| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.5 | Very low | 39 | Very low | 248 Ų | 248 | 142.3 Ų | 142.3 | 100% | 1.222 | 83% | 0.825 | S | S | * | * | 0 | 145.7 | 0 | -134 | 134.2 | 177.2 | 0 | 0 | 107 | |||||
| 2 | L | 29.8 | Very low | 39.3 | Very low | 173 Ų | 173 | 145.2 Ų | 145.2 | 91% | 0.906 | 83% | 0.825 | S | S | * | * | trans | -49.4 | 162.8 | -157.9 | -78 | 155.2 | 0 | 0 | 0 | 118.2 | ||||
| 3 | P | 50.8 | Low | 39.1 | Very low | 117 Ų | 117 | 146.8 Ų | 146.8 | 76% | 0.76 | 83% | 0.83 | S | S | * | * | trans | -99.5 | 178.4 | -158.1 | 41.8 | -36.1 | 0 | 0 | 0 | 113.8 | ||||
| 4 | A | 35.5 | Very low | 39.4 | Very low | 92 Ų | 92 | 144.6 Ų | 144.6 | 76% | 0.76 | 83% | 0.825 | S | S | * | * | trans | -157.7 | 103.8 | 151.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 5 | V | 39.1 | Very low | 39.9 | Very low | 146 Ų | 146 | 140.1 Ų | 140.1 | 89% | 0.885 | 81% | 0.812 | S | S | * | * | 72.6 | 126 | 92.9 | 111.2 | 0 | 0 | 0 | 0 | 113 | |||||
| 6 | G | 33.7 | Very low | 40.8 | Very low | 68 Ų | 68 | 143.9 Ų | 143.9 | 70% | 0.701 | 82% | 0.82 | S | S | * | * | trans | 166.2 | 60.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | V8 | G6-V8 PolarHBondContact O-N 2.78Š| ||
| 7 | S | 38 | Very low | 41.2 | Very low | 81 Ų | 81 | 145.7 Ų | 145.7 | 57% | 0.566 | 82% | 0.82 | S | S | * | * | trans | -56.6 | 122.4 | 162.2 | 41.5 | 0 | 0 | 0 | 0 | 107.3 | D9 | S7-D9 WeakPolarHBondContact CB-OD2 3.36Å; S7-D9 PolarHBondContact O-N 3.45Å; S7-D9 VanDerWaalsContact O-N 3.16Å; S7-D9 PolarHBondContact OG-OD2 2.77Å | ||
| 8 | V | 38.3 | Very low | 41.8 | Very low | 146 Ų | 146 | 146.4 Ų | 146.4 | 89% | 0.885 | 82% | 0.821 | S | S | * | * | trans | -80.2 | 88.8 | 158.3 | -175.7 | 0 | 0 | 0 | 0 | 103.4 | G6 E10 | G6-V8 PolarHBondContact O-N 2.78Å; V8-E10 PolarHBondContact O-N 2.87Å | ||
| 9 | D | 36.8 | Very low | 42.1 | Very low | 118 Ų | 118 | 144.8 Ų | 144.8 | 63% | 0.631 | 82% | 0.819 | S | S | * | * | trans | -67.6 | 124.7 | 170.9 | -69.9 | -57.6 | 0 | 0 | 0 | 107.4 | S7 E11 | S7-D9 WeakPolarHBondContact CB-OD2 3.36Å; S7-D9 PolarHBondContact O-N 3.45Å; S7-D9 VanDerWaalsContact O-N 3.16Å; S7-D9 PolarHBondContact OG-OD2 2.77Å; D9-E11 PolarHBondContact O-N 2.96Å | ||
| 10 | E | 47.9 | Very low | 43.1 | Very low | 192 Ų | 192 | 143.5 Ų | 143.5 | 90% | 0.897 | 82% | 0.816 | S | S | * | * | trans | -62.4 | 98.2 | 167.9 | -66.5 | 176.1 | 154.6 | 0 | 0 | 107.4 | V8 | V8-E10 PolarHBondContact O-N 2.87Š| ||
| 11 | E | 43.3 | Very low | 44 | Very low | 184 Ų | 184 | 145.4 Ų | 145.4 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | trans | -90 | 98.7 | 163.7 | -72.2 | -166.1 | 165.6 | 0 | 0 | 108 | D9 D13 | D9-E11 PolarHBondContact O-N 2.96Å; E11-D13 PolarHBondContact O-N 3.21Å | ||
| 12 | E | 43 | Very low | 45 | Very low | 177 Ų | 177 | 141.4 Ų | 141.4 | 83% | 0.827 | 80% | 0.801 | S | S | * | * | trans | -58.9 | 114.9 | 160.9 | -66.8 | -178.9 | 148.6 | 0 | 0 | 108.4 | P14 | E12-P14 WeakPolarHBondContact O-CD 3.15Š| ||
| 13 | D | 37.1 | Very low | 46.6 | Very low | 167 Ų | 167 | 139.3 Ų | 139.3 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | trans | -68.8 | 111.2 | 171.1 | -115.2 | -34.9 | 0 | 0 | 0 | 108.9 | E11 | E11-D13 PolarHBondContact O-N 3.21Š| ||
| 14 | P | 42.4 | Very low | 46.5 | Very low | 116 Ų | 116 | 138.9 Ų | 138.9 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | -111.5 | 85.9 | -178.1 | 32.5 | -12.9 | 0 | 0 | 0 | 108.8 | E12 | E12-P14 WeakPolarHBondContact O-CD 3.15Š| ||
| 15 | A | 47.5 | Very low | 47.7 | Very low | 77 Ų | 77 | 142 Ų | 142 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | trans | 163.4 | 73.3 | 154.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | E17 | A15-E17 HydrophobicContact CB-CG 4.32Å; A15-E17 PolarHBondContact O-N 3.06Å; A15-E17 VanDerWaalsContact O-N 3.11Å | ||
| 16 | E | 53.8 | Low | 48.1 | Very low | 200 Ų | 200 | 143 Ų | 143 | 94% | 0.935 | 79% | 0.79 | S | S | * | * | trans | -73.7 | 83.7 | 139.4 | -67.6 | -150.5 | 164.9 | 0 | 0 | 106 | D18 | E16-D18 PolarHBondContact O-N 2.98Š| ||
| 17 | E | 47.5 | Very low | 48.4 | Very low | 175 Ų | 175 | 145.7 Ų | 145.7 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -62.9 | 103.4 | 164.4 | -84.4 | -175.8 | 154.9 | 0 | 0 | 106.8 | A15 C19 | A15-E17 HydrophobicContact CB-CG 4.32Å; A15-E17 PolarHBondContact O-N 3.06Å; A15-E17 VanDerWaalsContact O-N 3.11Å; E17-C19 PolarHBondContact O-N 2.99Å | ||
| 18 | D | 51.9 | Low | 48.5 | Very low | 158 Ų | 158 | 147.3 Ų | 147.3 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | -39.7 | 109 | 170.1 | -105.1 | -37 | 0 | 0 | 0 | 109.6 | E16 P20 | E16-D18 PolarHBondContact O-N 2.98Å; D18-P20 VanDerWaalsContact O-CD 3.25Å; D18-P20 WeakPolarHBondContact O-CD 3.25Å; D18-P20 VanDerWaalsContact O-N 3.12Å | ||
| 19 | C | 47.3 | Very low | 49.1 | Very low | 116 Ų | 116 | 149.4 Ų | 149.4 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 117.1 | 161.8 | -75.6 | 0 | 0 | 0 | 0 | 106.4 | E17 E21 | E17-C19 PolarHBondContact O-N 2.99Å; C19-E21 PolarHBondContact O-N 3.31Å |
| 20 | P | 62.7 | Low | 49.3 | Very low | 118 Ų | 118 | 147.2 Ų | 147.2 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 121.9 | 178.2 | 22.8 | -31.3 | 0 | 0 | 0 | 108.7 | D18 L22 | D18-P20 VanDerWaalsContact O-CD 3.25Å; D18-P20 WeakPolarHBondContact O-CD 3.25Å; D18-P20 VanDerWaalsContact O-N 3.12Å; P20-L22 PolarHBondContact O-N 3.25Å |
| 21 | E | 62.6 | Low | 49 | Very low | 185 Ų | 185 | 146.9 Ų | 146.9 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 126.8 | 176.9 | -163.8 | 171.7 | -168.2 | 0 | 0 | 108.4 | C19 V23 | C19-E21 PolarHBondContact O-N 3.31Å; E21-V23 PolarHBondContact O-N 3.34Å |
