrophobicContact CB-CG1 4.25Å; T264-V266 PolarHBondContact O-N 3.49Å; V266-F277 HydrophobicContact CB-CD1 4.45Å; V266-F277 HydrophobicContact CG2-CE1 4.2Å; V266-F277 WeakPolarHBondContact O-CA 3.26Å; V266-F277 WeakPolarHBondContact O-CD1 3.45Å; V266-F278 CarbonylContact C-O 3.54Å; V266-F278 PolarHBondContact O-N 3.35Å; V266-V280 HydrophobicContact CB-CG1 4.3Å |
| 267 | A | 96.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 175 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V257 H276 F277 F278 | V257-A267 WeakPolarHBondContact CA-O 3.46Å; V257-A267 HydrophobicContact CB-CB 3.86Å; V257-A267 WeakPolarHBondContact CB-O 3.37Å; V257-A267 HydrophobicContact CG1-CB 4.38Å; V257-A267 HydrophobicContact CG2-CB 4.22Å; V257-A267 PolarHBondContact N-O 3.14Å; V257-A267 PolarHBondContact O-N 3.36Å; A267-H276 CarbonylContact C-O 3.6Å; A267-H276 VanDerWaalsContact CA-O 3.22Å; A267-H276 WeakPolarHBondContact CA-O 3.46Å; A267-H276 VanDerWaalsContact CB-O 3.3Å; A267-H276 WeakPolarHBondContact CB-O 3.04Å; A267-F277 HydrophobicContact CB-CB 4.4Å; A267-F277 HydrophobicContact CB-CD1 3.57Å; A267-F277 HydrophobicContact CB-CD2 4.48Å; A267-F277 HydrophobicContact CB-CE1 3.87Å; A267-F277 HydrophobicContact CB-CG 3.91Å; A267-F277 HydrophobicContact CB-CZ 4.46Å; A267-F278 VanDerWaalsContact C-CE1 3.41Å |
| 268 | V | 96.1 | Very high | 95.7 | Very high | 22 Ų | 22 | 45 Ų | 45 | 13% | 0.133 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 147.2 | 162 | -74.3 | 0 | 0 | 0 | 0 | 110.4 | L198 F254 H255 H276 F278 | L198-V268 HydrophobicContact CD1-CG1 3.98Å; F254-V268 HydrophobicContact CB-CB 4.05Å; F254-V268 HydrophobicContact CB-CG1 4.45Å; F254-V268 HydrophobicContact CB-CG2 4.37Å; F254-V268 HydrophobicContact CD1-CG2 4.19Å; F254-V268 HydrophobicContact CG-CG2 4.48Å; H255-V268 CarbonylContact O-C 3.54Å; H255-V268 WeakPolarHBondContact O-CA 3.08Å; V268-H276 HydrophobicContact CG2-CB 3.79Å; V268-H276 PolarHBondContact N-O 2.72Å; V268-H276 PolarHBondContact O-N 3.27Å; V268-F278 HydrophobicContact CB-CE1 4.22Å; V268-F278 HydrophobicContact CG1-CE1 3.75Å; V268-F278 HydrophobicContact CG1-CZ 4.12Å; V268-F278 HydrophobicContact CG2-CE1 4.05Å |
| 269 | F | 96.4 | Very high | 95.5 | Very high | 46 Ų | 46 | 49.2 Ų | 49.2 | 20% | 0.202 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 122.3 | -177.2 | -177 | -106.9 | 0 | 0 | 0 | 110.4 | V192 F254 H255 V257 G273 Y275 | V192-F269 HydrophobicContact CG1-CB 3.94Å; V192-F269 HydrophobicContact CG1-CD1 4.21Å; V192-F269 HydrophobicContact CG1-CG 4.26Å; V192-F269 HydrophobicContact CG2-CB 4.45Å; V192-F269 HydrophobicContact CG2-CG 4.46Å; F254-F269 CarbonylContact C-O 3.55Å; F254-F269 WeakPolarHBondContact