| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.1 | Very low | 52.9 | Low | 236 Ų | 236 | 159.9 Ų | 159.9 | 100% | 1.163 | 86% | 0.861 | S | S | * | * | 0 | 103.1 | 0 | -75.7 | 120.5 | 80.2 | 0 | 0 | 108.3 | |||||
| 2 | N | 46.9 | Very low | 53.7 | Low | 155 Ų | 155 | 158.3 Ų | 158.3 | 83% | 0.829 | 86% | 0.86 | S | S | * | * | trans | -114.9 | 95.1 | 179.3 | -82.2 | 42.9 | 0 | 0 | 0 | 109.1 | ||||
| 3 | N | 49.4 | Very low | 52.9 | Low | 167 Ų | 167 | 161.5 Ų | 161.5 | 89% | 0.893 | 86% | 0.855 | S | S | * | * | trans | -127.2 | 85.9 | 165.7 | -83.1 | -1.1 | 0 | 0 | 0 | 108.5 | ||||
| 4 | K | 57.3 | Low | 53.4 | Low | 209 Ų | 209 | 158.9 Ų | 158.9 | 91% | 0.909 | 85% | 0.852 | S | S | * | * | trans | -90.3 | 100 | 159.2 | -67.3 | -168.1 | -177.6 | -174.6 | 0 | 106.5 | S6 | K4-S6 PolarHBondContact O-N 2.88Š| ||
| 5 | G | 54.8 | Low | 53.7 | Low | 67 Ų | 67 | 160.5 Ų | 160.5 | 69% | 0.691 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 125.8 | 173 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 6 | S | 57.4 | Low | 53.7 | Low | 124 Ų | 124 | 162.2 Ų | 162.2 | 87% | 0.867 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 126.4 | 169.1 | -76 | 0 | 0 | 0 | 0 | 109.6 | K4 | K4-S6 PolarHBondContact O-N 2.88Š|
| 7 | Y | 46.4 | Very low | 54.1 | Low | 217 Ų | 217 | 159.2 Ų | 159.2 | 85% | 0.851 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 141.8 | 168.2 | -67.1 | -87.1 | 0 | 0 | 0 | 110 | ||
| 8 | P | 59.5 | Low | 54.5 | Low | 123 Ų | 123 | 157.2 Ų | 157.2 | 80% | 0.799 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 132.9 | 172.8 | 27.1 | -31.6 | 0 | 0 | 0 | 110.8 | ||
| 9 | Q | 56.8 | Low | 54.4 | Low | 192 Ų | 192 | 152.9 Ų | 152.9 | 90% | 0.897 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 136.8 | 171.4 | -81.6 | -95.4 | -23.5 | 0 | 0 | 110.3 | ||
| 10 | Q | 52.9 | Low | 54.5 | Low | 181 Ų | 181 | 150.1 Ų | 150.1 | 85% | 0.846 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 134.1 | 176.2 | -66 | -178.3 | 11.4 | 0 | 0 | 110.3 | ||
| 11 | A | 61.8 | Low | 54.6 | Low | 88 Ų | 88 | 150.6 Ų | 150.6 | 73% | 0.727 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 132.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y13 | A11-Y13 PolarHBondContact O-N 2.88Š|
| 12 | V | 62.1 | Low | 55.1 | Low | 141 Ų | 141 | 148.6 Ų | 148.6 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 122.4 | 174.1 | 176.1 | 0 | 0 | 0 | 0 | 108.8 | ||
| 13 | Y | 43.8 | Very low | 55.7 | Low | 200 Ų | 200 | 146.3 Ų | 146.3 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 139.7 | 175.4 | -66.8 | -84 | 0 | 0 | 0 | 110.9 | A11 Q15 | A11-Y13 PolarHBondContact O-N 2.88Å; Y13-Q15 PolarHBondContact O-N 3.16Å |
| 14 | P | 59.4 | Low | 55.9 | Low | 125 Ų | 125 | 144.5 Ų | 144.5 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 128.7 | 173 | 26.2 | -31.1 | 0 | 0 | 0 | 110.3 | ||
| 15 | Q | 57.9 | Low | 55.9 | Low | 183 Ų | 183 | 139 Ų | 139 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 128.3 | 172.2 | -74.5 | -73.6 | -36.3 | 0 | 0 | 109.5 | Y13 S17 | Y13-Q15 PolarHBondContact O-N 3.16Å; Q15-S17 PolarHBondContact O-N 2.89Å |
| 16 | Q | 54.3 | Low | 55.9 | Low | 187 Ų | 187 | 144.7 Ų | 144.7 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | trans | -78.9 | 115.8 | 176.9 | -171.2 | 173.5 | -24.5 | 0 | 0 | 109.4 | S18 | Q16-S18 PolarHBondContact O-N 3.38Š| ||
| 17 | S | 59.9 | Low | 56 | Low | 111 Ų | 111 | 147.8 Ų | 147.8 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | trans | -60.9 | 123.4 | 177.5 | -49 | 0 | 0 | 0 | 0 | 111.3 | Q15 A19 | Q15-S17 PolarHBondContact O-N 2.89Å; S17-A19 VanDerWaalsContact C-N 3.31Å; S17-A19 PolarHBondContact O-N 3.29Å | ||
| 18 | S | 61.7 | Low | 56.6 | Low | 123 Ų | 123 | 143.8 Ų | 143.8 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | -89.5 | 43.4 | -178.1 | 54.3 | 0 | 0 | 0 | 0 | 113.6 | Q16 | Q16-S18 PolarHBondContact O-N 3.38Š| ||
| 19 | A | 52.9 | Low | 56.5 | Low | 76 Ų | 76 | 142.5 Ų | 142.5 | 63% | 0.628 | 80% | 0.796 | S | S | * | * | trans | -87.9 | 122.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | S17 I21 | S17-A19 VanDerWaalsContact C-N 3.31Å; S17-A19 PolarHBondContact O-N 3.29Å; A19-I21 PolarHBondContact O-N 3.5Å; A19-I21 VanDerWaalsContact O-N 3.17Å | ||
| 20 | P | 55.3 | Low | 57 | Low | 96 Ų | 96 | 139.3 Ų | 139.3 | 62% | 0.623 | 79% | 0.792 | S | S | * | * | trans | -69.5 | 112.3 | 172.4 | 26.8 | -30.9 | 0 | 0 | 0 | 109.8 | Y22 | P20-Y22 HydrophobicContact CB-CD2 4.03Å; P20-Y22 HydrophobicContact CB-CE2 3.6Å; P20-Y22 HydrophobicContact CG-CD2 4.27Å; P20-Y22 HydrophobicContact CG-CE2 3.7Å; P20-Y22 PolarHBondContact O-N 3.4Å; P20-Y22 VanDerWaalsContact O-N 3.13Å | ||
| 21 | I | 56.1 | Low | 57.7 | Low | 161 Ų | 161 | 140 Ų | 140 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | trans | -76.9 | 92.5 | 169 | -60.3 | -179 | 0 | 0 | 0 | 107 | A19 | A19-I21 PolarHBondContact O-N 3.5Å; A19-I21 VanDerWaalsContact O-N 3.17Å | ||
| 22 | Y | 50.9 | Low | 57.6 | Low | 194 Ų | 194 | 139.3 Ų | 139.3 | 76% | 0.761 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 128.3 | 166.3 | -69.9 | -83.3 | 0 | 0 | 0 | 109.1 | P20 | P20-Y22 HydrophobicContact CB-CD2 4.03Å; P20-Y22 HydrophobicContact CB-CE2 3.6Å; P20-Y22 HydrophobicContact CG-CD2 4.27Å; P20-Y22 HydrophobicContact CG-CE2 3.7Å; P20-Y22 PolarHBondContact O-N 3.4Å; P20-Y22 VanDerWaalsContact O-N 3.13Å |
| 23 | P | 58.8 | Low | 57.9 | Low | 107 Ų | 107 | 137.8 Ų | 137.8 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 144.5 | 167.5 | 26.9 | -31 | 0 | 0 | 0 | 110 | A25 | P23-A25 PolarHBondContact O-N 3.14Š|
| 24 | P | 54.2 | Low | 58.9 | Low | 129 Ų | 129 | 133.3 Ų | 133.3 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -64.5 | 132.9 | 177.8 | 26.8 | -31.4 | 0 | 0 | 0 | 109.9 | ||
| 25 | A | 56.4 | Low | 58.7 | Low | 94 Ų | 94 | 138.1 Ų | 138.1 | 78% | 0.777 | 78% | 0.781 | S | S | * | * | trans | 3.3 | 113.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | P23 Q27 | P23-A25 PolarHBondContact O-N 3.14Å; A25-Q27 PolarHBondContact O-N 3.23Å | ||
| 26 | M | 56.2 | Low | 58.8 | Low | 187 Ų | 187 | 135.5 Ų | 135.5 | 92% | 0.921 | 78% | 0.778 | S | S | * | * | trans | -55.3 | 107.3 | 157.7 | -79.9 | 166.2 | 164.3 | 0 | 0 | 108.5 | V28 | M26-V28 PolarHBondContact O-N 3.41Š| ||
| 27 | Q | 58.5 | Low | 59.3 | Low | 189 Ų | 189 | 133.4 Ų | 133.4 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | trans | -63.4 | 103.8 | 169 | -168.5 | 171.1 | -60.9 | 0 | 0 | 107.4 | A25 S29 | A25-Q27 PolarHBondContact O-N 3.23Å; Q27-S29 PolarHBondContact O-N 2.97Å | ||
| 28 | V | 59.1 | Low | 59.7 | Low | 133 Ų | 133 | 132 Ų | 132 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 118.9 | 177.2 | -172.2 | 0 | 0 | 0 | 0 | 107.5 | M26 | M26-V28 PolarHBondContact O-N 3.41Š|
| 29 | S | 58.6 | Low | 59.9 | Low | 96 Ų | 96 | 131.7 Ų | 131.7 | 67% | 0.671 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 139.4 | 175.3 | -45.6 | 0 | 0 | 0 | 0 | 109.2 | Q27 Q31 | Q27-S29 PolarHBondContact O-N 2.97Å; S29-Q31 PolarHBondContact O-N 3.16Å |
| 30 | P | 66.4 | Low | 60.4 | Low | 125 Ų | 125 | 132.4 Ų | 132.4 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 133.3 | 177.7 | 21.2 | -30 | 0 | 0 | 0 | 110 | A32 | P30-A32 PolarHBondContact O-N 2.98Š|
| 31 | Q | 67.4 | Low | 60.7 | Low | 194 Ų | 194 | 130.5 Ų | 130.5 | 91% | 0.907 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 130.5 | -176.5 | -164 | 151.6 | -20 | 0 | 0 | 110.3 | S29 | S29-Q31 PolarHBondContact O-N 3.16Š|