| 22 | L | 55.8 | Low | 48.9 | Very low | 163 Ų | 163 | 147.7 Ų | 147.7 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | -61.1 | 111.7 | 179.6 | -67.4 | 175.4 | 0 | 0 | 0 | 108.4 | P20 P24 | P20-L22 PolarHBondContact O-N 3.25Å; L22-P24 WeakPolarHBondContact O-CD 3.48Å | ||
| 23 | V | 64.2 | Low | 49 | Very low | 129 Ų | 129 | 148.2 Ų | 148.2 | 78% | 0.782 | 80% | 0.798 | S | S | * | * | trans | -64.1 | 121 | 173.7 | -166.5 | 0 | 0 | 0 | 0 | 107.3 | E21 I25 | E21-V23 PolarHBondContact O-N 3.34Å; V23-I25 PolarHBondContact O-N 3.03Å | ||
| 24 | P | 49 | Very low | 49.3 | Very low | 108 Ų | 108 | 149.7 Ų | 149.7 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | trans | -62.3 | 125.5 | 172.5 | 24.5 | -30 | 0 | 0 | 0 | 107.7 | L22 E26 | L22-P24 WeakPolarHBondContact O-CD 3.48Å; P24-E26 PolarHBondContact O-N 2.98Å | ||
| 25 | I | 60.1 | Low | 49.1 | Very low | 157 Ų | 157 | 153.8 Ų | 153.8 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | trans | -65.3 | 106.8 | 167.8 | -57.4 | 167 | 0 | 0 | 0 | 104.9 | V23 T27 | V23-I25 PolarHBondContact O-N 3.03Å; I25-T27 PolarHBondContact O-N 3.11Å | ||
| 26 | E | 46.4 | Very low | 49 | Very low | 169 Ų | 169 | 153 Ų | 153 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | -56.6 | 110.7 | 167 | -69.9 | -174.6 | 163.4 | 0 | 0 | 106.3 | P24 T28 | P24-E26 PolarHBondContact O-N 2.98Å; E26-T28 PolarHBondContact O-N 2.98Å; E26-T28 PolarHBondContact O-OG1 3.43Å | ||
| 27 | T | 41.4 | Very low | 48.7 | Very low | 124 Ų | 124 | 147 Ų | 147 | 76% | 0.761 | 79% | 0.788 | S | S | * | * | trans | -66.1 | 82.5 | 167.6 | 18 | 0 | 0 | 0 | 0 | 107 | I25 Q29 | I25-T27 PolarHBondContact O-N 3.11Å; T27-Q29 PolarHBondContact O-N 3.41Å | ||
| 28 | T | 39.3 | Very low | 48.7 | Very low | 115 Ų | 115 | 147.7 Ų | 147.7 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | trans | -59.9 | 86.2 | 152.2 | 4.1 | 0 | 0 | 0 | 0 | 106.2 | E26 S30 | E26-T28 PolarHBondContact O-N 2.98Å; E26-T28 PolarHBondContact O-OG1 3.43Å; T28-S30 PolarHBondContact O-N 3.44Å | ||
| 29 | Q | 51.4 | Low | 48.8 | Very low | 190 Ų | 190 | 143.1 Ų | 143.1 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | trans | -62.7 | 82.5 | 156.6 | -70.3 | -179.9 | -20 | 0 | 0 | 106.5 | T27 | T27-Q29 PolarHBondContact O-N 3.41Š| ||
| 30 | S | 40 | Very low | 50.2 | Low | 72 Ų | 72 | 140.1 Ų | 140.1 | 50% | 0.503 | 77% | 0.77 | S | S | . | * | trans | -158.6 | 101.1 | 169.3 | 51.2 | 0 | 0 | 0 | 0 | 108.4 | T28 | T28-S30 PolarHBondContact O-N 3.44Š| ||
| 31 | E | 42.8 | Very low | 51.4 | Low | 185 Ų | 185 | 138.8 Ų | 138.8 | 86% | 0.864 | 75% | 0.752 | S | S | * | * | S | Bend | trans | 79.1 | 58.3 | 145.5 | -53.4 | 174.6 | -176.8 | 0 | 0 | 117.9 | ||
| 32 | E | 41.2 | Very low | 52.7 | Low | 200 Ų | 200 | 130.6 Ų | 130.6 | 94% | 0.935 | 71% | 0.714 | S | S | * | * | trans | -129.2 | 17.6 | 150.3 | -69.7 | -168.6 | 173.1 | 0 | 0 | 113 | ||||
| 33 | E | 44 | Very low | 54.5 | Low | 188 Ų | 188 | 123.5 Ų | 123.5 | 88% | 0.879 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -88.4 | 121.8 | 157.7 | -70.2 | -176.5 | 163.1 | 0 | 0 | 107.1 | ||
| 34 | E | 43.1 | Very low | 55.9 | Low | 198 Ų | 198 | 117.3 Ų | 117.3 | 93% | 0.925 | 64% | 0.64 | S | S | * | * | trans | 96.3 | 61.1 | -175.9 | -54 | -148 | 157.4 | 0 | 0 | 118.7 | ||||
| 35 | K | 39.8 | Very low | 58 | Low | 202 Ų | 202 | 113 Ų | 113 | 88% | 0.878 | 61% | 0.612 | S | S | * | * | trans | -144.1 | 122.1 | 136.6 | -109.2 | -178.2 | 178.1 | 175.8 | 0 | 106.7 | ||||
| 36 | S | 43.7 | Very low | 59.5 | Low | 61 Ų | 61 | 105.5 Ų | 105.5 | 43% | 0.427 | 57% | 0.573 | S | S | . | * | cis | -170.1 | 129.1 | 12.6 | 50.4 | 0 | 0 | 0 | 0 | 108.8 | A40 | S36-A40 WeakPolarHBondContact OG-CB 3.44Å; S36-A40 PolarHBondContact OG-N 2.71Å | ||
| 37 | G | 47.8 | Very low | 61.7 | Low | 75 Ų | 75 | 97.6 Ų | 97.6 | 77% | 0.773 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -62.9 | 139.6 | 150.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 38 | L | 47.9 | Very low | 64.1 | Low | 188 Ų | 188 | 91.7 Ų | 91.7 | 98% | 0.984 | 50% | 0.5 | S | S | * | . | S | Bend | trans | 46.6 | 77.1 | 171.4 | -92.3 | 67.6 | 0 | 0 | 0 | 114.9 | ||
| 39 | G | 55.1 | Low | 66.5 | Low | 62 Ų | 62 | 86.2 Ų | 86.2 | 64% | 0.639 | 47% | 0.466 | S | S | * | . | trans | 153.4 | -7.1 | 169 | 0 | 0 | 0 | 0 | 0 | 116.6 | K41 | G39-K41 PolarHBondContact O-N 3.36Š| ||
| 40 | A | 76.6 | Confident | 68.2 | Low | 53 Ų | 53 | 82.2 Ų | 82.2 | 44% | 0.438 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -67 | 128 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | S36 | S36-A40 WeakPolarHBondContact OG-CB 3.44Å; S36-A40 PolarHBondContact OG-N 2.71Å |
| 41 | K | 87 | Confident | 70.3 | Confident | 91 Ų | 91 | 85.4 Ų | 85.4 | 40% | 0.396 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 145.6 | 166.6 | -62.6 | -172.7 | 173.2 | -152 | 0 | 109.4 | G39 S158 D159 Y161 | G39-K41 PolarHBondContact O-N 3.36Å; K41-S158 VanDerWaalsContact CE-O 3.23Å; K41-S158 WeakPolarHBondContact CE-O 3.06Å; K41-S158 PolarHBondContact NZ-O 2.98Å; K41-S158 VanDerWaalsContact NZ-O 3.15Å; K41-D159 CarbonylContact C-O 3.57Å; K41-D159 VanDerWaalsContact CA-O 3.25Å; K41-D159 WeakPolarHBondContact CA-O 3.48Å; K41-Y161 HydrophobicContact CB-CD1 3.6Å; K41-Y161 HydrophobicContact CB-CE1 4.18Å |
| 42 | I | 91.1 | Very high | 72.2 | Confident | 12 Ų | 12 | 79.6 Ų | 79.6 | 6% | 0.062 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 125 | 177.7 | -52.4 | -178.5 | 0 | 0 | 0 | 109.2 | M124 K127 F130 I133 D159 I160 Y161 | I42-M124 HydrophobicContact CD1-CE 3.81Å; I42-M124 HydrophobicContact CD1-SD 3.85Å; I42-M124 HydrophobicContact CG1-CE 4.45Å; I42-K127 HydrophobicContact CD1-CG 4.19Å; I42-F130 HydrophobicContact CD1-CD2 4.1Å; I42-F130 HydrophobicContact CD1-CE2 3.35Å; I42-F130 HydrophobicContact CD1-CZ 3.81Å; I42-F130 HydrophobicContact CG2-CD2 4.18Å; I42-F130 HydrophobicContact CG2-CE2 3.97Å; I42-I133 HydrophobicContact CG2-CD1 4.21Å; I42-I133 HydrophobicContact CG2-CG1 3.91Å; I42-D159 PolarHBondContact N-O 3.46Å; I42-I160 HydrophobicContact CB-CG2 4.22Å; I42-I160 CarbonylContact O-C 3.55Å; I42-I160 WeakPolarHBondContact O-CA 3.41Å; I42-Y161 PolarHBondContact O-N 2.89Å |