CA-O 3.3Å; H255-F269 HydrophobicContact CB-CB 4.37Å; H255-F269 PolarHBondContact N-O 3.06Å; H255-F269 PolarHBondContact O-N 3.33Å; V257-F269 HydrophobicContact CG2-CB 3.74Å; F269-G273 VanDerWaalsContact CE2-C 3.48Å; F269-Y275 HydrophobicContact CB-CE1 4.48Å; F269-Y275 AromaticContact CD2-CD1 3.86Å; F269-Y275 HydrophobicContact CD2-CD1 3.86Å; F269-Y275 AromaticContact CD2-CD2 3.93Å; F269-Y275 HydrophobicContact CD2-CD2 3.93Å; F269-Y275 AromaticContact CD2-CE1 3.62Å; F269-Y275 HydrophobicContact CD2-CE1 3.62Å; F269-Y275 AromaticContact CD2-CE2 3.71Å; F269-Y275 HydrophobicContact CD2-CE2 3.71Å; F269-Y275 AromaticContact CD2-CG 4Å; F269-Y275 HydrophobicContact CD2-CG 4Å; F269-Y275 AromaticContact CD2-CZ 3.54Å; F269-Y275 HydrophobicContact CE2-CD2 4.08Å; F269-Y275 HydrophobicContact CE2-CE1 4.23Å; F269-Y275 AromaticContact CE2-CE2 3.58Å; F269-Y275 HydrophobicContact CE2-CE2 3.58Å; F269-Y275 AromaticContact CE2-CZ 3.65Å; F269-Y275 HydrophobicContact CG-CE1 4.36Å |
| 270 | D | 93.8 | Very high | 95.3 | Very high | 15 Ų | 15 | 50.1 Ų | 50.1 | 8% | 0.08 | 28% | 0.281 | C | S | . | . | trans | -89.2 | 166.2 | -176.7 | -164.8 | 6 | 0 | 0 | 0 | 112.3 | F254 D272 G273 I274 H276 | F254-D270 HydrophobicContact CD1-CB 3.93Å; F254-D270 HydrophobicContact CE1-CB 3.75Å; F254-D270 VanDerWaalsContact CE1-CG 3.44Å; D270-D272 PolarHBondContact O-N 3.34Å; D270-G273 PolarHBondContact O-N 3.29Å; D270-G273 VanDerWaalsContact O-N 3.15Å; D270-I274 PolarHBondContact N-O 3.38Å; D270-H276 IonicContact OD2-NE2 3.88Å | ||
| 271 | C | 91.5 | Very high | 95.2 | Very high | 67 Ų | 67 | 48 Ų | 48 | 45% | 0.453 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -25.7 | 176.4 | 69.7 | 0 | 0 | 0 | 0 | 113.5 | G273 | C271-G273 PolarHBondContact O-N 3.37Š|
| 272 | D | 92.1 | Very high | 95.2 | Very high | 108 Ų | 108 | 45.4 Ų | 45.4 | 58% | 0.578 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | 1.8 | 177.7 | -71.6 | -14.5 | 0 | 0 | 0 | 112.9 | D270 I274 | D270-D272 PolarHBondContact O-N 3.34Å; D272-I274 HydrophobicContact CB-CD1 4.11Å; D272-I274 HydrophobicContact CB-CG1 4.27Å |
| 273 | G | 92.9 | Very high | 94.9 | Very high | 30 Ų | 30 | 45.1 Ų | 45.1 | 31% | 0.309 | 27% | 0.266 | S | S | . | . | S | Bend | trans | 78.4 | 21.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | F269 D270 C271 | F269-G273 VanDerWaalsContact CE2-C 3.48Å; D270-G273 PolarHBondContact O-N 3.29Å; D270-G273 VanDerWaalsContact O-N 3.15Å; C271-G273 PolarHBondContact O-N 3.37Å |