| 32 | A | 59.8 | Low | 60.5 | Low | 74 Ų | 74 | 132.5 Ų | 132.5 | 61% | 0.612 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 143.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | P30 | P30-A32 PolarHBondContact O-N 2.98Š|
| 33 | P | 67.9 | Low | 60.9 | Low | 109 Ų | 109 | 127.6 Ų | 127.6 | 71% | 0.708 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 144 | 177 | -21.5 | 31.4 | 0 | 0 | 0 | 111 | Y35 | P33-Y35 PolarHBondContact O-N 3.31Å; P33-Y35 VanDerWaalsContact O-N 3.16Å |
| 34 | P | 66.1 | Low | 60.8 | Low | 107 Ų | 107 | 128 Ų | 128 | 70% | 0.695 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 121.9 | 173.8 | 23.3 | -30.5 | 0 | 0 | 0 | 109.5 | T36 | P34-T36 PolarHBondContact O-N 2.65Š|
| 35 | Y | 55.1 | Low | 60.9 | Low | 225 Ų | 225 | 127 Ų | 127 | 88% | 0.882 | 73% | 0.725 | S | S | * | * | trans | -61.5 | 104.9 | 171.2 | -81.1 | -90.3 | 0 | 0 | 0 | 108 | P33 | P33-Y35 PolarHBondContact O-N 3.31Å; P33-Y35 VanDerWaalsContact O-N 3.16Å | ||
| 36 | T | 59.7 | Low | 60.7 | Low | 128 Ų | 128 | 132.3 Ų | 132.3 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | trans | -104.7 | -0 | -178.7 | 38.6 | 0 | 0 | 0 | 0 | 113.1 | P34 | P34-T36 PolarHBondContact O-N 2.65Š| ||
| 37 | D | 65 | Low | 60.5 | Low | 144 Ų | 144 | 128.9 Ų | 128.9 | 77% | 0.77 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -113 | 116.1 | 177.2 | -125.8 | -104 | 0 | 0 | 0 | 109.7 | ||
| 38 | A | 68.8 | Low | 60.2 | Low | 80 Ų | 80 | 124.8 Ų | 124.8 | 66% | 0.661 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 135 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108 | ||
| 39 | P | 63.8 | Low | 59.9 | Low | 117 Ų | 117 | 129.5 Ų | 129.5 | 76% | 0.76 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 138.3 | 178 | 24.1 | -32.8 | 0 | 0 | 0 | 109.5 | A41 | P39-A41 PolarHBondContact O-N 3.38Š|
| 40 | P | 63.9 | Low | 59.5 | Low | 92 Ų | 92 | 134 Ų | 134 | 60% | 0.597 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 138.2 | -179.9 | 20.5 | -30.7 | 0 | 0 | 0 | 109.9 | Y42 | P40-Y42 PolarHBondContact O-N 3.33Š|
| 41 | A | 63 | Low | 58.7 | Low | 55 Ų | 55 | 133.2 Ų | 133.2 | 46% | 0.455 | 70% | 0.698 | S | S | . | * | P | Polyproline II helix | trans | -61.5 | 140.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | P39 S43 E44 | P39-A41 PolarHBondContact O-N 3.38Å; A41-S43 PolarHBondContact O-N 3.34Å; A41-E44 PolarHBondContact O-N 3Å |
| 42 | Y | 51.7 | Low | 57.8 | Low | 203 Ų | 203 | 132.1 Ų | 132.1 | 80% | 0.796 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.2 | -21.3 | -178.1 | -93.5 | -91.1 | 0 | 0 | 0 | 114.4 | P40 I45 | P40-Y42 PolarHBondContact O-N 3.33Å; Y42-I45 HydrophobicContact CD1-CD1 3.7Å; Y42-I45 HydrophobicContact CE1-CD1 4.22Å; Y42-I45 HydrophobicContact CG-CD1 4.15Å; Y42-I45 WeakPolarHBondContact O-CG1 3.46Å |
| 43 | S | 58.3 | Low | 57.3 | Low | 91 Ų | 91 | 134 Ų | 134 | 64% | 0.636 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | -23.5 | 175.7 | 27 | 0 | 0 | 0 | 0 | 114.6 | A41 | A41-S43 PolarHBondContact O-N 3.34Š|
| 44 | E | 56.3 | Low | 56.3 | Low | 116 Ų | 116 | 134.7 Ų | 134.7 | 54% | 0.542 | 71% | 0.706 | S | S | . | * | G | 310 helix | trans | -83.9 | -16.7 | -177.7 | -63.1 | -173.6 | 138.6 | 0 | 0 | 113.1 | A41 Y46 Q47 | A41-E44 PolarHBondContact O-N 3Å; E44-Y46 PolarHBondContact O-N 2.92Å; E44-Q47 PolarHBondContact O-N 3.28Å |
| 45 | I | 56.4 | Low | 55.1 | Low | 108 Ų | 108 | 138.4 Ų | 138.4 | 55% | 0.554 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -72.5 | -15.4 | -177.3 | -27.7 | 171.6 | 0 | 0 | 0 | 112.7 | Y42 | Y42-I45 HydrophobicContact CD1-CD1 3.7Å; Y42-I45 HydrophobicContact CE1-CD1 4.22Å; Y42-I45 HydrophobicContact CG-CD1 4.15Å; Y42-I45 WeakPolarHBondContact O-CG1 3.46Å |
| 46 | Y | 52.9 | Low | 54.7 | Low | 205 Ų | 205 | 132.7 Ų | 132.7 | 80% | 0.804 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -97.4 | 6.6 | -180 | -73.1 | -83.2 | 0 | 0 | 0 | 113.9 | E44 P48 | E44-Y46 PolarHBondContact O-N 2.92Å; Y46-P48 WeakPolarHBondContact O-CD 3.08Å |
| 47 | Q | 51.6 | Low | 54 | Low | 115 Ų | 115 | 129.5 Ų | 129.5 | 54% | 0.537 | 71% | 0.705 | S | S | . | * | trans | -72.8 | 124.3 | 177.9 | -69.4 | -71.3 | -7.7 | 0 | 0 | 110.5 | E44 R49 Y50 | E44-Q47 PolarHBondContact O-N 3.28Å; Q47-R49 PolarHBondContact O-N 3.09Å; Q47-Y50 HydrophobicContact CB-CD2 4.24Å; Q47-Y50 PolarHBondContact O-N 3.42Å; Q47-Y50 VanDerWaalsContact O-N 3.16Å | ||
| 48 | P | 53 | Low | 52.6 | Low | 104 Ų | 104 | 131.1 Ų | 131.1 | 68% | 0.675 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | 2 | -178.6 | 25.2 | -33.4 | 0 | 0 | 0 | 114.4 | Y46 V51 | Y46-P48 WeakPolarHBondContact O-CD 3.08Å; P48-V51 HydrophobicContact CB-CG2 4.48Å; P48-V51 WeakPolarHBondContact O-CG2 3.42Å |
| 49 | R | 52.2 | Low | 51.1 | Low | 232 Ų | 232 | 135.8 Ų | 135.8 | 88% | 0.875 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -17.5 | 173.8 | -150.5 | 179.8 | -169.5 | 177.5 | 2.6 | 113.3 | Q47 | Q47-R49 PolarHBondContact O-N 3.09Š|
| 50 | Y | 50 | Low | 49.9 | Very low | 189 Ų | 189 | 137.5 Ų | 137.5 | 74% | 0.741 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -99.2 | -1.8 | -178.7 | -73.1 | -81.6 | 0 | 0 | 0 | 114.2 | Q47 H52 | Q47-Y50 HydrophobicContact CB-CD2 4.24Å; Q47-Y50 PolarHBondContact O-N 3.42Å; Q47-Y50 VanDerWaalsContact O-N 3.16Å; Y50-H52 PolarHBondContact O-N 3.32Å; Y50-H52 VanDerWaalsContact O-N 3.14Å |
| 51 | V | 49.3 | Very low | 48.9 | Very low | 110 Ų | 110 | 142.6 Ų | 142.6 | 67% | 0.667 | 74% | 0.735 | S | S | * | * | trans | -77.9 | 96.1 | 168.9 | -87.2 | 0 | 0 | 0 | 0 | 109.4 | P48 | P48-V51 HydrophobicContact CB-CG2 4.48Å; P48-V51 WeakPolarHBondContact O-CG2 3.42Å | ||
| 52 | H | 49.5 | Very low | 47.5 | Very low | 171 Ų | 171 | 147.3 Ų | 147.3 | 79% | 0.792 | 75% | 0.749 | S | S | * | * | trans | -63.6 | 133.7 | 166.8 | -88.2 | -139.9 | 0 | 0 | 0 | 109.7 | Y50 S54 | Y50-H52 PolarHBondContact O-N 3.32Å; Y50-H52 VanDerWaalsContact O-N 3.14Å; H52-S54 PolarHBondContact O-N 3.48Å | ||
| 53 | P | 49 | Very low | 47.1 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 74% | 0.74 | 75% | 0.747 | S | S | * | * | trans | -63.6 | 122.7 | 166.6 | 25.6 | -30.1 | 0 | 0 | 0 | 108.4 | Q55 | P53-Q55 PolarHBondContact O-N 3.41Š| ||
| 54 | S | 45.8 | Very low | 45.8 | Very low | 122 Ų | 122 | 146.7 Ų | 146.7 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | trans | -62.1 | 101.7 | 177.7 | 49.6 | 0 | 0 | 0 | 0 | 110.1 | H52 A56 | H52-S54 PolarHBondContact O-N 3.48Å; S54-A56 PolarHBondContact O-N 3.31Å | ||
| 55 | Q | 42.8 | Very low | 44.5 | Very low | 185 Ų | 185 | 151.1 Ų | 151.1 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | trans | -73 | 119.5 | 166.7 | -70.1 | -170.4 | 9.9 | 0 | 0 | 108.6 | P53 G57 | P53-Q55 PolarHBondContact O-N 3.41Å; Q55-G57 PolarHBondContact O-N 2.96Å | ||
| 56 | A | 44.7 | Very low | 43.7 | Very low | 106 Ų | 106 | 151.9 Ų | 151.9 | 88% | 0.876 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -62.5 | 124.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | S54 | S54-A56 PolarHBondContact O-N 3.31Š|
| 57 | G | 46.1 | Very low | 43.1 | Very low | 60 Ų | 60 | 144.5 Ų | 144.5 | 62% | 0.619 | 77% | 0.771 | S | S | * | * | trans | 96.1 | 81.1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q55 | Q55-G57 PolarHBondContact O-N 2.96Š| ||
| 58 | Q | 35 | Very low | 42.7 | Very low | 178 Ų | 178 | 145 Ų | 145 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | -156 | 106.9 | 140.2 | -75.8 | -51.2 | -62 | 0 | 0 | 107.4 | Q60 | Q58-Q60 PolarHBondContact O-N 3.18Å; Q58-Q60 VanDerWaalsContact O-N 3.09Å | ||