| 43 | P | 93.4 | Very high | 74.5 | Confident | 14 Ų | 14 | 70.8 Ų | 70.8 | 9% | 0.091 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 138.3 | 175 | 27.5 | -34.2 | 0 | 0 | 0 | 111 | D131 D132 I133 Y161 D163 | P43-D131 WeakPolarHBondContact CD-O 3.34Å; P43-D132 HydrophobicContact CG-CB 4.41Å; P43-D132 WeakPolarHBondContact CG-OD1 3.46Å; P43-I133 PolarHBondContact O-N 2.88Å; P43-Y161 CarbonylContact C-O 3.57Å; P43-Y161 HydrophobicContact CB-CE1 3.82Å; P43-Y161 HydrophobicContact CB-CE2 4.35Å; P43-D163 HydrophobicContact CB-CB 3.69Å |
| 44 | V | 92.1 | Very high | 76.7 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 119.4 | 170.3 | -175 | 0 | 0 | 0 | 0 | 108 | I120 I133 L135 F150 I160 Y161 D163 | V44-I120 HydrophobicContact CG1-CD1 4.44Å; V44-I133 WeakPolarHBondContact CA-O 3.09Å; V44-I133 HydrophobicContact CB-CB 4.49Å; V44-I133 HydrophobicContact CG1-CB 4.41Å; V44-I133 HydrophobicContact CG1-CG2 4.16Å; V44-I133 HydrophobicContact CG2-CB 4.1Å; V44-I133 HydrophobicContact CG2-CD1 4.18Å; V44-I133 HydrophobicContact CG2-CG2 4.44Å; V44-L135 HydrophobicContact CG1-CB 4.48Å; V44-F150 HydrophobicContact CB-CE1 4.1Å; V44-F150 HydrophobicContact CB-CZ 4.37Å; V44-F150 HydrophobicContact CG1-CE1 3.89Å; V44-F150 HydrophobicContact CG1-CE2 4.43Å; V44-F150 HydrophobicContact CG1-CZ 3.69Å; V44-F150 HydrophobicContact CG2-CD1 4.45Å; V44-F150 HydrophobicContact CG2-CE1 3.88Å; V44-I160 HydrophobicContact CG2-CB 4.06Å; V44-I160 HydrophobicContact CG2-CD1 4.25Å; V44-Y161 PolarHBondContact N-O 3.46Å; V44-D163 PolarHBondContact O-N 3.19Å |
| 45 | T | 93.8 | Very high | 79 | Confident | 17 Ų | 17 | 54.4 Ų | 54.4 | 10% | 0.104 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 129.6 | 171.5 | -66.5 | 0 | 0 | 0 | 0 | 109.5 | I133 L134 L135 D163 G164 I166 | T45-I133 PolarHBondContact N-O 2.96Å; T45-L134 HydrophobicContact CG2-CD1 3.75Å; T45-L134 WeakPolarHBondContact O-CA 3.19Å; T45-L135 PolarHBondContact O-N 3.46Å; T45-D163 PolarHBondContact OG1-OD2 3.4Å; T45-G164 WeakPolarHBondContact CA-O 3.47Å; T45-I166 HydrophobicContact CG2-CD1 3.61Å; T45-I166 HydrophobicContact CG2-CG1 3.82Å |
| 46 | I | 92.3 | Very high | 81.2 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 126.9 | 173.4 | -64.3 | 172.9 | 0 | 0 | 0 | 108.4 | L135 T137 P143 V146 A147 F150 L162 G164 I165 I166 | I46-L135 CarbonylContact C-O 3.58Å; I46-L135 WeakPolarHBondContact CA-O 3.23Å; I46-T137 HydrophobicContact CG2-CG2 3.67Å; I46-P143 HydrophobicContact CG2-CB 4.47Å; I46-V146 HydrophobicContact CD1-CB 4.23Å; I46-V146 HydrophobicContact CD1-CG1 3.8Å; I46-V146 HydrophobicContact CG1-CG1 4.47Å; I46-A147 HydrophobicContact CD1-CB 4.19Å; I46-F150 HydrophobicContact CD1-CE2 4.24Å; I46-L162 HydrophobicContact CD1-CD1 3.66Å; I46-L162 HydrophobicContact CG1-CD1 3.86Å; I46-G164 PolarHBondContact N-O 2.87Å; I46-I165 HydrophobicContact CB-CG1 4.19Å; I46-I165 HydrophobicContact CB-CG2 4.39Å; I46-I165 HydrophobicContact CD1-CG1 4.25Å; I46-I165 HydrophobicContact CG2-CG2 4.29Å; I46-I165 CarbonylContact O-C 3.54Å; I46-I165 WeakPolarHBondContact O-CA 3.27Å; I46-I166 PolarHBondContact O-N 3.02Å |
| 47 | I | 93.1 | Very high | 83.4 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 124.3 | 167.3 | -65.1 | -174.7 | 0 | 0 | 0 | 108.9 | K55 L58 L59 L134 L135 T137 I166 I168 | I47-K55 HydrophobicContact CG2-CB 4.43Å; I47-K55 HydrophobicContact CG2-CD 4.17Å; I47-K55 HydrophobicContact CG2-CG 4.11Å; I47-L58 HydrophobicContact CD1-CD2 3.97Å; I47-L59 HydrophobicContact CD1-CD2 3.88Å; I47-L134 HydrophobicContact CD1-CD1 3.58Å; I47-L134 HydrophobicContact CD1-CD2 3.54Å; I47-L134 HydrophobicContact CD1-CG 3.64Å; I47-L134 HydrophobicContact CG1-CD1 3.66Å; I47-L134 HydrophobicContact CG1-CD2 4.45Å; I47-L134 HydrophobicContact CG1-CG 4.01Å; I47-L135 PolarHBondContact N-O 3.45Å; I47-T137 PolarHBondContact O-N 3.37Å; I47-T137 PolarHBondContact O-OG1 3.43Å; I47-I166 WeakPolarHBondContact CA-O 3.49Å; I47-I166 HydrophobicContact CG1-CB 4.47Å; I47-I168 HydrophobicContact CG2-CD1 3.92Å; I47-I168 HydrophobicContact CG2-CG1 4.23Å |
| 48 | T | 90.9 | Very high | 85.6 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 171 | 173.4 | -165.9 | 0 | 0 | 0 | 0 | 110.6 | T137 P143 I165 I166 T167 I168 W180 | T48-T137 WeakPolarHBondContact CA-OG1 3.35Å; T48-T137 WeakPolarHBondContact CB-OG1 3.47Å; T48-T137 PolarHBondContact OG1-OG1 3.46Å; T48-P143 HydrophobicContact CG2-CB 4.22Å; T48-P143 HydrophobicContact CG2-CG 4.23Å; T48-I165 HydrophobicContact CG2-CG2 4.03Å; T48-I166 PolarHBondContact N-O 3.44Å; T48-T167 HydrophobicContact CG2-CG2 4.27Å; T48-T167 WeakPolarHBondContact CG2-OG1 3.43Å; T48-I168 PolarHBondContact O-N 3.03Å; T48-W180 HydrophobicContact CG2-CZ2 4.31Å |
| 49 | G | 89 | Confident | 87.6 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 157 | 143.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | K55 G139 I168 W180 | G49-K55 PolarHBondContact O-NZ 3.04Å; G49-G139 WeakPolarHBondContact O-CA 3.18Å; G49-I168 VanDerWaalsContact CA-O 3.26Å; G49-I168 WeakPolarHBondContact CA-O 3.45Å; G49-W180 VanDerWaalsContact CA-CH2 3.44Å |
| 50 | Y | 87.2 | Confident | 89.3 | Confident | 106 Ų | 106 | 40.8 Ų | 40.8 | 42% | 0.416 | 25% | 0.245 | S | C | . | . | trans | -57.2 | 161.6 | 175.1 | -166.4 | -114.7 | 0 | 0 | 0 | 112.3 | G52 A53 K55 L140 A177 W180 | Y50-G52 PolarHBondContact O-N 3.16Å; Y50-A53 VanDerWaalsContact O-CB 3.25Å; Y50-A53 WeakPolarHBondContact O-CB 3.25Å; Y50-A53 PolarHBondContact O-N 3.05Å; Y50-A53 VanDerWaalsContact O-N 3.09Å; Y50-K55 PolarHBondContact O-NZ 2.82Å; Y50-L140 HydrophobicContact CE2-CD2 4.27Å; Y50-A177 HydrophobicContact CD1-CB 4.26Å; Y50-A177 HydrophobicContact CD2-CB 4.36Å; Y50-A177 HydrophobicContact CG-CB 4.11Å; Y50-W180 HydrophobicContact CD2-CB 3.98Å; Y50-W180 AromaticContact CD2-CG 3.99Å; Y50-W180 HydrophobicContact CD2-CG 3.99Å | ||