| 274 | I | 95.1 | Very high | 94.2 | Very high | 31 Ų | 31 | 53.5 Ų | 53.5 | 16% | 0.159 | 28% | 0.284 | C | S | . | . | trans | -106.1 | 134.1 | -176.4 | -58.7 | 172.7 | 0 | 0 | 0 | 109.6 | R183 D270 D272 | R183-I274 HydrophobicContact CB-CG2 4.08Å; R183-I274 VanDerWaalsContact NH2-CD1 3.32Å; D270-I274 PolarHBondContact N-O 3.38Å; D272-I274 HydrophobicContact CB-CD1 4.11Å; D272-I274 HydrophobicContact CB-CG1 4.27Å | ||
| 275 | Y | 96.8 | Very high | 92.6 | Very high | 38 Ų | 38 | 54.4 Ų | 54.4 | 15% | 0.149 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 125.3 | 171.7 | -64.6 | -96.2 | 0 | 0 | 0 | 109.9 | R183 A184 V187 V192 V257 F269 | R183-Y275 CarbonylContact C-O 3.59Å; R183-Y275 VanDerWaalsContact CA-O 3.3Å; R183-Y275 WeakPolarHBondContact CA-O 3.32Å; A184-Y275 PolarHBondContact N-O 3.21Å; A184-Y275 PolarHBondContact O-N 3.05Å; V187-Y275 HydrophobicContact CG1-CD1 3.93Å; V187-Y275 HydrophobicContact CG1-CD2 3.57Å; V187-Y275 HydrophobicContact CG1-CE1 4.33Å; V187-Y275 HydrophobicContact CG1-CE2 4.01Å; V187-Y275 HydrophobicContact CG1-CG 3.53Å; V187-Y275 HydrophobicContact CG2-CD1 4.13Å; V187-Y275 HydrophobicContact CG2-CD2 4.17Å; V187-Y275 HydrophobicContact CG2-CE1 3.69Å; V187-Y275 HydrophobicContact CG2-CE2 3.73Å; V187-Y275 HydrophobicContact CG2-CG 4.36Å; V187-Y275 VanDerWaalsContact CG2-CZ 3.48Å; V192-Y275 HydrophobicContact CG2-CE1 3.69Å; V257-Y275 HydrophobicContact CG1-CD1 4.16Å; V257-Y275 HydrophobicContact CG1-CE1 4.13Å; V257-Y275 HydrophobicContact CG2-CD1 3.94Å; V257-Y275 HydrophobicContact CG2-CE1 4.1Å; F269-Y275 HydrophobicContact CB-CE1 4.48Å; F269-Y275 AromaticContact CD2-CD1 3.86Å; F269-Y275 HydrophobicContact CD2-CD1 3.86Å; F269-Y275 AromaticContact CD2-CD2 3.93Å; F269-Y275 HydrophobicContact CD2-CD2 3.93Å; F269-Y275 AromaticContact CD2-CE1 3.62Å; F269-Y275 HydrophobicContact CD2-CE1 3.62Å; F269-Y275 AromaticContact CD2-CE2 3.71Å; F269-Y275 HydrophobicContact CD2-CE2 3.71Å; F269-Y275 AromaticContact CD2-CG 4Å; F269-Y275 HydrophobicContact CD2-CG 4Å; F269-Y275 AromaticContact CD2-CZ 3.54Å; F269-Y275 HydrophobicContact CE2-CD2 4.08Å; F269-Y275 HydrophobicContact CE2-CE1 4.23Å; F269-Y275 AromaticContact CE2-CE2 3.58Å; F269-Y275 HydrophobicContact CE2-CE2 3.58Å; F269-Y275 AromaticContact CE2-CZ 3.65Å; F269-Y275 HydrophobicContact CG-CE1 4.36Å |
| 276 | H | 96 | Very high | 92.4 | Very high | 42 Ų | 42 | 53.1 Ų | 53.1 | 19% | 0.194 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 96.5 | 174.5 | -68.8 | -99.4 | 0 | 0 | 0 | 109.2 | Y182 R183 A267 V268 D270 F278 | Y182-H276 CarbonylContact O-C 3.57Å; R183-H276 PolarHBondContact NE-CE1 3.1Å; R183-H276 VanDerWaalsContact NE-CE1 3.34Å; A267-H276 CarbonylContact C-O 3.6Å; A267-H276 VanDerWaalsContact CA-O 3.22Å; A267-H276 WeakPolarHBondContact CA-O 3.46Å; A267-H276 VanDerWaalsContact CB-O 3.3Å; A267-H276 WeakPolarHBondContact CB-O 3.04Å; V268-H276 HydrophobicContact CG2-CB 3.79Å; V268-H276 PolarHBondContact N-O 2.72Å; V268-H276 PolarHBondContact O-N 3.27Å; D270-H276 IonicContact OD2-NE2 3.88Å; H276-F278 WeakPolarHBondContact O-CD1 3.3Å |