| 59 | L | 37.3 | Very low | 42.1 | Very low | 178 Ų | 178 | 147.9 Ų | 147.9 | 93% | 0.932 | 79% | 0.787 | S | S | * | * | trans | -72.6 | 96.9 | 168.6 | -71.3 | 168.2 | 0 | 0 | 0 | 107.5 | Q61 | L59-Q61 PolarHBondContact O-N 3.02Š| ||
| 60 | Q | 39.3 | Very low | 41.9 | Very low | 154 Ų | 154 | 144.1 Ų | 144.1 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | trans | -70.3 | 109.2 | 164.4 | -72.4 | -166.4 | -46.3 | 0 | 0 | 108 | Q58 M62 | Q58-Q60 PolarHBondContact O-N 3.18Å; Q58-Q60 VanDerWaalsContact O-N 3.09Å; Q60-M62 VanDerWaalsContact C-N 3.35Å; Q60-M62 HydrophobicContact CB-CG 4.49Å; Q60-M62 PolarHBondContact O-N 3.02Å | ||
| 61 | Q | 43.3 | Very low | 41.7 | Very low | 199 Ų | 199 | 142.5 Ų | 142.5 | 93% | 0.93 | 77% | 0.774 | S | S | * | * | trans | -66 | 93.2 | 172.2 | -174.5 | 169.7 | 75.1 | 0 | 0 | 108.3 | L59 | L59-Q61 PolarHBondContact O-N 3.02Š| ||
| 62 | M | 33.8 | Very low | 41.6 | Very low | 153 Ų | 153 | 145.3 Ų | 145.3 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | trans | -87 | 126.7 | 177 | -62.6 | -171.2 | 154.1 | 0 | 0 | 109.4 | Q60 Q64 | Q60-M62 VanDerWaalsContact C-N 3.35Å; Q60-M62 HydrophobicContact CB-CG 4.49Å; Q60-M62 PolarHBondContact O-N 3.02Å; M62-Q64 PolarHBondContact O-N 3.39Å | ||
| 63 | A | 41.5 | Very low | 41.3 | Very low | 90 Ų | 90 | 141 Ų | 141 | 74% | 0.744 | 76% | 0.762 | S | S | * | * | trans | -51.3 | 128.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y65 | A63-Y65 PolarHBondContact O-N 3.15Š| ||
| 64 | Q | 31.4 | Very low | 41.4 | Very low | 191 Ų | 191 | 141 Ų | 141 | 89% | 0.893 | 76% | 0.756 | S | S | * | * | trans | -74.7 | 89.9 | -178.2 | -165.1 | 160.6 | 6.6 | 0 | 0 | 109.8 | M62 | M62-Q64 PolarHBondContact O-N 3.39Š| ||
| 65 | Y | 30.5 | Very low | 41.3 | Very low | 209 Ų | 209 | 140.7 Ų | 140.7 | 82% | 0.82 | 75% | 0.751 | S | S | * | * | trans | -68.3 | 129.7 | 162.1 | -95.9 | -93.6 | 0 | 0 | 0 | 108.6 | A63 G67 | A63-Y65 PolarHBondContact O-N 3.15Å; Y65-G67 PolarHBondContact O-N 3.01Å | ||
| 66 | P | 38.8 | Very low | 41.3 | Very low | 124 Ų | 124 | 138.1 Ų | 138.1 | 81% | 0.805 | 74% | 0.739 | S | S | * | * | trans | -74.8 | 76.8 | 171.4 | 30.9 | -31.6 | 0 | 0 | 0 | 108.8 | T68 | P66-T68 PolarHBondContact O-N 3.18Š| ||
| 67 | G | 40.4 | Very low | 41.5 | Very low | 51 Ų | 51 | 136.9 Ų | 136.9 | 53% | 0.526 | 72% | 0.723 | S | S | . | * | trans | -77.5 | 114.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | Y65 Q69 | Y65-G67 PolarHBondContact O-N 3.01Å; G67-Q69 PolarHBondContact O-N 3Å | ||
| 68 | T | 42.7 | Very low | 41.5 | Very low | 124 Ų | 124 | 138.4 Ų | 138.4 | 76% | 0.761 | 72% | 0.716 | S | S | * | * | trans | -60.7 | 85.6 | 169.5 | -10.3 | 0 | 0 | 0 | 0 | 108.7 | P66 M70 | P66-T68 PolarHBondContact O-N 3.18Å; T68-M70 PolarHBondContact O-N 3.24Å | ||
| 69 | Q | 41.7 | Very low | 42.3 | Very low | 166 Ų | 166 | 133.2 Ų | 133.2 | 78% | 0.776 | 70% | 0.703 | S | S | * | * | trans | -73.9 | 94.6 | 174.6 | -62.7 | -67.5 | 20.4 | 0 | 0 | 108.2 | G67 Y71 | G67-Q69 PolarHBondContact O-N 3Å; Q69-Y71 PolarHBondContact O-N 3.01Å | ||
| 70 | M | 46.4 | Very low | 42.7 | Very low | 152 Ų | 152 | 129.6 Ų | 129.6 | 75% | 0.749 | 69% | 0.688 | S | S | * | * | trans | -71.8 | 95.5 | 168.1 | -64.5 | -142.7 | -74.8 | 0 | 0 | 107.8 | T68 M72 | T68-M70 PolarHBondContact O-N 3.24Å; M70-M72 PolarHBondContact O-N 3.4Å | ||
| 71 | Y | 47.3 | Very low | 43.2 | Very low | 156 Ų | 156 | 124.2 Ų | 124.2 | 61% | 0.612 | 67% | 0.674 | S | S | * | * | trans | -77.4 | 109.6 | -178.2 | -155.6 | -98.5 | 0 | 0 | 0 | 109.9 | Q69 Q73 | Q69-Y71 PolarHBondContact O-N 3.01Å; Y71-Q73 PolarHBondContact O-N 3.06Å | ||
| 72 | M | 46.7 | Very low | 43.4 | Very low | 168 Ų | 168 | 121.2 Ų | 121.2 | 83% | 0.828 | 67% | 0.672 | S | S | * | * | trans | -76.4 | 109.3 | 161.5 | -168 | 88.2 | 82.6 | 0 | 0 | 107 | M70 L74 | M70-M72 PolarHBondContact O-N 3.4Å; M72-L74 PolarHBondContact O-N 2.81Å | ||
| 73 | Q | 43.2 | Very low | 44.1 | Very low | 80 Ų | 80 | 121.1 Ų | 121.1 | 37% | 0.374 | 67% | 0.671 | S | S | . | * | trans | -64.1 | 104.9 | -177.5 | -171.2 | 74.2 | 20.6 | 0 | 0 | 110.5 | Y71 A96 | Y71-Q73 PolarHBondContact O-N 3.06Å; Q73-A96 HydrophobicContact CG-CB 4.13Å | ||
| 74 | L | 49.8 | Very low | 44.6 | Very low | 115 Ų | 115 | 119.4 Ų | 119.4 | 60% | 0.602 | 66% | 0.663 | S | S | * | * | trans | -80.9 | 131.5 | 162.2 | -123.1 | 77 | 0 | 0 | 0 | 108.4 | M72 Q76 | M72-L74 PolarHBondContact O-N 2.81Å; L74-Q76 PolarHBondContact O-N 3.5Å | ||
| 75 | P | 44.4 | Very low | 45.5 | Very low | 116 Ų | 116 | 120.2 Ų | 120.2 | 75% | 0.753 | 67% | 0.666 | S | S | * | * | trans | -62.6 | 111 | 174.7 | 23.6 | -30.5 | 0 | 0 | 0 | 109.7 | S77 | P75-S77 PolarHBondContact O-N 2.83Š| ||
| 76 | Q | 43.7 | Very low | 46.6 | Very low | 131 Ų | 131 | 117.6 Ų | 117.6 | 61% | 0.612 | 67% | 0.666 | S | S | * | * | trans | -83.7 | 111.6 | 172.6 | -70.2 | -73.8 | -57.4 | 0 | 0 | 107.8 | L74 | L74-Q76 PolarHBondContact O-N 3.5Š| ||
| 77 | S | 48.8 | Very low | 46.9 | Very low | 79 Ų | 79 | 116.2 Ų | 116.2 | 55% | 0.552 | 66% | 0.655 | S | S | * | * | B | Isolated β-bridge | trans | -91.8 | 126.9 | 167.7 | 59.6 | 0 | 0 | 0 | 0 | 108 | P75 | P75-S77 PolarHBondContact O-N 2.83Å |
| 78 | M | 46.3 | Very low | 47.3 | Very low | 93 Ų | 93 | 119.3 Ų | 119.3 | 46% | 0.458 | 67% | 0.666 | S | S | . | * | trans | -101.4 | 127.8 | 174.8 | 62.5 | -175.5 | -170 | 0 | 0 | 109.2 | V80 M94 | M78-V80 HydrophobicContact CE-CG2 4.23Å; M78-V80 HydrophobicContact CG-CG2 4.45Å; M78-V80 PolarHBondContact O-N 3.12Å; M78-M94 HydrophobicContact CE-CE 3.4Å; M78-M94 HydrophobicContact CE-CG 3.64Å; M78-M94 HydrophobicContact CE-SD 3.13Å; M78-M94 WeakPolarHBondContact CE-SD 3.43Å; M78-M94 HydrophobicContact CG-CG 4Å; M78-M94 HydrophobicContact SD-CE 3.43Å; M78-M94 WeakPolarHBondContact SD-CE 3.13Å; M78-M94 HydrophobicContact SD-CG 3.8Å; M78-M94 HydrophobicContact SD-SD 3.84Å | ||
| 79 | A | 50 | Low | 47.8 | Very low | 69 Ų | 69 | 117.7 Ų | 117.7 | 57% | 0.57 | 65% | 0.651 | S | S | * | * | trans | -79 | 111.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | G81 Y91 | A79-G81 PolarHBondContact O-N 2.95Å; A79-Y91 HydrophobicContact CB-CE1 4.47Å | ||
| 80 | V | 47.2 | Very low | 48.4 | Very low | 102 Ų | 102 | 112.6 Ų | 112.6 | 62% | 0.618 | 64% | 0.637 | S | S | * | * | trans | -85.7 | 96.2 | 176.7 | 176.6 | 0 | 0 | 0 | 0 | 109 | M78 | M78-V80 HydrophobicContact CE-CG2 4.23Å; M78-V80 HydrophobicContact CG-CG2 4.45Å; M78-V80 PolarHBondContact O-N 3.12Å | ||
| 81 | G | 50.3 | Low | 48.2 | Very low | 41 Ų | 41 | 112.2 Ų | 112.2 | 42% | 0.423 | 63% | 0.628 | S | S | . | * | trans | 56.9 | 146.2 | 155.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | A79 M83 M89 | A79-G81 PolarHBondContact O-N 2.95Å; G81-M83 PolarHBondContact O-N 3.43Å; G81-M89 WeakPolarHBondContact O-CE 3.16Å | ||
| 82 | P | 46.3 | Very low | 48 | Very low | 136 Ų | 136 | 112.9 Ų | 112.9 | 88% | 0.883 | 63% | 0.631 | S | S | * | * | trans | -70.2 | 98.3 | 177.3 | 29.6 | -32.6 | 0 | 0 | 0 | 110.8 | ||||
| 83 | M | 48.4 | Very low | 47.9 | Very low | 151 Ų | 151 | 110.7 Ų | 110.7 | 74% | 0.744 | 63% | 0.629 | S | S | * | * | trans | -82.1 | 142 | 159.6 | -73.6 | -73.4 | -175.5 | 0 | 0 | 108.2 | G81 V87 | G81-M83 PolarHBondContact O-N 3.43Å; M83-V87 HydrophobicContact CB-CB 4.31Å; M83-V87 HydrophobicContact CB-CG2 3.86Å | ||
| 84 | G | 51.5 | Low | 48.1 | Very low | 54 Ų | 54 | 111.9 Ų | 111.9 | 56% | 0.557 | 64% | 0.636 | S | S | * | * | trans | -51.8 | 165.4 | -170 | 0 | 0 | 0 | 0 | 0 | 115.2 | N86 V87 | G84-N86 PolarHBondContact O-N 2.74Å; G84-V87 PolarHBondContact O-N 3.18Å | ||