| 51 | L | 84.1 | Confident | 90 | Very high | 139 Ų | 139 | 44.9 Ų | 44.9 | 73% | 0.728 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | 129.6 | 176.4 | -173.9 | 64.7 | 0 | 0 | 0 | 109.9 | ||
| 52 | G | 84.3 | Confident | 90.3 | Very high | 63 Ų | 63 | 42 Ų | 42 | 65% | 0.649 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.4 | 0.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y50 G54 | Y50-G52 PolarHBondContact O-N 3.16Å; G52-G54 PolarHBondContact O-N 3.46Å; G52-G54 VanDerWaalsContact O-N 3.08Å |
| 53 | A | 88.8 | Confident | 90.2 | Very high | 16 Ų | 16 | 41.5 Ų | 41.5 | 13% | 0.132 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -66.9 | -8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y50 I168 | Y50-A53 VanDerWaalsContact O-CB 3.25Å; Y50-A53 WeakPolarHBondContact O-CB 3.25Å; Y50-A53 PolarHBondContact O-N 3.05Å; Y50-A53 VanDerWaalsContact O-N 3.09Å; A53-I168 HydrophobicContact CB-CB 4.36Å; A53-I168 HydrophobicContact CB-CG2 4.21Å; A53-I168 VanDerWaalsContact CB-O 3.31Å; A53-I168 WeakPolarHBondContact CB-O 3.08Å; A53-I168 WeakPolarHBondContact O-CG2 3.32Å |
| 54 | G | 89.8 | Confident | 90 | Very high | 30 Ų | 30 | 43.8 Ų | 43.8 | 31% | 0.309 | 25% | 0.25 | S | C | . | . | S | Bend | trans | 97.6 | 11.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | G52 T56 T57 L58 | G52-G54 PolarHBondContact O-N 3.46Å; G52-G54 VanDerWaalsContact O-N 3.08Å; G54-T56 PolarHBondContact O-N 3.22Å; G54-T57 WeakPolarHBondContact O-CB 3.48Å; G54-T57 PolarHBondContact O-N 3.15Å; G54-L58 PolarHBondContact O-N 2.84Å; G54-L58 VanDerWaalsContact O-N 3.1Å |
| 55 | K | 90.9 | Very high | 89.9 | Confident | 11 Ų | 11 | 48.3 Ų | 48.3 | 5% | 0.048 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -48.3 | -53.4 | 174.9 | -62.1 | -171.5 | -58.7 | -66.1 | 0 | 112.9 | I47 G49 Y50 T57 L58 L59 E136 I168 | I47-K55 HydrophobicContact CG2-CB 4.43Å; I47-K55 HydrophobicContact CG2-CD 4.17Å; I47-K55 HydrophobicContact CG2-CG 4.11Å; G49-K55 PolarHBondContact O-NZ 3.04Å; Y50-K55 PolarHBondContact O-NZ 2.82Å; K55-T57 PolarHBondContact O-N 3.12Å; K55-L58 WeakPolarHBondContact O-CB 3.3Å; K55-L58 PolarHBondContact O-N 2.9Å; K55-L58 VanDerWaalsContact O-N 3.11Å; K55-L59 WeakPolarHBondContact O-CG 3.27Å; K55-L59 PolarHBondContact O-N 3.47Å; K55-E136 HydrophobicContact CD-CG 4.46Å; K55-E136 VanDerWaalsContact CE-OE1 3.28Å; K55-E136 WeakPolarHBondContact CE-OE1 3.37Å; K55-I168 HydrophobicContact CB-CD1 4.27Å; K55-I168 HydrophobicContact CG-CB 4.41Å; K55-I168 HydrophobicContact CG-CD1 3.92Å; K55-I168 HydrophobicContact CG-CG1 4.4Å |
| 56 | T | 87.6 | Confident | 89.7 | Confident | 74 Ų | 74 | 56 Ų | 56 | 45% | 0.454 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.8 | -34.1 | -179.4 | -45.5 | 0 | 0 | 0 | 0 | 112.4 | G54 L59 N60 L84 | G54-T56 PolarHBondContact O-N 3.22Å; T56-L59 PolarHBondContact O-N 3.41Å; T56-N60 VanDerWaalsContact O-CB 3.31Å; T56-N60 WeakPolarHBondContact O-CB 3.49Å; T56-N60 PolarHBondContact O-N 2.85Å; T56-L84 HydrophobicContact CG2-CB 4.06Å; T56-L84 HydrophobicContact CG2-CD1 4.48Å; T56-L84 HydrophobicContact CG2-CD2 4.17Å; T56-L84 HydrophobicContact CG2-CG 4.48Å |
| 57 | T | 90.1 | Very high | 89.6 | Confident | 108 Ų | 108 | 58.6 Ų | 58.6 | 66% | 0.663 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -66.2 | -44.1 | 175.9 | -55.2 | 0 | 0 | 0 | 0 | 111.2 | G54 K55 N60 Y61 | G54-T57 WeakPolarHBondContact O-CB 3.48Å; G54-T57 PolarHBondContact O-N 3.15Å; K55-T57 PolarHBondContact O-N 3.12Å; T57-N60 PolarHBondContact O-N 2.8Å; T57-Y61 PolarHBondContact O-N 3.49Å; T57-Y61 VanDerWaalsContact O-N 3.07Å |
| 58 | L | 92 | Very high | 89.3 | Confident | 64 Ų | 64 | 64.9 Ų | 64.9 | 34% | 0.335 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.8 | -46.1 | 174.9 | 177.3 | 61.2 | 0 | 0 | 0 | 111.5 | I47 G54 K55 N60 Y61 I62 I168 | I47-L58 HydrophobicContact CD1-CD2 3.97Å; G54-L58 PolarHBondContact O-N 2.84Å; G54-L58 VanDerWaalsContact O-N 3.1Å; K55-L58 WeakPolarHBondContact O-CB 3.3Å; K55-L58 PolarHBondContact O-N 2.9Å; K55-L58 VanDerWaalsContact O-N 3.11Å; L58-N60 VanDerWaalsContact C-N 3.34Å; L58-N60 PolarHBondContact O-N 3.48Å; L58-Y61 WeakPolarHBondContact O-CB 3.36Å; L58-Y61 PolarHBondContact O-N 2.81Å; L58-I62 HydrophobicContact CD1-CD1 4.2Å; L58-I62 HydrophobicContact CG-CD1 4.08Å; L58-I62 WeakPolarHBondContact O-CG1 3.45Å; L58-I62 PolarHBondContact O-N 3.1Å; L58-I168 HydrophobicContact CB-CD1 4.16Å; L58-I168 HydrophobicContact CD2-CD1 3.57Å; L58-I168 HydrophobicContact CD2-CG1 4.49Å |
| 59 | L | 91.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.3 | -40.9 | 179.1 | -67 | 174.3 | 0 | 0 | 0 | 111.8 | I47 K55 T56 Y61 I62 L63 V73 L75 L84 L134 E136 | I47-L59 HydrophobicContact CD1-CD2 3.88Å; K55-L59 WeakPolarHBondContact O-CG 3.27Å; K55-L59 PolarHBondContact O-N 3.47Å; T56-L59 PolarHBondContact O-N 3.41Å; L59-Y61 VanDerWaalsContact C-N 3.33Å; L59-Y61 PolarHBondContact O-N 3.15Å; L59-I62 PolarHBondContact O-N 3.42Å; L59-L63 WeakPolarHBondContact O-CB 3.43Å; L59-L63 VanDerWaalsContact O-CG 3.27Å; L59-L63 WeakPolarHBondContact O-CG 3.47Å; L59-L63 PolarHBondContact O-N 2.88Å; L59-V73 HydrophobicContact CD2-CG1 3.87Å; L59-L75 HydrophobicContact CD1-CD2 3.57Å; L59-L84 HydrophobicContact CB-CD2 3.73Å; L59-L134 HydrophobicContact CD2-CD2 3.42Å; L59-L134 VanDerWaalsContact CD2-CD2 3.42Å; L59-L134 HydrophobicContact CD2-CG 4.15Å; L59-E136 HydrophobicContact CD1-CB 3.88Å; L59-E136 HydrophobicContact CD1-CG 3.82Å |