| 277 | F | 97.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 0% | 0.004 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 136.9 | -179.3 | -74.9 | -82.7 | 0 | 0 | 0 | 112 | L159 L168 C169 Q181 Y182 A184 V187 V266 A267 V280 | L159-F277 HydrophobicContact CD1-CB 4.06Å; L159-F277 HydrophobicContact CD1-CD1 4.46Å; L159-F277 HydrophobicContact CD1-CD2 3.7Å; L159-F277 HydrophobicContact CD1-CE2 4.23Å; L159-F277 HydrophobicContact CD1-CG 3.82Å; L168-F277 HydrophobicContact CB-CE1 4.02Å; L168-F277 HydrophobicContact CB-CZ 4.3Å; L168-F277 HydrophobicContact CD1-CD1 4.41Å; L168-F277 HydrophobicContact CD1-CE1 4.07Å; C169-F277 HydrophobicContact CB-CE2 4.29Å; C169-F277 HydrophobicContact CB-CZ 4.49Å; Q181-F277 WeakPolarHBondContact CA-O 3.26Å; Y182-F277 PolarHBondContact N-O 2.94Å; Y182-F277 PolarHBondContact O-N 3.34Å; A184-F277 HydrophobicContact CB-CD2 4.17Å; A184-F277 HydrophobicContact CB-CE2 3.82Å; V187-F277 HydrophobicContact CB-CZ 4.19Å; V187-F277 HydrophobicContact CG1-CE2 3.55Å; V187-F277 HydrophobicContact CG1-CZ 3.44Å; V187-F277 VanDerWaalsContact CG1-CZ 3.44Å; V266-F277 HydrophobicContact CB-CD1 4.45Å; V266-F277 HydrophobicContact CG2-CE1 4.2Å; V266-F277 WeakPolarHBondContact O-CA 3.26Å; V266-F277 WeakPolarHBondContact O-CD1 3.45Å; A267-F277 HydrophobicContact CB-CB 4.4Å; A267-F277 HydrophobicContact CB-CD1 3.57Å; A267-F277 HydrophobicContact CB-CD2 4.48Å; A267-F277 HydrophobicContact CB-CE1 3.87Å; A267-F277 HydrophobicContact CB-CG 3.91Å; A267-F277 HydrophobicContact CB-CZ 4.46Å; F277-V280 HydrophobicContact CB-CG1 4Å; F277-V280 HydrophobicContact CB-CG2 4.05Å; F277-V280 HydrophobicContact CD1-CG1 3.62Å; F277-V280 HydrophobicContact CG-CG1 4.2Å |
| 278 | F | 94.6 | Very high | 91.9 | Very high | 53 Ų | 53 | 58.9 Ų | 58.9 | 23% | 0.232 | 33% | 0.325 | C | S | . | . | trans | -141 | 157.3 | 170.8 | 53.1 | -93.2 | 0 | 0 | 0 | 108.9 | E265 V266 A267 V268 H276 V280 | E265-F278 HydrophobicContact CG-CE2 4.23Å; E265-F278 HydrophobicContact CG-CZ 4.17Å; V266-F278 CarbonylContact C-O 3.54Å; V266-F278 PolarHBondContact O-N 3.35Å; A267-F278 VanDerWaalsContact C-CE1 3.41Å; V268-F278 HydrophobicContact CB-CE1 4.22Å; V268-F278 HydrophobicContact CG1-CE1 3.75Å; V268-F278 HydrophobicContact CG1-CZ 4.12Å; V268-F278 HydrophobicContact CG2-CE1 4.05Å; H276-F278 WeakPolarHBondContact O-CD1 3.3Å; F278-V280 PolarHBondContact O-N 2.86Å | ||