| 85 | H | 52 | Low | 48.5 | Very low | 207 Ų | 207 | 109.6 Ų | 109.6 | 96% | 0.958 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.9 | 19.6 | -166.9 | -69.2 | 83.3 | 0 | 0 | 0 | 119.8 | ||
| 86 | N | 53.5 | Low | 49.2 | Very low | 154 Ų | 154 | 105.5 Ų | 105.5 | 82% | 0.824 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.5 | 4.4 | 177.6 | -149.7 | -108.8 | 0 | 0 | 0 | 116 | G84 | G84-N86 PolarHBondContact O-N 2.74Š|
| 87 | V | 44.5 | Very low | 49.8 | Very low | 96 Ų | 96 | 106.7 Ų | 106.7 | 58% | 0.582 | 62% | 0.624 | S | S | * | * | trans | -101.2 | 120 | -178.9 | -138.2 | 0 | 0 | 0 | 0 | 110.5 | M83 G84 M89 | M83-V87 HydrophobicContact CB-CB 4.31Å; M83-V87 HydrophobicContact CB-CG2 3.86Å; G84-V87 PolarHBondContact O-N 3.18Å; V87-M89 PolarHBondContact O-N 2.79Å | ||
| 88 | P | 47.7 | Very low | 50.3 | Low | 116 Ų | 116 | 104.5 Ų | 104.5 | 75% | 0.753 | 60% | 0.604 | S | S | * | * | trans | -62.1 | 129.1 | 174.5 | 23.5 | -30.5 | 0 | 0 | 0 | 109.7 | A90 | P88-A90 PolarHBondContact O-N 2.66Š| ||
| 89 | M | 54.4 | Low | 51.1 | Low | 89 Ų | 89 | 103.6 Ų | 103.6 | 44% | 0.438 | 61% | 0.605 | S | S | . | * | trans | -58 | 107.2 | 174.2 | -87.5 | -72.7 | -173.1 | 0 | 0 | 109.7 | G81 V87 Y91 | G81-M89 WeakPolarHBondContact O-CE 3.16Å; V87-M89 PolarHBondContact O-N 2.79Å; M89-Y91 HydrophobicContact CB-CD2 4.48Å; M89-Y91 HydrophobicContact CB-CE2 3.95Å; M89-Y91 WeakPolarHBondContact O-CD2 3.47Å; M89-Y91 PolarHBondContact O-N 3Å | ||
| 90 | A | 53.4 | Low | 51.4 | Low | 60 Ų | 60 | 106.4 Ų | 106.4 | 50% | 0.496 | 62% | 0.617 | S | S | . | * | trans | -81 | 105.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | P88 Y92 | P88-A90 PolarHBondContact O-N 2.66Å; A90-Y92 HydrophobicContact CB-CD2 4.39Å; A90-Y92 HydrophobicContact CB-CE2 3.77Å; A90-Y92 PolarHBondContact O-N 3.46Å | ||
| 91 | Y | 42.7 | Very low | 52 | Low | 143 Ų | 143 | 104.3 Ų | 104.3 | 56% | 0.561 | 62% | 0.616 | S | S | * | * | trans | -80.1 | 104.4 | 172 | -69.1 | -87 | 0 | 0 | 0 | 108.9 | A79 M89 | A79-Y91 HydrophobicContact CB-CE1 4.47Å; M89-Y91 HydrophobicContact CB-CD2 4.48Å; M89-Y91 HydrophobicContact CB-CE2 3.95Å; M89-Y91 WeakPolarHBondContact O-CD2 3.47Å; M89-Y91 PolarHBondContact O-N 3Å | ||
| 92 | Y | 42 | Very low | 52.5 | Low | 170 Ų | 170 | 103.6 Ų | 103.6 | 67% | 0.667 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 125.6 | 169.3 | -67.7 | -82.5 | 0 | 0 | 0 | 109.2 | A90 M94 | A90-Y92 HydrophobicContact CB-CD2 4.39Å; A90-Y92 HydrophobicContact CB-CE2 3.77Å; A90-Y92 PolarHBondContact O-N 3.46Å; Y92-M94 PolarHBondContact O-N 3.33Å; Y92-M94 VanDerWaalsContact O-N 3.15Å |
| 93 | P | 44.8 | Very low | 53 | Low | 122 Ų | 122 | 100.3 Ų | 100.3 | 79% | 0.792 | 58% | 0.582 | S | S | * | * | B | Isolated β-bridge | trans | -66.3 | 116.1 | 172.1 | 26.7 | -31.4 | 0 | 0 | 0 | 108.6 | ||
| 94 | M | 49 | Very low | 53.8 | Low | 106 Ų | 106 | 94.1 Ų | 94.1 | 52% | 0.522 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -73.6 | 130.9 | 169.3 | -69.3 | -76.9 | -88 | 0 | 0 | 108.2 | M78 Y92 | M78-M94 HydrophobicContact CE-CE 3.4Å; M78-M94 HydrophobicContact CE-CG 3.64Å; M78-M94 HydrophobicContact CE-SD 3.13Å; M78-M94 WeakPolarHBondContact CE-SD 3.43Å; M78-M94 HydrophobicContact CG-CG 4Å; M78-M94 HydrophobicContact SD-CE 3.43Å; M78-M94 WeakPolarHBondContact SD-CE 3.13Å; M78-M94 HydrophobicContact SD-CG 3.8Å; M78-M94 HydrophobicContact SD-SD 3.84Å; Y92-M94 PolarHBondContact O-N 3.33Å; Y92-M94 VanDerWaalsContact O-N 3.15Å |
| 95 | G | 56.7 | Low | 54.5 | Low | 66 Ų | 66 | 95.7 Ų | 95.7 | 68% | 0.68 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 157.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | M97 | G95-M97 PolarHBondContact O-N 3.45Å; G95-M97 VanDerWaalsContact O-N 3.12Å |
| 96 | A | 59.7 | Low | 55.2 | Low | 31 Ų | 31 | 87.5 Ų | 87.5 | 26% | 0.256 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 118.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q73 Y98 Q142 | Q73-A96 HydrophobicContact CG-CB 4.13Å; A96-Y98 HydrophobicContact CB-CE2 4.26Å; A96-Q142 PolarHBondContact O-NE2 3.4Å |
| 97 | M | 56.3 | Low | 55.6 | Low | 155 Ų | 155 | 88 Ų | 88 | 76% | 0.764 | 51% | 0.51 | S | S | * | . | trans | -100.8 | 115.8 | 175.2 | -174.3 | 133.7 | 159.8 | 0 | 0 | 108.5 | G95 | G95-M97 PolarHBondContact O-N 3.45Å; G95-M97 VanDerWaalsContact O-N 3.12Å | ||
| 98 | Y | 59.7 | Low | 56.5 | Low | 34 Ų | 34 | 84.1 Ų | 84.1 | 13% | 0.133 | 49% | 0.49 | C | S | . | . | P | Polyproline II helix | trans | -90 | 124.4 | 180 | -61.2 | -76.5 | 0 | 0 | 0 | 109.2 | A96 V104 A135 L138 A139 | A96-Y98 HydrophobicContact CB-CE2 4.26Å; Y98-V104 HydrophobicContact CD1-CG2 3.39Å; Y98-V104 HydrophobicContact CE1-CG1 4.34Å; Y98-V104 HydrophobicContact CE1-CG2 3.48Å; Y98-V104 VanDerWaalsContact CE1-CG2 3.48Å; Y98-V104 HydrophobicContact CG-CG2 4.23Å; Y98-A135 PolarHBondContact OH-O 3.21Å; Y98-L138 HydrophobicContact CE2-CB 3.98Å; Y98-A139 HydrophobicContact CD1-CB 4.41Å; Y98-A139 HydrophobicContact CD2-CB 4.05Å; Y98-A139 HydrophobicContact CE1-CB 4.31Å; Y98-A139 HydrophobicContact CE2-CB 3.94Å; Y98-A139 HydrophobicContact CG-CB 4.29Å |
| 99 | P | 62.2 | Low | 57.3 | Low | 74 Ų | 74 | 80 Ų | 80 | 48% | 0.481 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 145.4 | 176 | -23.4 | 32.9 | 0 | 0 | 0 | 111.9 | G101 S102 | P99-G101 PolarHBondContact O-N 3.05Å; P99-S102 WeakPolarHBondContact O-CB 3.18Å; P99-S102 PolarHBondContact O-N 3.42Å; P99-S102 PolarHBondContact O-OG 2.86Å |
| 100 | P | 57.3 | Low | 57.4 | Low | 127 Ų | 127 | 77.1 Ų | 77.1 | 83% | 0.825 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 129.6 | 172.6 | -22.8 | 32.3 | 0 | 0 | 0 | 111.1 | S102 | P100-S102 VanDerWaalsContact C-N 3.31Š|
| 101 | G | 60.4 | Low | 57.7 | Low | 59 Ų | 59 | 76 Ų | 76 | 61% | 0.608 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.3 | 6.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | P99 | P99-G101 PolarHBondContact O-N 3.05Š|
| 102 | S | 59.3 | Low | 58.2 | Low | 25 Ų | 25 | 69.7 Ų | 69.7 | 18% | 0.175 | 42% | 0.416 | C | S | . | . | trans | -67.3 | 150.6 | 171.1 | 58.4 | 0 | 0 | 0 | 0 | 111.8 | P99 P100 A144 N145 | P99-S102 WeakPolarHBondContact O-CB 3.18Å; P99-S102 PolarHBondContact O-N 3.42Å; P99-S102 PolarHBondContact O-OG 2.86Å; P100-S102 VanDerWaalsContact C-N 3.31Å; S102-A144 CarbonylContact O-C 3.41Å; S102-A144 WeakPolarHBondContact O-CA 3.31Å; S102-A144 WeakPolarHBondContact O-CB 3.25Å; S102-A144 VanDerWaalsContact OG-CB 3.31Å; S102-A144 WeakPolarHBondContact OG-CB 3.24Å; S102-N145 PolarHBondContact O-N 2.88Å | ||
| 103 | T | 58 | Low | 58.9 | Low | 67 Ų | 67 | 63 Ų | 63 | 41% | 0.411 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 115.8 | 170.8 | -57.3 | 0 | 0 | 0 | 0 | 109.4 | N145 M147 | T103-N145 CarbonylContact C-O 3.5Å; T103-N145 WeakPolarHBondContact CA-O 3.43Å; T103-N145 HydrophobicContact CG2-CB 4.13Å; T103-M147 HydrophobicContact CG2-CB 3.99Å |
| 104 | V | 64.8 | Low | 59.6 | Low | 22 Ų | 22 | 58.6 Ų | 58.6 | 13% | 0.133 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 118.9 | 177.7 | 177.7 | 0 | 0 | 0 | 0 | 109 | Y98 V106 A139 A144 N145 V146 M147 | Y98-V104 HydrophobicContact CD1-CG2 3.39Å; Y98-V104 HydrophobicContact CE1-CG1 4.34Å; Y98-V104 HydrophobicContact CE1-CG2 3.48Å; Y98-V104 VanDerWaalsContact CE1-CG2 3.48Å; Y98-V104 HydrophobicContact CG-CG2 4.23Å; V104-V106 HydrophobicContact CG1-CG2 4.19Å; V104-A139 HydrophobicContact CB-CB 3.78Å; V104-A139 HydrophobicContact CG1-CB 4.04Å; V104-A139 HydrophobicContact CG2-CB 3.53Å; V104-A144 HydrophobicContact CG2-CB 4.19Å; V104-N145 PolarHBondContact N-O 3.42Å; V104-V146 WeakPolarHBondContact O-CA 3.46Å; V104-M147 PolarHBondContact O-N 2.88Å |