| 60 | N | 89.7 | Confident | 89.4 | Confident | 57 Ų | 57 | 74.9 Ų | 74.9 | 31% | 0.305 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.3 | -45.2 | 174.7 | -174.5 | 78.4 | 0 | 0 | 0 | 111.3 | T56 T57 L58 I62 L63 T64 L84 | T56-N60 VanDerWaalsContact O-CB 3.31Å; T56-N60 WeakPolarHBondContact O-CB 3.49Å; T56-N60 PolarHBondContact O-N 2.85Å; T57-N60 PolarHBondContact O-N 2.8Å; L58-N60 VanDerWaalsContact C-N 3.34Å; L58-N60 PolarHBondContact O-N 3.48Å; N60-I62 VanDerWaalsContact C-N 3.33Å; N60-I62 PolarHBondContact O-N 3.1Å; N60-L63 PolarHBondContact O-N 2.82Å; N60-L63 VanDerWaalsContact O-N 3.16Å; N60-T64 WeakPolarHBondContact O-CG2 3.38Å; N60-T64 PolarHBondContact O-N 3.49Å; N60-T64 PolarHBondContact O-OG1 2.88Å; N60-L84 HydrophobicContact CB-CD1 3.74Å; N60-L84 WeakPolarHBondContact OD1-CD1 3.41Å |
| 61 | Y | 92.1 | Very high | 89.7 | Confident | 139 Ų | 139 | 70.4 Ų | 70.4 | 55% | 0.545 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -56.7 | -47.2 | 176.6 | 177.3 | -90.7 | 0 | 0 | 0 | 111.7 | T57 L58 L59 L63 T64 E65 | T57-Y61 PolarHBondContact O-N 3.49Å; T57-Y61 VanDerWaalsContact O-N 3.07Å; L58-Y61 WeakPolarHBondContact O-CB 3.36Å; L58-Y61 PolarHBondContact O-N 2.81Å; L59-Y61 VanDerWaalsContact C-N 3.33Å; L59-Y61 PolarHBondContact O-N 3.15Å; Y61-L63 VanDerWaalsContact C-N 3.34Å; Y61-L63 PolarHBondContact O-N 3.34Å; Y61-T64 PolarHBondContact O-N 3.1Å; Y61-E65 HydrophobicContact CD2-CB 4.4Å; Y61-E65 HydrophobicContact CD2-CG 3.56Å; Y61-E65 HydrophobicContact CE2-CB 4.2Å; Y61-E65 HydrophobicContact CE2-CG 3.54Å; Y61-E65 HydrophobicContact CG-CG 4.15Å; Y61-E65 VanDerWaalsContact O-CB 3.25Å; Y61-E65 WeakPolarHBondContact O-CB 3.46Å; Y61-E65 WeakPolarHBondContact O-CG 3.45Å; Y61-E65 PolarHBondContact O-N 3.09Å |
| 62 | I | 92.4 | Very high | 90.2 | Very high | 30 Ų | 30 | 63.8 Ų | 63.8 | 15% | 0.154 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.3 | -43.2 | 176.5 | -65.8 | 167.2 | 0 | 0 | 0 | 110.8 | L58 L59 N60 T64 H67 V71 V73 N105 L134 | L58-I62 HydrophobicContact CD1-CD1 4.2Å; L58-I62 HydrophobicContact CG-CD1 4.08Å; L58-I62 WeakPolarHBondContact O-CG1 3.45Å; L58-I62 PolarHBondContact O-N 3.1Å; L59-I62 PolarHBondContact O-N 3.42Å; N60-I62 VanDerWaalsContact C-N 3.33Å; N60-I62 PolarHBondContact O-N 3.1Å; I62-T64 PolarHBondContact O-N 3.14Å; I62-H67 PolarHBondContact O-NE2 3.4Å; I62-V71 HydrophobicContact CG2-CB 4.14Å; I62-V71 HydrophobicContact CG2-CG1 4.24Å; I62-V71 HydrophobicContact CG2-CG2 4.25Å; I62-V73 HydrophobicContact CG2-CG2 4.47Å; I62-N105 PolarHBondContact O-ND2 2.83Å; I62-N105 VanDerWaalsContact O-ND2 3.1Å; I62-L134 HydrophobicContact CD1-CD2 3.55Å |
| 63 | L | 90.2 | Very high | 90.5 | Very high | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -74.9 | -23.2 | -176.4 | -71.1 | 177.2 | 0 | 0 | 0 | 113.7 | L59 N60 Y61 V73 L84 L88 L103 N105 C107 C109 | L59-L63 WeakPolarHBondContact O-CB 3.43Å; L59-L63 VanDerWaalsContact O-CG 3.27Å; L59-L63 WeakPolarHBondContact O-CG 3.47Å; L59-L63 PolarHBondContact O-N 2.88Å; N60-L63 PolarHBondContact O-N 2.82Å; N60-L63 VanDerWaalsContact O-N 3.16Å; Y61-L63 VanDerWaalsContact C-N 3.34Å; Y61-L63 PolarHBondContact O-N 3.34Å; L63-V73 HydrophobicContact CD1-CB 4.27Å; L63-V73 HydrophobicContact CD1-CG1 4.34Å; L63-V73 HydrophobicContact CD1-CG2 4.34Å; L63-V73 HydrophobicContact CD2-CB 3.87Å; L63-V73 HydrophobicContact CD2-CG2 3.41Å; L63-V73 VanDerWaalsContact CD2-CG2 3.41Å; L63-V73 HydrophobicContact CG-CB 4.39Å; L63-V73 HydrophobicContact CG-CG2 3.94Å; L63-L84 HydrophobicContact CD1-CD2 4.04Å; L63-L84 HydrophobicContact CD1-CG 4.43Å; L63-L88 HydrophobicContact CB-CD1 4.02Å; L63-L88 HydrophobicContact CD1-CD1 3.48Å; L63-L88 VanDerWaalsContact CD1-CD1 3.48Å; L63-L88 HydrophobicContact CG-CD1 4.35Å; L63-L103 HydrophobicContact CB-CD1 3.51Å; L63-L103 HydrophobicContact CD2-CD1 3.6Å; L63-L103 HydrophobicContact CG-CD1 4.04Å; L63-L103 WeakPolarHBondContact O-CD1 3.24Å; L63-N105 PolarHBondContact O-ND2 3.34Å; L63-N105 VanDerWaalsContact O-ND2 3.15Å; L63-N105 PolarHBondContact O-OD1 3.08Å; L63-C107 HydrophobicContact CD2-CB 3.84Å; L63-C109 HydrophobicContact CD1-CB 4.02Å; L63-C109 HydrophobicContact CD2-CB 4.09Å |
| 64 | T | 87.5 | Confident | 90.6 | Very high | 62 Ų | 62 | 60 Ų | 60 | 38% | 0.38 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -108.1 | -30 | -175.5 | 62.8 | 0 | 0 | 0 | 0 | 114.9 | N60 Y61 I62 L88 | N60-T64 WeakPolarHBondContact O-CG2 3.38Å; N60-T64 PolarHBondContact O-N 3.49Å; N60-T64 PolarHBondContact O-OG1 2.88Å; Y61-T64 PolarHBondContact O-N 3.1Å; I62-T64 PolarHBondContact O-N 3.14Å; T64-L88 HydrophobicContact CG2-CD2 3.69Å |
| 65 | E | 91.4 | Very high | 90.4 | Very high | 94 Ų | 94 | 58.6 Ų | 58.6 | 44% | 0.439 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -86.1 | 159.1 | -175.1 | -65.5 | -59 | 136.8 | 0 | 0 | 113.1 | Y61 H67 N105 | Y61-E65 HydrophobicContact CD2-CB 4.4Å; Y61-E65 HydrophobicContact CD2-CG 3.56Å; Y61-E65 HydrophobicContact CE2-CB 4.2Å; Y61-E65 HydrophobicContact CE2-CG 3.54Å; Y61-E65 HydrophobicContact CG-CG 4.15Å; Y61-E65 VanDerWaalsContact O-CB 3.25Å; Y61-E65 WeakPolarHBondContact O-CB 3.46Å; Y61-E65 WeakPolarHBondContact O-CG 3.45Å; Y61-E65 PolarHBondContact O-N 3.09Å; E65-H67 PolarHBondContact O-CD2 3.05Å; E65-N105 PolarHBondContact O-ND2 3.4Å |
| 66 | Q | 89.4 | Confident | 89.7 | Confident | 178 Ų | 178 | 59.9 Ų | 59.9 | 83% | 0.832 | 31% | 0.307 | S | S | * | . | trans | -91.1 | 105 | 175.5 | -71.8 | -175.1 | -3.7 | 0 | 0 | 110.4 | ||||
| 67 | H | 88.8 | Confident | 88.7 | Confident | 56 Ų | 56 | 59.3 Ų | 59.3 | 26% | 0.259 | 30% | 0.299 | S | S | . | . | trans | -122.1 | 20.2 | 178.2 | 54.5 | 64.9 | 0 | 0 | 0 | 112.7 | I62 E65 K69 | I62-H67 PolarHBondContact O-NE2 3.4Å; E65-H67 PolarHBondContact O-CD2 3.05Å; H67-K69 PolarHBondContact CE1-O 3.49Å; H67-K69 PolarHBondContact ND1-N 2.96Å; H67-K69 PolarHBondContact ND1-O 3.31Å; H67-K69 PolarHBondContact O-N 3.32Å | ||