| 279 | N | 91.1 | Very high | 91.7 | Very high | 121 Ų | 121 | 61.1 Ų | 61.1 | 65% | 0.647 | 34% | 0.336 | S | S | * | . | S | Bend | trans | 56.5 | 32 | -175.9 | -56.8 | -22.1 | 0 | 0 | 0 | 114.1 | P162 | P162-N279 WeakPolarHBondContact CD-O 3.09Å; P162-N279 WeakPolarHBondContact CG-O 3.32Å |
| 280 | V | 94.5 | Very high | 91.4 | Very high | 20 Ų | 20 | 62.1 Ų | 62.1 | 12% | 0.121 | 34% | 0.344 | C | S | . | . | trans | -100.1 | 154 | 176.8 | -67.7 | 0 | 0 | 0 | 0 | 112.1 | L159 L168 Y182 V266 F277 F278 | L159-V280 HydrophobicContact CD1-CG2 4.38Å; L159-V280 HydrophobicContact CD2-CG2 4Å; L168-V280 HydrophobicContact CD1-CG1 3.83Å; Y182-V280 HydrophobicContact CD2-CG2 3.93Å; Y182-V280 HydrophobicContact CE2-CG2 4.25Å; V266-V280 HydrophobicContact CB-CG1 4.3Å; F277-V280 HydrophobicContact CB-CG1 4Å; F277-V280 HydrophobicContact CB-CG2 4.05Å; F277-V280 HydrophobicContact CD1-CG1 3.62Å; F277-V280 HydrophobicContact CG-CG1 4.2Å; F278-V280 PolarHBondContact O-N 2.86Å | ||
| 281 | L | 95.6 | Very high | 91.2 | Very high | 81 Ų | 81 | 65.2 Ų | 65.2 | 42% | 0.424 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 121.4 | 170 | -63.5 | 176 | 0 | 0 | 0 | 108.6 | L159 N160 P162 | L159-L281 WeakPolarHBondContact CA-O 3.28Å; N160-L281 HydrophobicContact CB-CB 4.26Å; N160-L281 PolarHBondContact N-O 2.75Å; N160-L281 PolarHBondContact O-N 2.73Å; P162-L281 HydrophobicContact CB-CG 4.43Å |
| 282 | A | 95.5 | Very high | 91.2 | Very high | 50 Ų | 50 | 65.1 Ų | 65.1 | 41% | 0.413 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 115.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | A157 V158 L159 Y182 | A157-A282 HydrophobicContact CB-CB 4Å; V158-A282 WeakPolarHBondContact O-CA 3.34Å; L159-A282 HydrophobicContact CD2-CB 4.18Å; Y182-A282 HydrophobicContact CE2-CB 3.97Å; Y182-A282 WeakPolarHBondContact OH-CB 3.25Å |
| 283 | S | 91.5 | Very high | 91.1 | Very high | 48 Ų | 48 | 61.8 Ų | 61.8 | 34% | 0.336 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 157.5 | 167.7 | 51.2 | 0 | 0 | 0 | 0 | 110.6 | V158 N160 | V158-S283 WeakPolarHBondContact CB-OG 3.25Å; V158-S283 PolarHBondContact N-O 2.95Å; V158-S283 PolarHBondContact O-N 3Å; V158-S283 PolarHBondContact O-OG 2.94Å; N160-S283 PolarHBondContact ND2-OG 3.17Å |
| 284 | Y | 80.6 | Confident | 91 | Very high | 223 Ų | 223 | 64.4 Ų | 64.4 | 88% | 0.875 | 34% | 0.341 | S | S | * | . | trans | -73 | 146.6 | 173.7 | -167 | -100.8 | 0 | 0 | 0 | 109.6 | ||||
| 285 | A | 63.6 | Low | 90.6 | Very high | 65 Ų | 65 | 67.5 Ų | 67.5 | 54% | 0.537 | 36% | 0.358 | S | S | . | . | trans | -102.6 | 0 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | V158 | V158-A285 HydrophobicContact CG2-CB 3.99Š|
Retrieved 285 of 285 residues in 366.5 ms
(Link to these results)