| 105 | L | 66.3 | Low | 59.9 | Low | 87 Ų | 87 | 62 Ų | 62 | 46% | 0.455 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 121.5 | 175.8 | -170.2 | 133.7 | 0 | 0 | 0 | 110.2 | M147 T149 | L105-M147 CarbonylContact C-O 3.52Å; L105-M147 WeakPolarHBondContact CA-O 2.8Å; L105-T149 HydrophobicContact CD1-CG2 4.1Å; L105-T149 HydrophobicContact CD2-CG2 4.09Å; L105-T149 HydrophobicContact CG-CG2 4.15Å |
| 106 | V | 67.3 | Low | 59.9 | Low | 34 Ų | 34 | 64.3 Ų | 64.3 | 21% | 0.206 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 105.8 | 179.6 | -179.7 | 0 | 0 | 0 | 0 | 108.2 | V104 G108 A136 V146 M147 M148 T149 | V104-V106 HydrophobicContact CG1-CG2 4.19Å; V106-G108 PolarHBondContact O-N 3.16Å; V106-A136 HydrophobicContact CB-CB 4.5Å; V106-A136 HydrophobicContact CG1-CB 4.37Å; V106-A136 HydrophobicContact CG2-CB 3.59Å; V106-V146 HydrophobicContact CG2-CG1 3.81Å; V106-M147 PolarHBondContact N-O 2.99Å; V106-M148 HydrophobicContact CB-CB 3.99Å; V106-M148 HydrophobicContact CB-CG 4.04Å; V106-M148 CarbonylContact O-C 3.52Å; V106-M148 WeakPolarHBondContact O-CA 3.28Å; V106-M148 WeakPolarHBondContact O-CB 3.37Å; V106-T149 PolarHBondContact O-N 2.75Å |
| 107 | E | 61.3 | Low | 59.7 | Low | 164 Ų | 164 | 65 Ų | 65 | 77% | 0.766 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 130 | -178.2 | -164.7 | 176.6 | 175.2 | 0 | 0 | 111.3 | G109 T149 | E107-G109 VanDerWaalsContact C-N 3.34Å; E107-G109 PolarHBondContact O-N 3.18Å; E107-T149 VanDerWaalsContact CA-OG1 3.28Å; E107-T149 WeakPolarHBondContact CA-OG1 3.17Å |
| 108 | G | 64 | Low | 59.2 | Low | 16 Ų | 16 | 68.1 Ų | 68.1 | 17% | 0.165 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 68.4 | 28.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | V106 Y110 T149 R151 | V106-G108 PolarHBondContact O-N 3.16Å; G108-Y110 VanDerWaalsContact C-N 3.26Å; G108-Y110 PolarHBondContact O-N 3.43Å; G108-T149 CarbonylContact C-O 3.38Å; G108-T149 VanDerWaalsContact CA-O 3.25Å; G108-T149 WeakPolarHBondContact CA-O 3.28Å; G108-T149 PolarHBondContact N-O 2.95Å; G108-T149 PolarHBondContact N-OG1 2.89Å; G108-R151 WeakPolarHBondContact O-CG 3.27Å; G108-R151 PolarHBondContact O-NE 3.34Å |
| 109 | G | 62.7 | Low | 58.8 | Low | 29 Ų | 29 | 71.9 Ų | 71.9 | 30% | 0.299 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | -13.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | E107 T149 | E107-G109 VanDerWaalsContact C-N 3.34Å; E107-G109 PolarHBondContact O-N 3.18Å; G109-T149 PolarHBondContact N-O 2.85Å |
| 110 | Y | 58.2 | Low | 58.3 | Low | 28 Ų | 28 | 73.4 Ų | 73.4 | 11% | 0.11 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 152.4 | 178.5 | -56.4 | -67.8 | 0 | 0 | 0 | 113.5 | G108 F116 A122 M148 T149 R151 | G108-Y110 VanDerWaalsContact C-N 3.26Å; G108-Y110 PolarHBondContact O-N 3.43Å; Y110-F116 HydrophobicContact CD1-CE1 4.1Å; Y110-F116 HydrophobicContact CD1-CZ 4.35Å; Y110-F116 AromaticContact CD2-CE1 3.26Å; Y110-F116 HydrophobicContact CD2-CE1 3.26Å; Y110-F116 HydrophobicContact CD2-CE2 4.41Å; Y110-F116 AromaticContact CD2-CZ 3.15Å; Y110-F116 HydrophobicContact CD2-CZ 3.15Å; Y110-F116 HydrophobicContact CE1-CE1 4.26Å; Y110-F116 HydrophobicContact CE2-CD1 4.41Å; Y110-F116 AromaticContact CE2-CE1 3.33Å; Y110-F116 HydrophobicContact CE2-CE1 3.33Å; Y110-F116 AromaticContact CE2-CZ 3.74Å; Y110-F116 HydrophobicContact CE2-CZ 3.74Å; Y110-F116 AromaticContact CG-CE1 3.64Å; Y110-F116 HydrophobicContact CG-CE1 3.64Å; Y110-F116 AromaticContact CG-CZ 3.49Å; Y110-F116 HydrophobicContact CG-CZ 3.49Å; Y110-F116 VanDerWaalsContact CG-CZ 3.49Å; Y110-F116 AromaticContact CZ-CE1 3.93Å; Y110-A122 WeakPolarHBondContact OH-CA 3.45Å; Y110-A122 WeakPolarHBondContact OH-CB 3.2Å; Y110-M148 HydrophobicContact CD1-SD 4.47Å; Y110-M148 HydrophobicContact CD2-CB 3.69Å; Y110-M148 WeakPolarHBondContact CD2-O 3.14Å; Y110-M148 HydrophobicContact CE1-CG 4.46Å; Y110-M148 HydrophobicContact CE1-SD 3.73Å; Y110-M148 HydrophobicContact CE2-CB 3.23Å; Y110-M148 HydrophobicContact CE2-CG 3.76Å; Y110-M148 WeakPolarHBondContact CE2-O 3.34Å; Y110-M148 HydrophobicContact CE2-SD 4.08Å; Y110-M148 VanDerWaalsContact OH-CG 3.24Å; Y110-M148 WeakPolarHBondContact OH-CG 2.86Å; Y110-M148 PolarHBondContact OH-SD 2.93Å; Y110-T149 PolarHBondContact N-O 2.85Å; Y110-R151 WeakPolarHBondContact O-CB 3.31Å; Y110-R151 WeakPolarHBondContact O-CG 3.05Å; Y110-R151 PolarHBondContact O-N 3.36Å |
| 111 | D | 59.7 | Low | 57.8 | Low | 37 Ų | 37 | 72.6 Ų | 72.6 | 20% | 0.198 | 43% | 0.427 | C | S | . | . | trans | -62.3 | 151.6 | 171.7 | -177.6 | -108.4 | 0 | 0 | 0 | 112.3 | G113 A114 Q150 | D111-G113 PolarHBondContact O-N 3.45Å; D111-G113 VanDerWaalsContact O-N 3.09Å; D111-G113 WeakPolarHBondContact OD1-CA 3.25Å; D111-G113 PolarHBondContact OD1-N 2.9Å; D111-A114 VanDerWaalsContact O-CB 3.31Å; D111-A114 WeakPolarHBondContact O-CB 3.42Å; D111-A114 PolarHBondContact O-N 3.33Å; D111-Q150 PolarHBondContact O-NE2 3.17Å; D111-Q150 VanDerWaalsContact O-NE2 3.12Å | ||
| 112 | A | 52.3 | Low | 57.4 | Low | 11 Ų | 11 | 71.9 Ų | 71.9 | 9% | 0.091 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -20.5 | 174 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q150 N153 G159 | A112-Q150 PolarHBondContact O-NE2 3.24Å; A112-N153 WeakPolarHBondContact CB-OD1 3.2Å; A112-G159 WeakPolarHBondContact CB-O 3.43Å |
| 113 | G | 57.8 | Low | 57.1 | Low | 28 Ų | 28 | 75.3 Ų | 75.3 | 29% | 0.289 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -9.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115 | D111 R115 | D111-G113 PolarHBondContact O-N 3.45Å; D111-G113 VanDerWaalsContact O-N 3.09Å; D111-G113 WeakPolarHBondContact OD1-CA 3.25Å; D111-G113 PolarHBondContact OD1-N 2.9Å; G113-R115 PolarHBondContact O-N 3.36Å; G113-R115 PolarHBondContact O-NH1 3.16Å |
| 114 | A | 58.1 | Low | 56.9 | Low | 31 Ų | 31 | 74.2 Ų | 74.2 | 26% | 0.256 | 43% | 0.43 | S | S | . | . | trans | -62.3 | 134.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | D111 F116 | D111-A114 VanDerWaalsContact O-CB 3.31Å; D111-A114 WeakPolarHBondContact O-CB 3.42Å; D111-A114 PolarHBondContact O-N 3.33Å; A114-F116 HydrophobicContact CB-CZ 4.15Å | ||
| 115 | R | 55.4 | Low | 56.5 | Low | 177 Ų | 177 | 74.9 Ų | 74.9 | 67% | 0.668 | 44% | 0.435 | S | S | * | . | trans | -109.1 | 123.4 | 179 | -60.3 | -65.4 | -179.5 | -102.9 | 1.6 | 109 | G113 N120 | G113-R115 PolarHBondContact O-N 3.36Å; G113-R115 PolarHBondContact O-NH1 3.16Å; R115-N120 PolarHBondContact O-ND2 3.48Å | ||
| 116 | F | 57.2 | Low | 55.7 | Low | 115 Ų | 115 | 75.6 Ų | 75.6 | 50% | 0.504 | 45% | 0.445 | S | S | . | . | trans | -95.3 | 100.1 | 175.9 | -52.1 | -75.6 | 0 | 0 | 0 | 108.3 | Y110 A114 | Y110-F116 HydrophobicContact CD1-CE1 4.1Å; Y110-F116 HydrophobicContact CD1-CZ 4.35Å; Y110-F116 AromaticContact CD2-CE1 3.26Å; Y110-F116 HydrophobicContact CD2-CE1 3.26Å; Y110-F116 HydrophobicContact CD2-CE2 4.41Å; Y110-F116 AromaticContact CD2-CZ 3.15Å; Y110-F116 HydrophobicContact CD2-CZ 3.15Å; Y110-F116 HydrophobicContact CE1-CE1 4.26Å; Y110-F116 HydrophobicContact CE2-CD1 4.41Å; Y110-F116 AromaticContact CE2-CE1 3.33Å; Y110-F116 HydrophobicContact CE2-CE1 3.33Å; Y110-F116 AromaticContact CE2-CZ 3.74Å; Y110-F116 HydrophobicContact CE2-CZ 3.74Å; Y110-F116 AromaticContact CG-CE1 3.64Å; Y110-F116 HydrophobicContact CG-CE1 3.64Å; Y110-F116 AromaticContact CG-CZ 3.49Å; Y110-F116 HydrophobicContact CG-CZ 3.49Å; Y110-F116 VanDerWaalsContact CG-CZ 3.49Å; Y110-F116 AromaticContact CZ-CE1 3.93Å; A114-F116 HydrophobicContact CB-CZ 4.15Å | ||