| 68 | S | 87.5 | Confident | 86.9 | Confident | 133 Ų | 133 | 59.8 Ų | 59.8 | 93% | 0.93 | 31% | 0.307 | S | S | * | . | S | Bend | trans | 54.4 | 20.1 | 176 | -55.2 | 0 | 0 | 0 | 0 | 115.7 | ||
| 69 | K | 88.8 | Confident | 84.8 | Confident | 114 Ų | 114 | 58 Ų | 58 | 50% | 0.496 | 30% | 0.303 | S | S | . | . | trans | -124.1 | 146.4 | 174.3 | -64.3 | -174.1 | 164.7 | -153.9 | 0 | 109.6 | H67 V71 D132 | H67-K69 PolarHBondContact CE1-O 3.49Å; H67-K69 PolarHBondContact ND1-N 2.96Å; H67-K69 PolarHBondContact ND1-O 3.31Å; H67-K69 PolarHBondContact O-N 3.32Å; K69-V71 HydrophobicContact CB-CG2 4.16Å; K69-D132 IonicContact NZ-OD2 3.6Å | ||
| 70 | R | 92.6 | Very high | 82.7 | Confident | 96 Ų | 96 | 65.6 Ų | 65.6 | 36% | 0.362 | 34% | 0.339 | S | S | . | . | trans | -102.1 | 99 | 174.8 | -60.1 | 172.4 | -62.5 | 160.7 | 3.3 | 108.3 | G106 G128 K129 F130 D131 | R70-G106 WeakPolarHBondContact CB-O 3.37Å; R70-G128 PolarHBondContact NH1-O 3.47Å; R70-G128 PolarHBondContact NH2-O 3.1Å; R70-K129 WeakPolarHBondContact CD-O 3.41Å; R70-K129 PolarHBondContact NH1-O 2.76Å; R70-F130 CarbonylContact O-C 3.59Å; R70-F130 VanDerWaalsContact O-CA 3.3Å; R70-F130 WeakPolarHBondContact O-CA 3.33Å; R70-F130 WeakPolarHBondContact O-CB 3.43Å; R70-D131 WeakPolarHBondContact CB-OD2 3.35Å; R70-D131 IonicContact CZ-OD1 2.71Å; R70-D131 IonicContact CZ-OD2 3.44Å; R70-D131 PolarHBondContact N-OD2 3.34Å; R70-D131 IonicContact NE-OD1 3.61Å; R70-D131 IonicContact NE-OD2 3.63Å; R70-D131 PolarHBondContact NE-OD2 3.29Å; R70-D131 IonicContact NH2-OD1 2.8Å; R70-D131 PolarHBondContact NH2-OD1 3.34Å; R70-D131 IonicContact NH2-OD2 3.75Å; R70-D131 PolarHBondContact NH2-OD2 3.18Å; R70-D131 PolarHBondContact O-N 3.25Å | ||
| 71 | V | 94.4 | Very high | 81.1 | Confident | 12 Ų | 12 | 63.6 Ų | 63.6 | 7% | 0.073 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 133.6 | -174.9 | -175.7 | 0 | 0 | 0 | 0 | 109.4 | I62 K69 V73 C107 L108 D132 L134 | I62-V71 HydrophobicContact CG2-CB 4.14Å; I62-V71 HydrophobicContact CG2-CG1 4.24Å; I62-V71 HydrophobicContact CG2-CG2 4.25Å; K69-V71 HydrophobicContact CB-CG2 4.16Å; V71-V73 HydrophobicContact CG1-CG2 4.02Å; V71-C107 PolarHBondContact N-SG 2.87Å; V71-C107 CarbonylContact O-C 3.56Å; V71-C107 WeakPolarHBondContact O-CA 3.45Å; V71-C107 VanDerWaalsContact O-CB 3.24Å; V71-C107 WeakPolarHBondContact O-CB 3.44Å; V71-L108 PolarHBondContact O-N 2.84Å; V71-D132 HydrophobicContact CG1-CB 4.46Å; V71-D132 HydrophobicContact CG2-CB 4.37Å; V71-L134 HydrophobicContact CG1-CB 3.97Å |
| 72 | A | 93.5 | Very high | 79.7 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 112.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | L108 L123 F130 D132 I133 L134 | A72-L108 CarbonylContact C-O 3.57Å; A72-L108 WeakPolarHBondContact CA-O 3.37Å; A72-L108 HydrophobicContact CB-CB 4.13Å; A72-L123 HydrophobicContact CB-CD1 3.94Å; A72-L123 HydrophobicContact CB-CD2 3.42Å; A72-L123 VanDerWaalsContact CB-CD2 3.42Å; A72-L123 HydrophobicContact CB-CG 4.23Å; A72-F130 HydrophobicContact CB-CB 3.93Å; A72-F130 HydrophobicContact CB-CD1 4.23Å; A72-F130 HydrophobicContact CB-CD2 3.88Å; A72-F130 HydrophobicContact CB-CG 3.74Å; A72-D132 PolarHBondContact N-O 3.25Å; A72-I133 CarbonylContact O-C 3.54Å; A72-I133 WeakPolarHBondContact O-CA 3.2Å; A72-L134 PolarHBondContact O-N 2.71Å |
| 73 | V | 92.4 | Very high | 78.6 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 126.4 | -178.5 | -177.4 | 0 | 0 | 0 | 0 | 110.1 | L59 I62 L63 V71 L75 L108 C109 C110 L134 | L59-V73 HydrophobicContact CD2-CG1 3.87Å; I62-V73 HydrophobicContact CG2-CG2 4.47Å; L63-V73 HydrophobicContact CD1-CB 4.27Å; L63-V73 HydrophobicContact CD1-CG1 4.34Å; L63-V73 HydrophobicContact CD1-CG2 4.34Å; L63-V73 HydrophobicContact CD2-CB 3.87Å; L63-V73 HydrophobicContact CD2-CG2 3.41Å; L63-V73 VanDerWaalsContact CD2-CG2 3.41Å; L63-V73 HydrophobicContact CG-CB 4.39Å; L63-V73 HydrophobicContact CG-CG2 3.94Å; V71-V73 HydrophobicContact CG1-CG2 4.02Å; V73-L75 HydrophobicContact CG1-CD2 3.64Å; V73-L75 HydrophobicContact CG1-CG 4.23Å; V73-L108 PolarHBondContact N-O 3.29Å; V73-C109 WeakPolarHBondContact O-CA 3.28Å; V73-C110 PolarHBondContact O-N 2.86Å; V73-L134 CarbonylContact C-O 3.5Å; V73-L134 WeakPolarHBondContact CA-O 3.46Å; V73-L134 HydrophobicContact CG2-CB 4.13Å; V73-L134 HydrophobicContact CG2-CD2 4.21Å |
| 74 | I | 89.6 | Confident | 78 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 114.2 | 175.5 | -59.5 | 172.3 | 0 | 0 | 0 | 107.6 | W100 V112 A119 I120 L123 I133 L134 L135 E136 | I74-W100 HydrophobicContact CD1-CH2 4.14Å; I74-W100 HydrophobicContact CG1-CH2 3.78Å; I74-W100 HydrophobicContact CG1-CZ3 4.17Å; I74-V112 HydrophobicContact CG2-CG1 4.47Å; I74-V112 HydrophobicContact CG2-CG2 3.75Å; I74-A119 HydrophobicContact CD1-CB 4.06Å; I74-A119 HydrophobicContact CG2-CB 3.91Å; I74-I120 HydrophobicContact CD1-CB 4.45Å; I74-I120 HydrophobicContact CD1-CD1 4.37Å; I74-I120 HydrophobicContact CD1-CG1 3.39Å; I74-L123 HydrophobicContact CD1-CD2 4.21Å; I74-I133 HydrophobicContact CD1-CG2 4.05Å; I74-L134 PolarHBondContact N-O 2.8Å; I74-L135 HydrophobicContact CB-CD1 3.82Å; I74-L135 HydrophobicContact CG2-CD1 3.64Å; I74-E136 PolarHBondContact O-N 3.37Å |
| 75 | L | 86.9 | Confident | 77.3 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 109 | 178.8 | -54.1 | 175.8 | 0 | 0 | 0 | 108.3 | L59 V73 E77 S82 L84 C110 S111 V112 E136 | L59-L75 HydrophobicContact CD1-CD2 3.57Å; V73-L75 HydrophobicContact CG1-CD2 3.64Å; V73-L75 HydrophobicContact CG1-CG 4.23Å; L75-E77 PolarHBondContact O-N 2.82Å; L75-S82 WeakPolarHBondContact CD1-OG 3.24Å; L75-L84 HydrophobicContact CD1-CB 4.15Å; L75-L84 HydrophobicContact CD1-CD2 4.01Å; L75-L84 HydrophobicContact CD1-CG 4.26Å; L75-L84 HydrophobicContact CD2-CD2 4.18Å; L75-C110 WeakPolarHBondContact CB-O 3.42Å; L75-C110 PolarHBondContact N-O 2.76Å; L75-S111 WeakPolarHBondContact O-CA 3.16Å; L75-V112 PolarHBondContact O-N 3.45Å; L75-E136 HydrophobicContact CD2-CB 4.3Å |