| 117 | G | 55.6 | Low | 54.8 | Low | 46 Ų | 46 | 77 Ų | 77 | 47% | 0.474 | 46% | 0.455 | S | S | . | . | trans | -100.6 | 165.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | S119 N120 | G117-S119 PolarHBondContact O-N 3.45Å; G117-N120 PolarHBondContact O-N 2.96Å | ||
| 118 | Q | 45.6 | Very low | 54.4 | Low | 219 Ų | 219 | 70.8 Ų | 70.8 | 100% | 1.023 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -15.7 | 177.6 | -91.9 | 175.2 | 35.1 | 0 | 0 | 115.1 | ||
| 119 | S | 50.5 | Low | 54.3 | Low | 113 Ų | 113 | 76.3 Ų | 76.3 | 79% | 0.79 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.3 | -2.2 | 179.8 | -162.1 | 0 | 0 | 0 | 0 | 113.7 | G117 S121 | G117-S119 PolarHBondContact O-N 3.45Å; S119-S121 PolarHBondContact O-N 3.17Å |
| 120 | N | 52.2 | Low | 53.8 | Low | 107 Ų | 107 | 79.1 Ų | 79.1 | 57% | 0.572 | 49% | 0.491 | S | S | * | . | trans | -93.6 | 82 | -174.9 | -131.3 | 36.1 | 0 | 0 | 0 | 109.5 | R115 G117 A122 | R115-N120 PolarHBondContact O-ND2 3.48Å; G117-N120 PolarHBondContact O-N 2.96Å; N120-A122 PolarHBondContact O-N 3.14Å | ||
| 121 | S | 47.8 | Very low | 53.7 | Low | 110 Ų | 110 | 83.8 Ų | 83.8 | 77% | 0.769 | 51% | 0.513 | S | S | * | . | trans | -57.4 | 129.7 | 173.9 | -55.2 | 0 | 0 | 0 | 0 | 109.7 | S119 S123 | S119-S121 PolarHBondContact O-N 3.17Å; S121-S123 PolarHBondContact O-N 3.35Å | ||
| 122 | A | 52.2 | Low | 53.4 | Low | 43 Ų | 43 | 90.5 Ų | 90.5 | 36% | 0.355 | 55% | 0.545 | S | S | . | . | trans | -37.2 | 94.2 | 162.8 | 0 | 0 | 0 | 0 | 0 | 112 | Y110 N120 I124 | Y110-A122 WeakPolarHBondContact OH-CA 3.45Å; Y110-A122 WeakPolarHBondContact OH-CB 3.2Å; N120-A122 PolarHBondContact O-N 3.14Å; A122-I124 PolarHBondContact O-N 3.29Å | ||
| 123 | S | 52.2 | Low | 53.6 | Low | 97 Ų | 97 | 92.3 Ų | 92.3 | 68% | 0.678 | 56% | 0.557 | S | S | * | * | trans | -76.4 | 101.6 | 176.9 | -169.6 | 0 | 0 | 0 | 0 | 108 | S121 P125 | S121-S123 PolarHBondContact O-N 3.35Å; S123-P125 VanDerWaalsContact O-CD 3.27Å; S123-P125 WeakPolarHBondContact O-CD 3.49Å | ||
| 124 | I | 54.9 | Low | 53.8 | Low | 44 Ų | 44 | 94.5 Ų | 94.5 | 23% | 0.226 | 56% | 0.562 | C | S | . | * | trans | -78.9 | 110.3 | 167.3 | -47.9 | -166.2 | 0 | 0 | 0 | 105.9 | A122 Q137 A140 V146 M148 | A122-I124 PolarHBondContact O-N 3.29Å; I124-Q137 HydrophobicContact CG2-CG 3.53Å; I124-A140 HydrophobicContact CD1-CB 3.58Å; I124-V146 HydrophobicContact CD1-CB 3.94Å; I124-V146 HydrophobicContact CD1-CG1 4.03Å; I124-V146 HydrophobicContact CD1-CG2 4.05Å; I124-M148 HydrophobicContact CB-CE 4.21Å; I124-M148 HydrophobicContact CD1-CE 3.84Å; I124-M148 HydrophobicContact CG1-CE 3.55Å; I124-M148 HydrophobicContact CG2-CE 4.11Å | ||
| 125 | P | 54.9 | Low | 54.1 | Low | 37 Ų | 37 | 95.8 Ų | 95.8 | 24% | 0.24 | 57% | 0.572 | C | S | . | * | P | Polyproline II helix | trans | -62.3 | 143 | 179.2 | 25.7 | -32.9 | 0 | 0 | 0 | 109.7 | S123 Q137 W167 | S123-P125 VanDerWaalsContact O-CD 3.27Å; S123-P125 WeakPolarHBondContact O-CD 3.49Å; P125-Q137 PolarHBondContact O-NE2 3.47Å; P125-W167 HydrophobicContact CB-CE3 4.18Å; P125-W167 HydrophobicContact CB-CH2 3.59Å; P125-W167 HydrophobicContact CB-CZ3 3.39Å; P125-W167 HydrophobicContact CG-CE3 3.98Å; P125-W167 HydrophobicContact CG-CH2 4.28Å; P125-W167 HydrophobicContact CG-CZ3 3.56Å |
| 126 | P | 50.1 | Low | 54.5 | Low | 102 Ų | 102 | 87.5 Ų | 87.5 | 66% | 0.662 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 147.7 | 177.2 | 26.2 | -33.8 | 0 | 0 | 0 | 110.5 | ||
| 127 | P | 48.9 | Very low | 54.9 | Low | 63 Ų | 63 | 82.8 Ų | 82.8 | 41% | 0.409 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 137.2 | -179.8 | 22.8 | -30.8 | 0 | 0 | 0 | 110.7 | ||
| 128 | P | 52.9 | Low | 55.5 | Low | 33 Ų | 33 | 83.6 Ų | 83.6 | 21% | 0.214 | 51% | 0.514 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 145.4 | 173.1 | -19.7 | 30.7 | 0 | 0 | 0 | 110.6 | G130 H131 W167 | P128-G130 PolarHBondContact O-N 3.3Å; P128-H131 HydrophobicContact CB-CB 4.24Å; P128-H131 HydrophobicContact CG-CB 4.35Å; P128-H131 PolarHBondContact O-N 3.13Å; P128-H131 VanDerWaalsContact O-N 3.11Å; P128-W167 VanDerWaalsContact CG-CD1 3.44Å; P128-W167 HydrophobicContact CG-CG 4.18Å |
| 129 | P | 60.3 | Low | 56.3 | Low | 132 Ų | 132 | 73.2 Ų | 73.2 | 86% | 0.857 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | 125.6 | 172.7 | -26 | 34.5 | 0 | 0 | 0 | 111 | H131 | P129-H131 PolarHBondContact O-ND1 3.34Š|
| 130 | G | 54 | Low | 57 | Low | 89 Ų | 89 | 69.9 Ų | 69.9 | 92% | 0.918 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.6 | -0.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | P128 | P128-G130 PolarHBondContact O-N 3.3Š|
| 131 | H | 55.3 | Low | 57.8 | Low | 125 Ų | 125 | 71.7 Ų | 71.7 | 58% | 0.579 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | trans | -102.7 | 139.1 | 179.3 | -67 | 65.8 | 0 | 0 | 0 | 111.3 | P128 P129 | P128-H131 HydrophobicContact CB-CB 4.24Å; P128-H131 HydrophobicContact CG-CB 4.35Å; P128-H131 PolarHBondContact O-N 3.13Å; P128-H131 VanDerWaalsContact O-N 3.11Å; P129-H131 PolarHBondContact O-ND1 3.34Å |
| 132 | M | 53.4 | Low | 58.6 | Low | 178 Ų | 178 | 70 Ų | 70 | 88% | 0.877 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 139.2 | 176.3 | -70.1 | -177.4 | 63.1 | 0 | 0 | 110.3 | N134 | M132-N134 PolarHBondContact O-N 3Š|
| 133 | P | 55.5 | Low | 59 | Low | 50 Ų | 50 | 70.6 Ų | 70.6 | 33% | 0.325 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 134.1 | 178.6 | -22.9 | 32.7 | 0 | 0 | 0 | 111.7 | Q137 L138 | P133-Q137 VanDerWaalsContact CA-OE1 3.3Å; P133-Q137 HydrophobicContact CB-CB 4.06Å; P133-L138 HydrophobicContact CB-CD2 3.98Å; P133-L138 HydrophobicContact CB-CG 4.06Å; P133-L138 HydrophobicContact CG-CD2 4.4Å |
| 134 | N | 63.3 | Low | 59.4 | Low | 74 Ų | 74 | 66.4 Ų | 66.4 | 40% | 0.396 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 165 | 176.2 | 74.1 | 25.3 | 0 | 0 | 0 | 111.2 | M132 A136 Q137 L138 | M132-N134 PolarHBondContact O-N 3Å; N134-A136 PolarHBondContact O-N 3.26Å; N134-A136 VanDerWaalsContact OD1-CB 3.28Å; N134-A136 WeakPolarHBondContact OD1-CB 3.29Å; N134-A136 PolarHBondContact OD1-N 2.97Å; N134-A136 VanDerWaalsContact OD1-N 3.16Å; N134-Q137 VanDerWaalsContact CG-CD 3.5Å; N134-Q137 WeakPolarHBondContact O-CA 3.41Å; N134-Q137 WeakPolarHBondContact O-CB 3.28Å; N134-Q137 PolarHBondContact O-N 3.28Å; N134-Q137 WeakPolarHBondContact OD1-CB 3.44Å; N134-Q137 WeakPolarHBondContact OD1-CG 3.19Å; N134-Q137 PolarHBondContact OD1-N 3.27Å; N134-L138 PolarHBondContact O-N 2.8Å |
| 135 | A | 63.4 | Low | 59.6 | Low | 57 Ų | 57 | 68.9 Ų | 68.9 | 47% | 0.471 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -57.2 | -34.7 | -177 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y98 A139 | Y98-A135 PolarHBondContact OH-O 3.21Å; A135-A139 VanDerWaalsContact O-CB 3.25Å; A135-A139 WeakPolarHBondContact O-CB 3.36Å; A135-A139 PolarHBondContact O-N 3.45Å |
| 136 | A | 64.3 | Low | 59.9 | Low | 3 Ų | 3 | 68.2 Ų | 68.2 | 3% | 0.025 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -65.6 | -40.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V106 N134 A139 A140 V146 M148 | V106-A136 HydrophobicContact CB-CB 4.5Å; V106-A136 HydrophobicContact CG1-CB 4.37Å; V106-A136 HydrophobicContact CG2-CB 3.59Å; N134-A136 PolarHBondContact O-N 3.26Å; N134-A136 VanDerWaalsContact OD1-CB 3.28Å; N134-A136 WeakPolarHBondContact OD1-CB 3.29Å; N134-A136 PolarHBondContact OD1-N 2.97Å; N134-A136 VanDerWaalsContact OD1-N 3.16Å; A136-A139 PolarHBondContact O-N 2.85Å; A136-A140 WeakPolarHBondContact O-CB 3.34Å; A136-A140 PolarHBondContact O-N 2.95Å; A136-V146 HydrophobicContact CB-CG1 3.96Å; A136-V146 WeakPolarHBondContact O-CG2 3.15Å; A136-M148 HydrophobicContact CB-CE 3.63Å |
| 137 | Q | 65.3 | Low | 60.6 | Low | 17 Ų | 17 | 69 Ų | 69 | 8% | 0.079 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -70 | -42.7 | 177.8 | -71.7 | 162.7 | -9.1 | 0 | 0 | 110.4 | I124 P125 P133 N134 A139 A140 M141 | I124-Q137 HydrophobicContact CG2-CG 3.53Å; P125-Q137 PolarHBondContact O-NE2 3.47Å; P133-Q137 VanDerWaalsContact CA-OE1 3.3Å; P133-Q137 HydrophobicContact CB-CB 4.06Å; N134-Q137 VanDerWaalsContact CG-CD 3.5Å; N134-Q137 WeakPolarHBondContact O-CA 3.41Å; N134-Q137 WeakPolarHBondContact O-CB 3.28Å; N134-Q137 PolarHBondContact O-N 3.28Å; N134-Q137 WeakPolarHBondContact OD1-CB 3.44Å; N134-Q137 WeakPolarHBondContact OD1-CG 3.19Å; N134-Q137 PolarHBondContact OD1-N 3.27Å; Q137-A139 VanDerWaalsContact C-N 3.32Å; Q137-A139 PolarHBondContact O-N 2.83Å; Q137-A140 PolarHBondContact O-N 3.11Å; Q137-M141 WeakPolarHBondContact O-CB 3.43Å; Q137-M141 WeakPolarHBondContact O-CG 3.06Å; Q137-M141 PolarHBondContact O-N 3.1Å |
| 138 | L | 68.6 | Low | 61.5 | Low | 63 Ų | 63 | 66.9 Ų | 66.9 | 33% | 0.33 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.9 | -41.1 | 174.3 | -70.5 | 173.8 | 0 | 0 | 0 | 111.8 | Y98 P133 N134 Q142 | Y98-L138 HydrophobicContact CE2-CB 3.98Å; P133-L138 HydrophobicContact CB-CD2 3.98Å; P133-L138 HydrophobicContact CB-CG 4.06Å; P133-L138 HydrophobicContact CG-CD2 4.4Å; N134-L138 PolarHBondContact O-N 2.8Å; L138-Q142 VanDerWaalsContact O-CG 3.29Å; L138-Q142 WeakPolarHBondContact O-CG 3.32Å; L138-Q142 PolarHBondContact O-N 2.87Å |
| 139 | A | 62.9 | Low | 62 | Low | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -63.2 | -48.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y98 V104 A135 A136 Q137 M141 Q142 G143 A144 V146 | Y98-A139 HydrophobicContact CD1-CB 4.41Å; Y98-A139 HydrophobicContact CD2-CB 4.05Å; Y98-A139 HydrophobicContact CE1-CB 4.31Å; Y98-A139 HydrophobicContact CE2-CB 3.94Å; Y98-A139 HydrophobicContact CG-CB 4.29Å; V104-A139 HydrophobicContact CB-CB 3.78Å; V104-A139 HydrophobicContact CG1-CB 4.04Å; V104-A139 HydrophobicContact CG2-CB 3.53Å; A135-A139 VanDerWaalsContact O-CB 3.25Å; A135-A139 WeakPolarHBondContact O-CB 3.36Å; A135-A139 PolarHBondContact O-N 3.45Å; A136-A139 PolarHBondContact O-N 2.85Å; Q137-A139 VanDerWaalsContact C-N 3.32Å; Q137-A139 PolarHBondContact O-N 2.83Å; A139-M141 PolarHBondContact O-N 3.17Å; A139-Q142 PolarHBondContact O-N 2.81Å; A139-Q142 VanDerWaalsContact O-N 3.16Å; A139-G143 PolarHBondContact O-N 3.12Å; A139-A144 HydrophobicContact CB-CB 4.1Å; A139-A144 VanDerWaalsContact O-CB 3.28Å; A139-A144 WeakPolarHBondContact O-CB 3.19Å; A139-A144 PolarHBondContact O-N 3.2Å; A139-V146 HydrophobicContact CB-CG2 3.72Å |
| 140 | A | 64.4 | Low | 62 | Low | 43 Ų | 43 | 64.9 Ų | 64.9 | 36% | 0.355 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.8 | -39 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | I124 A136 Q137 Q142 G143 V146 | I124-A140 HydrophobicContact CD1-CB 3.58Å; A136-A140 WeakPolarHBondContact O-CB 3.34Å; A136-A140 PolarHBondContact O-N 2.95Å; Q137-A140 PolarHBondContact O-N 3.11Å; A140-Q142 PolarHBondContact O-N 3.06Å; A140-G143 PolarHBondContact O-N 3.33Å; A140-G143 VanDerWaalsContact O-N 3.14Å; A140-V146 HydrophobicContact CB-CG2 4Å |
| 141 | M | 68.9 | Low | 62.6 | Low | 146 Ų | 146 | 66.5 Ų | 66.5 | 72% | 0.719 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -63.7 | -29.8 | 175.6 | -73.5 | 177 | 81 | 0 | 0 | 112.5 | Q137 A139 G143 | Q137-M141 WeakPolarHBondContact O-CB 3.43Å; Q137-M141 WeakPolarHBondContact O-CG 3.06Å; Q137-M141 PolarHBondContact O-N 3.1Å; A139-M141 PolarHBondContact O-N 3.17Å; M141-G143 VanDerWaalsContact C-N 3.28Å |
| 142 | Q | 65.7 | Low | 62.7 | Low | 75 Ų | 75 | 69 Ų | 69 | 35% | 0.35 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 7.9 | 177.8 | -66.5 | 178.5 | 37.4 | 0 | 0 | 113 | A96 L138 A139 A140 A144 | A96-Q142 PolarHBondContact O-NE2 3.4Å; L138-Q142 VanDerWaalsContact O-CG 3.29Å; L138-Q142 WeakPolarHBondContact O-CG 3.32Å; L138-Q142 PolarHBondContact O-N 2.87Å; A139-Q142 PolarHBondContact O-N 2.81Å; A139-Q142 VanDerWaalsContact O-N 3.16Å; A140-Q142 PolarHBondContact O-N 3.06Å; Q142-A144 VanDerWaalsContact C-N 3.28Å; Q142-A144 PolarHBondContact O-N 2.82Å |
| 143 | G | 60.2 | Low | 62.8 | Low | 54 Ų | 54 | 64.7 Ų | 64.7 | 56% | 0.557 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.4 | 16.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | A139 A140 M141 | A139-G143 PolarHBondContact O-N 3.12Å; A140-G143 PolarHBondContact O-N 3.33Å; A140-G143 VanDerWaalsContact O-N 3.14Å; M141-G143 VanDerWaalsContact C-N 3.28Å |
| 144 | A | 59.9 | Low | 62.7 | Low | 9 Ų | 9 | 66.2 Ų | 66.2 | 7% | 0.074 | 36% | 0.355 | C | S | . | . | trans | -75 | 145.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | S102 V104 A139 Q142 V146 | S102-A144 CarbonylContact O-C 3.41Å; S102-A144 WeakPolarHBondContact O-CA 3.31Å; S102-A144 WeakPolarHBondContact O-CB 3.25Å; S102-A144 VanDerWaalsContact OG-CB 3.31Å; S102-A144 WeakPolarHBondContact OG-CB 3.24Å; V104-A144 HydrophobicContact CG2-CB 4.19Å; A139-A144 HydrophobicContact CB-CB 4.1Å; A139-A144 VanDerWaalsContact O-CB 3.28Å; A139-A144 WeakPolarHBondContact O-CB 3.19Å; A139-A144 PolarHBondContact O-N 3.2Å; Q142-A144 VanDerWaalsContact C-N 3.28Å; Q142-A144 PolarHBondContact O-N 2.82Å; A144-V146 PolarHBondContact O-N 3.2Å | ||
| 145 | N | 58.6 | Low | 62.2 | Low | 96 Ų | 96 | 72.2 Ų | 72.2 | 51% | 0.513 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 127.4 | 168.2 | -66 | -59.3 | 0 | 0 | 0 | 108.1 | S102 T103 V104 | S102-N145 PolarHBondContact O-N 2.88Å; T103-N145 CarbonylContact C-O 3.5Å; T103-N145 WeakPolarHBondContact CA-O 3.43Å; T103-N145 HydrophobicContact CG2-CB 4.13Å; V104-N145 PolarHBondContact N-O 3.42Å |
| 146 | V | 62.8 | Low | 61.8 | Low | 24 Ų | 24 | 78.6 Ų | 78.6 | 15% | 0.145 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 112.6 | 177.1 | -178.5 | 0 | 0 | 0 | 0 | 108.2 | V104 V106 I124 A136 A139 A140 A144 M148 | V104-V146 WeakPolarHBondContact O-CA 3.46Å; V106-V146 HydrophobicContact CG2-CG1 3.81Å; I124-V146 HydrophobicContact CD1-CB 3.94Å; I124-V146 HydrophobicContact CD1-CG1 4.03Å; I124-V146 HydrophobicContact CD1-CG2 4.05Å; A136-V146 HydrophobicContact CB-CG1 3.96Å; A136-V146 WeakPolarHBondContact O-CG2 3.15Å; A139-V146 HydrophobicContact CB-CG2 3.72Å; A140-V146 HydrophobicContact CB-CG2 4Å; A144-V146 PolarHBondContact O-N 3.2Å; V146-M148 HydrophobicContact CG1-CE 3.89Å; V146-M148 HydrophobicContact CG1-CG 3.95Å |
| 147 | M | 64.3 | Low | 61.3 | Low | 117 Ų | 117 | 85.8 Ų | 85.8 | 58% | 0.576 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 110.1 | 174.3 | -172.8 | 173.8 | -173.1 | 0 | 0 | 107.6 | T103 V104 L105 V106 | T103-M147 HydrophobicContact CG2-CB 3.99Å; V104-M147 PolarHBondContact O-N 2.88Å; L105-M147 CarbonylContact C-O 3.52Å; L105-M147 WeakPolarHBondContact CA-O 2.8Å; V106-M147 PolarHBondContact N-O 2.99Å |