| 76 | N | 76.2 | Confident | 76.4 | Confident | 37 Ų | 37 | 58.2 Ų | 58.2 | 20% | 0.198 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 93 | 175.7 | -159 | 5.8 | 0 | 0 | 0 | 108.2 | E136 T138 | N76-E136 WeakPolarHBondContact CB-O 3.26Å; N76-E136 PolarHBondContact N-O 3.4Å; N76-T138 WeakPolarHBondContact O-CG2 3.31Å |
| 77 | E | 66.1 | Low | 75.7 | Confident | 63 Ų | 63 | 53 Ų | 53 | 29% | 0.294 | 30% | 0.303 | S | S | . | . | trans | -109.9 | 135.3 | 179.1 | -165.1 | -171.4 | -147.9 | 0 | 0 | 110.6 | L75 G79 G81 S82 V112 | L75-E77 PolarHBondContact O-N 2.82Å; E77-G79 PolarHBondContact O-N 2.86Å; E77-G81 VanDerWaalsContact OE2-C 3.24Å; E77-S82 WeakPolarHBondContact OE2-CA 3.42Å; E77-S82 PolarHBondContact OE2-N 3.39Å; E77-V112 PolarHBondContact N-O 2.85Å | ||
| 78 | S | 51.8 | Low | 75.1 | Confident | 118 Ų | 118 | 50.6 Ų | 50.6 | 83% | 0.825 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -76.7 | 72.5 | 160.7 | 60.2 | 0 | 0 | 0 | 0 | 109.5 | ||
| 79 | G | 48.8 | Very low | 74.2 | Confident | 25 Ų | 25 | 44.4 Ų | 44.4 | 26% | 0.258 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -176.9 | 168.2 | -173 | 0 | 0 | 0 | 0 | 0 | 116.3 | E77 G81 K113 | E77-G79 PolarHBondContact O-N 2.86Å; G79-G81 PolarHBondContact O-N 3.5Å; G79-K113 WeakPolarHBondContact O-CE 3.36Å; G79-K113 WeakPolarHBondContact O-CG 3.34Å |
| 80 | E | 46 | Very low | 73.2 | Confident | 160 Ų | 160 | 44.6 Ų | 44.6 | 75% | 0.748 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -82.6 | 80.8 | 177.2 | -136.5 | -178.9 | 142.6 | 0 | 0 | 110.3 | K86 | E80-K86 VanDerWaalsContact O-CE 3.25Å; E80-K86 WeakPolarHBondContact O-CE 3.41Å; E80-K86 PolarHBondContact O-NZ 3.31Å |
| 81 | G | 57.3 | Low | 71.8 | Confident | 16 Ų | 16 | 43.5 Ų | 43.5 | 17% | 0.165 | 27% | 0.267 | C | S | . | . | S | Bend | trans | 69.7 | 119.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | E77 G79 E85 K86 | E77-G81 VanDerWaalsContact OE2-C 3.24Å; G79-G81 PolarHBondContact O-N 3.5Å; G81-E85 WeakPolarHBondContact CA-OE2 3.37Å; G81-K86 VanDerWaalsContact O-CE 3.22Å; G81-K86 WeakPolarHBondContact O-CE 3.2Å; G81-K86 PolarHBondContact O-NZ 3.17Å |
| 82 | S | 63 | Low | 70.4 | Confident | 7 Ų | 7 | 45.5 Ų | 45.5 | 5% | 0.049 | 28% | 0.275 | C | S | . | . | trans | -58.5 | 144.8 | -175.1 | 73.9 | 0 | 0 | 0 | 0 | 112.3 | L75 E77 L84 E85 K86 S111 | L75-S82 WeakPolarHBondContact CD1-OG 3.24Å; E77-S82 WeakPolarHBondContact OE2-CA 3.42Å; E77-S82 PolarHBondContact OE2-N 3.39Å; S82-L84 PolarHBondContact O-N 3.46Å; S82-L84 VanDerWaalsContact O-N 3.1Å; S82-E85 PolarHBondContact O-N 3.05Å; S82-E85 VanDerWaalsContact O-N 3.09Å; S82-E85 VanDerWaalsContact OG-CB 3.24Å; S82-E85 WeakPolarHBondContact OG-CB 3.39Å; S82-E85 PolarHBondContact OG-N 3.22Å; S82-K86 PolarHBondContact O-N 3.2Å; S82-S111 PolarHBondContact N-OG 3.09Å | ||
| 83 | A | 68.9 | Low | 68.7 | Low | 78 Ų | 78 | 49 Ų | 49 | 65% | 0.645 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -54.5 | -30.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S87 | A83-S87 VanDerWaalsContact O-CB 3.25Å; A83-S87 WeakPolarHBondContact O-CB 3.44Å; A83-S87 PolarHBondContact O-N 3.1Å |
| 84 | L | 76.1 | Confident | 66.9 | Low | 11 Ų | 11 | 50.8 Ų | 50.8 | 6% | 0.058 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.5 | -51.5 | 175 | -177.4 | 57.5 | 0 | 0 | 0 | 112 | T56 L59 N60 L63 L75 S82 K86 S87 L88 | T56-L84 HydrophobicContact CG2-CB 4.06Å; T56-L84 HydrophobicContact CG2-CD1 4.48Å; T56-L84 HydrophobicContact CG2-CD2 4.17Å; T56-L84 HydrophobicContact CG2-CG 4.48Å; L59-L84 HydrophobicContact CB-CD2 3.73Å; N60-L84 HydrophobicContact CB-CD1 3.74Å; N60-L84 WeakPolarHBondContact OD1-CD1 3.41Å; L63-L84 HydrophobicContact CD1-CD2 4.04Å; L63-L84 HydrophobicContact CD1-CG 4.43Å; L75-L84 HydrophobicContact CD1-CB 4.15Å; L75-L84 HydrophobicContact CD1-CD2 4.01Å; L75-L84 HydrophobicContact CD1-CG 4.26Å; L75-L84 HydrophobicContact CD2-CD2 4.18Å; S82-L84 PolarHBondContact O-N 3.46Å; S82-L84 VanDerWaalsContact O-N 3.1Å; L84-K86 VanDerWaalsContact C-N 3.34Å; L84-K86 PolarHBondContact O-N 2.87Å; L84-S87 WeakPolarHBondContact O-CB 3.29Å; L84-S87 PolarHBondContact O-N 2.89Å; L84-L88 HydrophobicContact CD1-CD1 4.02Å; L84-L88 HydrophobicContact CD1-CG 4.22Å; L84-L88 HydrophobicContact CG-CD1 3.96Å; L84-L88 VanDerWaalsContact O-CG 3.27Å; L84-L88 WeakPolarHBondContact O-CG 3.36Å; L84-L88 PolarHBondContact O-N 3.45Å |
| 85 | E | 73.4 | Confident | 64.9 | Low | 22 Ų | 22 | 57.9 Ų | 57.9 | 10% | 0.103 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -56.5 | -47.3 | 177.5 | -179.9 | -169.8 | -163.9 | 0 | 0 | 111.5 | G81 S82 S87 L88 A89 L96 S111 | G81-E85 WeakPolarHBondContact CA-OE2 3.37Å; S82-E85 PolarHBondContact O-N 3.05Å; S82-E85 VanDerWaalsContact O-N 3.09Å; S82-E85 VanDerWaalsContact OG-CB 3.24Å; S82-E85 WeakPolarHBondContact OG-CB 3.39Å; S82-E85 PolarHBondContact OG-N 3.22Å; E85-S87 PolarHBondContact O-N 2.83Å; E85-L88 PolarHBondContact O-N 3.16Å; E85-A89 WeakPolarHBondContact O-CB 3.4Å; E85-A89 PolarHBondContact O-N 3.41Å; E85-L96 HydrophobicContact CG-CD2 4.24Å; E85-S111 WeakPolarHBondContact OE2-CB 3.37Å |