| 148 | M | 67.8 | Low | 60.6 | Low | 19 Ų | 19 | 88 Ų | 88 | 9% | 0.094 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 146.3 | 174.1 | -22 | 168.1 | 149.9 | 0 | 0 | 110.7 | V106 Y110 I124 A136 V146 | V106-M148 HydrophobicContact CB-CB 3.99Å; V106-M148 HydrophobicContact CB-CG 4.04Å; V106-M148 CarbonylContact O-C 3.52Å; V106-M148 WeakPolarHBondContact O-CA 3.28Å; V106-M148 WeakPolarHBondContact O-CB 3.37Å; Y110-M148 HydrophobicContact CD1-SD 4.47Å; Y110-M148 HydrophobicContact CD2-CB 3.69Å; Y110-M148 WeakPolarHBondContact CD2-O 3.14Å; Y110-M148 HydrophobicContact CE1-CG 4.46Å; Y110-M148 HydrophobicContact CE1-SD 3.73Å; Y110-M148 HydrophobicContact CE2-CB 3.23Å; Y110-M148 HydrophobicContact CE2-CG 3.76Å; Y110-M148 WeakPolarHBondContact CE2-O 3.34Å; Y110-M148 HydrophobicContact CE2-SD 4.08Å; Y110-M148 VanDerWaalsContact OH-CG 3.24Å; Y110-M148 WeakPolarHBondContact OH-CG 2.86Å; Y110-M148 PolarHBondContact OH-SD 2.93Å; I124-M148 HydrophobicContact CB-CE 4.21Å; I124-M148 HydrophobicContact CD1-CE 3.84Å; I124-M148 HydrophobicContact CG1-CE 3.55Å; I124-M148 HydrophobicContact CG2-CE 4.11Å; A136-M148 HydrophobicContact CB-CE 3.63Å; V146-M148 HydrophobicContact CG1-CE 3.89Å; V146-M148 HydrophobicContact CG1-CG 3.95Å |
| 149 | T | 63.3 | Low | 59.9 | Low | 44 Ų | 44 | 85.6 Ų | 85.6 | 27% | 0.27 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 156.9 | 175.2 | 70.9 | 0 | 0 | 0 | 0 | 110.2 | L105 V106 E107 G108 G109 Y110 | L105-T149 HydrophobicContact CD1-CG2 4.1Å; L105-T149 HydrophobicContact CD2-CG2 4.09Å; L105-T149 HydrophobicContact CG-CG2 4.15Å; V106-T149 PolarHBondContact O-N 2.75Å; E107-T149 VanDerWaalsContact CA-OG1 3.28Å; E107-T149 WeakPolarHBondContact CA-OG1 3.17Å; G108-T149 CarbonylContact C-O 3.38Å; G108-T149 VanDerWaalsContact CA-O 3.25Å; G108-T149 WeakPolarHBondContact CA-O 3.28Å; G108-T149 PolarHBondContact N-O 2.95Å; G108-T149 PolarHBondContact N-OG1 2.89Å; G109-T149 PolarHBondContact N-O 2.85Å; Y110-T149 PolarHBondContact N-O 2.85Å |
| 150 | Q | 60.8 | Low | 59.3 | Low | 79 Ų | 79 | 90.1 Ų | 90.1 | 37% | 0.369 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 140.1 | 173.6 | 176.7 | 166.8 | 77.9 | 0 | 0 | 110.6 | D111 A112 K152 | D111-Q150 PolarHBondContact O-NE2 3.17Å; D111-Q150 VanDerWaalsContact O-NE2 3.12Å; A112-Q150 PolarHBondContact O-NE2 3.24Å; Q150-K152 PolarHBondContact O-N 2.96Å |
| 151 | R | 65.8 | Low | 58.4 | Low | 124 Ų | 124 | 95 Ų | 95 | 47% | 0.468 | 50% | 0.501 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 129.8 | 170.6 | -75.7 | 180 | -177.8 | 177.5 | -1.9 | 109.4 | G108 Y110 N153 | G108-R151 WeakPolarHBondContact O-CG 3.27Å; G108-R151 PolarHBondContact O-NE 3.34Å; Y110-R151 WeakPolarHBondContact O-CB 3.31Å; Y110-R151 WeakPolarHBondContact O-CG 3.05Å; Y110-R151 PolarHBondContact O-N 3.36Å; R151-N153 PolarHBondContact O-N 3.09Å |
| 152 | K | 57.4 | Low | 57.5 | Low | 178 Ų | 178 | 91 Ų | 91 | 77% | 0.774 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 124.6 | 175.8 | -172.8 | 176.3 | -179.8 | 179.4 | 0 | 109.9 | Q150 N154 | Q150-K152 PolarHBondContact O-N 2.96Å; K152-N154 PolarHBondContact O-N 2.95Å |
| 153 | N | 54.9 | Low | 56.2 | Low | 86 Ų | 86 | 89 Ų | 89 | 46% | 0.46 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 120.6 | 173.6 | -75.7 | 35.6 | 0 | 0 | 0 | 110.2 | A112 R151 G159 | A112-N153 WeakPolarHBondContact CB-OD1 3.2Å; R151-N153 PolarHBondContact O-N 3.09Å; N153-G159 PolarHBondContact ND2-O 2.81Å |
| 154 | N | 53.9 | Low | 55.2 | Low | 82 Ų | 82 | 97 Ų | 97 | 44% | 0.439 | 51% | 0.512 | S | S | . | . | trans | -110.5 | 141.4 | 162.4 | -96.8 | 36.4 | 0 | 0 | 0 | 109.1 | K152 F156 M157 G158 | K152-N154 PolarHBondContact O-N 2.95Å; N154-F156 PolarHBondContact O-N 3.35Å; N154-F156 VanDerWaalsContact O-N 3.1Å; N154-M157 HydrophobicContact CB-CB 4.24Å; N154-M157 HydrophobicContact CB-CG 4.24Å; N154-M157 HydrophobicContact CB-SD 4.36Å; N154-M157 PolarHBondContact O-N 3.43Å; N154-G158 PolarHBondContact O-N 2.89Å | ||
| 155 | F | 52.8 | Low | 54.3 | Low | 201 Ų | 201 | 99.8 Ų | 99.8 | 88% | 0.882 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -30.5 | 178 | -175.8 | -96.9 | 0 | 0 | 0 | 112.9 | ||
| 156 | F | 55.6 | Low | 53.2 | Low | 190 Ų | 190 | 102.6 Ų | 102.6 | 83% | 0.833 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -13.9 | 176.7 | -61.6 | -78.4 | 0 | 0 | 0 | 114.7 | N154 | N154-F156 PolarHBondContact O-N 3.35Å; N154-F156 VanDerWaalsContact O-N 3.1Å |
| 157 | M | 53.4 | Low | 52.3 | Low | 154 Ų | 154 | 110.9 Ų | 110.9 | 76% | 0.759 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -116 | 10.4 | -169.9 | -63.5 | -178.3 | 70.5 | 0 | 0 | 113.9 | N154 | N154-M157 HydrophobicContact CB-CB 4.24Å; N154-M157 HydrophobicContact CB-CG 4.24Å; N154-M157 HydrophobicContact CB-SD 4.36Å; N154-M157 PolarHBondContact O-N 3.43Å |
| 158 | G | 51.1 | Low | 51.7 | Low | 63 Ų | 63 | 110.6 Ų | 110.6 | 65% | 0.649 | 57% | 0.57 | S | S | * | * | trans | 58 | 60.8 | 160.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | N154 S160 | N154-G158 PolarHBondContact O-N 2.89Å; G158-S160 PolarHBondContact O-N 3.45Å | ||
| 159 | G | 53.1 | Low | 50.9 | Low | 13 Ų | 13 | 115.4 Ų | 115.4 | 13% | 0.134 | 60% | 0.595 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -91.2 | 39.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | A112 N153 | A112-G159 WeakPolarHBondContact CB-O 3.43Å; N153-G159 PolarHBondContact ND2-O 2.81Å |
| 160 | S | 51.4 | Low | 50.2 | Low | 95 Ų | 95 | 119.4 Ų | 119.4 | 66% | 0.664 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143 | 0.8 | -179.7 | 62.9 | 0 | 0 | 0 | 0 | 117.3 | G158 | G158-S160 PolarHBondContact O-N 3.45Š|
| 161 | N | 44.4 | Very low | 49.6 | Very low | 146 Ų | 146 | 121.8 Ų | 121.8 | 78% | 0.781 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -115 | 77.1 | -179.7 | -70.3 | -45.4 | 0 | 0 | 0 | 110.4 | G163 | N161-G163 VanDerWaalsContact C-N 3.28Å; N161-G163 PolarHBondContact O-N 3.39Å |
| 162 | G | 50.2 | Low | 48.6 | Very low | 63 Ų | 63 | 121.6 Ų | 121.6 | 65% | 0.649 | 64% | 0.637 | S | S | * | * | trans | 38.6 | 54 | 162 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y164 | G162-Y164 PolarHBondContact O-N 3.44Š| ||
| 163 | G | 38.7 | Very low | 48 | Very low | 33 Ų | 33 | 117.9 Ų | 117.9 | 34% | 0.34 | 63% | 0.628 | S | S | . | * | trans | -73.3 | 119.7 | -166.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | N161 | N161-G163 VanDerWaalsContact C-N 3.28Å; N161-G163 PolarHBondContact O-N 3.39Å | ||
| 164 | Y | 39 | Very low | 47.5 | Very low | 222 Ų | 222 | 120.1 Ų | 120.1 | 87% | 0.871 | 64% | 0.64 | S | S | * | * | trans | -62.8 | 134.1 | 165.6 | -68.7 | -92.6 | 0 | 0 | 0 | 109.6 | G162 I166 | G162-Y164 PolarHBondContact O-N 3.44Å; Y164-I166 PolarHBondContact O-N 3.42Å | ||
| 165 | T | 40.1 | Very low | 47 | Very low | 66 Ų | 66 | 123.1 Ų | 123.1 | 41% | 0.405 | 66% | 0.655 | S | S | . | * | trans | -68.9 | 112.2 | 167.4 | -55.2 | 0 | 0 | 0 | 0 | 108.6 | W167 | T165-W167 HydrophobicContact CG2-CE3 3.72Å; T165-W167 HydrophobicContact CG2-CZ3 4.16Å | ||
| 166 | I | 36.5 | Very low | 46.5 | Very low | 156 Ų | 156 | 116.6 Ų | 116.6 | 80% | 0.8 | 64% | 0.636 | S | S | * | * | trans | -90.4 | 122.1 | 160.8 | -50.9 | 178.4 | 0 | 0 | 0 | 106.4 | Y164 | Y164-I166 PolarHBondContact O-N 3.42Š| ||
| 167 | W | 44.4 | Very low | 45.7 | Very low | 198 Ų | 198 | 109.9 Ų | 109.9 | 75% | 0.75 | 62% | 0.618 | S | S | * | * | trans | -108.5 | 0 | 166.5 | 49 | 66.7 | 0 | 0 | 0 | 109.3 | P125 P128 T165 | P125-W167 HydrophobicContact CB-CE3 4.18Å; P125-W167 HydrophobicContact CB-CH2 3.59Å; P125-W167 HydrophobicContact CB-CZ3 3.39Å; P125-W167 HydrophobicContact CG-CE3 3.98Å; P125-W167 HydrophobicContact CG-CH2 4.28Å; P125-W167 HydrophobicContact CG-CZ3 3.56Å; P128-W167 VanDerWaalsContact CG-CD1 3.44Å; P128-W167 HydrophobicContact CG-CG 4.18Å; T165-W167 HydrophobicContact CG2-CE3 3.72Å; T165-W167 HydrophobicContact CG2-CZ3 4.16Å |
Retrieved 167 of 167 residues in 23.8 ms
(Link to these results)