| 86 | K | 73.4 | Confident | 63.1 | Low | 96 Ų | 96 | 62.6 Ų | 62.6 | 42% | 0.417 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.2 | -43.1 | 177.9 | -70 | 172.8 | -178.3 | 156.8 | 0 | 112 | E80 G81 S82 L84 L88 A89 V90 | E80-K86 VanDerWaalsContact O-CE 3.25Å; E80-K86 WeakPolarHBondContact O-CE 3.41Å; E80-K86 PolarHBondContact O-NZ 3.31Å; G81-K86 VanDerWaalsContact O-CE 3.22Å; G81-K86 WeakPolarHBondContact O-CE 3.2Å; G81-K86 PolarHBondContact O-NZ 3.17Å; S82-K86 PolarHBondContact O-N 3.2Å; L84-K86 VanDerWaalsContact C-N 3.34Å; L84-K86 PolarHBondContact O-N 2.87Å; K86-L88 VanDerWaalsContact C-N 3.3Å; K86-L88 PolarHBondContact O-N 2.89Å; K86-A89 PolarHBondContact O-N 3.47Å; K86-V90 WeakPolarHBondContact O-CB 3.25Å; K86-V90 VanDerWaalsContact O-CG2 3.27Å; K86-V90 WeakPolarHBondContact O-CG2 3.46Å; K86-V90 PolarHBondContact O-N 2.76Å |
| 87 | S | 74.9 | Confident | 61.4 | Low | 69 Ų | 69 | 70.3 Ų | 70.3 | 48% | 0.483 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.6 | -42.6 | 176.3 | -175.1 | 0 | 0 | 0 | 0 | 111.2 | A83 L84 E85 S91 | A83-S87 VanDerWaalsContact O-CB 3.25Å; A83-S87 WeakPolarHBondContact O-CB 3.44Å; A83-S87 PolarHBondContact O-N 3.1Å; L84-S87 WeakPolarHBondContact O-CB 3.29Å; L84-S87 PolarHBondContact O-N 2.89Å; E85-S87 PolarHBondContact O-N 2.83Å; S87-S91 WeakPolarHBondContact O-CB 3.42Å; S87-S91 PolarHBondContact O-N 3.07Å; S87-S91 PolarHBondContact O-OG 2.9Å |
| 88 | L | 75.9 | Confident | 60.9 | Low | 4 Ų | 4 | 74.6 Ų | 74.6 | 2% | 0.021 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -68.4 | -44.6 | 178.9 | -68 | 170 | 0 | 0 | 0 | 111.9 | L63 T64 L84 E85 K86 V90 S91 Q92 L101 L103 | L63-L88 HydrophobicContact CB-CD1 4.02Å; L63-L88 HydrophobicContact CD1-CD1 3.48Å; L63-L88 VanDerWaalsContact CD1-CD1 3.48Å; L63-L88 HydrophobicContact CG-CD1 4.35Å; T64-L88 HydrophobicContact CG2-CD2 3.69Å; L84-L88 HydrophobicContact CD1-CD1 4.02Å; L84-L88 HydrophobicContact CD1-CG 4.22Å; L84-L88 HydrophobicContact CG-CD1 3.96Å; L84-L88 VanDerWaalsContact O-CG 3.27Å; L84-L88 WeakPolarHBondContact O-CG 3.36Å; L84-L88 PolarHBondContact O-N 3.45Å; E85-L88 PolarHBondContact O-N 3.16Å; K86-L88 VanDerWaalsContact C-N 3.3Å; K86-L88 PolarHBondContact O-N 2.89Å; L88-V90 PolarHBondContact O-N 3.45Å; L88-S91 WeakPolarHBondContact CA-OG 3.1Å; L88-S91 PolarHBondContact O-N 3.42Å; L88-S91 PolarHBondContact O-OG 3.3Å; L88-Q92 PolarHBondContact O-N 2.94Å; L88-Q92 VanDerWaalsContact O-N 3.1Å; L88-L101 HydrophobicContact CB-CD2 3.69Å; L88-L103 HydrophobicContact CB-CD2 4.31Å; L88-L103 HydrophobicContact CD1-CD1 4.27Å |
| 89 | A | 68 | Low | 61.7 | Low | 3 Ų | 3 | 74.4 Ų | 74.4 | 3% | 0.025 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -59.4 | -47.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E85 K86 S91 Q92 G93 G94 L96 L101 | E85-A89 WeakPolarHBondContact O-CB 3.4Å; E85-A89 PolarHBondContact O-N 3.41Å; K86-A89 PolarHBondContact O-N 3.47Å; A89-S91 VanDerWaalsContact C-N 3.34Å; A89-S91 PolarHBondContact O-N 2.93Å; A89-Q92 PolarHBondContact O-N 2.82Å; A89-G93 PolarHBondContact O-N 3.37Å; A89-G94 PolarHBondContact O-N 3.22Å; A89-L96 HydrophobicContact CB-CD1 4.03Å; A89-L96 HydrophobicContact CB-CG 4.01Å; A89-L101 HydrophobicContact CB-CD2 4.3Å |
| 90 | V | 68.6 | Low | 63.1 | Low | 119 Ų | 119 | 73.6 Ų | 73.6 | 72% | 0.721 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -61.2 | -43.4 | 175.8 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | K86 L88 Q92 G93 | K86-V90 WeakPolarHBondContact O-CB 3.25Å; K86-V90 VanDerWaalsContact O-CG2 3.27Å; K86-V90 WeakPolarHBondContact O-CG2 3.46Å; K86-V90 PolarHBondContact O-N 2.76Å; L88-V90 PolarHBondContact O-N 3.45Å; V90-Q92 PolarHBondContact O-N 2.84Å; V90-G93 PolarHBondContact O-N 3.11Å |
| 91 | S | 63.1 | Low | 64.9 | Low | 73 Ų | 73 | 67.3 Ų | 67.3 | 51% | 0.51 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.5 | -23.9 | -178.9 | 72.4 | 0 | 0 | 0 | 0 | 113.8 | S87 L88 A89 | S87-S91 WeakPolarHBondContact O-CB 3.42Å; S87-S91 PolarHBondContact O-N 3.07Å; S87-S91 PolarHBondContact O-OG 2.9Å; L88-S91 WeakPolarHBondContact CA-OG 3.1Å; L88-S91 PolarHBondContact O-N 3.42Å; L88-S91 PolarHBondContact O-OG 3.3Å; A89-S91 VanDerWaalsContact C-N 3.34Å; A89-S91 PolarHBondContact O-N 2.93Å |
| 92 | Q | 63.9 | Low | 66.3 | Low | 54 Ų | 54 | 71.6 Ų | 71.6 | 25% | 0.252 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -99.7 | -1.9 | 179.3 | -65.2 | -166.1 | 11.6 | 0 | 0 | 114 | L88 A89 V90 G94 E102 | L88-Q92 PolarHBondContact O-N 2.94Å; L88-Q92 VanDerWaalsContact O-N 3.1Å; A89-Q92 PolarHBondContact O-N 2.82Å; V90-Q92 PolarHBondContact O-N 2.84Å; Q92-G94 PolarHBondContact O-N 3.43Å; Q92-E102 PolarHBondContact OE1-O 2.9Å; Q92-E102 VanDerWaalsContact OE1-O 3.11Å |
| 93 | G | 57.7 | Low | 67.4 | Low | 74 Ų | 74 | 71.6 Ų | 71.6 | 76% | 0.763 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 20.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | A89 V90 | A89-G93 PolarHBondContact O-N 3.37Å; V90-G93 PolarHBondContact O-N 3.11Å |
| 94 | G | 55.3 | Low | 68.2 | Low | 36 Ų | 36 | 78 Ų | 78 | 37% | 0.371 | 40% | 0.404 | S | S | . | . | trans | -94.7 | 146.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A89 Q92 | A89-G94 PolarHBondContact O-N 3.22Å; Q92-G94 PolarHBondContact O-N 3.43Å | ||
| 95 | E | 47.6 | Very low | 68.7 | Low | 149 Ų | 149 | 79 Ų | 79 | 70% | 0.696 | 41% | 0.409 | S | S | * | . | trans | -78.8 | 143.4 | 168.3 | -68 | -83.7 | 141.4 | 0 | 0 | 110.4 | Y97 | E95-Y97 HydrophobicContact CB-CD2 3.42Å; E95-Y97 VanDerWaalsContact CB-CD2 3.42Å; E95-Y97 HydrophobicContact CB-CE2 3.82Å; E95-Y97 HydrophobicContact CB-CG 4.48Å; E95-Y97 HydrophobicContact CG-CD2 4.17Å; E95-Y97 HydrophobicContact CG-CE2 4.14Å; E95-Y97 PolarHBondContact O-N 3.33Å; E95-Y97 WeakPolarHBondContact OE2-CE2 3.49Å | ||
| 96 | L | 48.7 | Very low | 69.3 | Low | 100 Ų | 100 | 78.9 Ų | 78.9 | 52% | 0.524 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | 45.9 | 178.5 | -90.9 | 129.7 | 0 | 0 | 0 | 113.1 | E85 A89 | E85-L96 HydrophobicContact CG-CD2 4.24Å; A89-L96 HydrophobicContact CB-CD1 4.03Å; A89-L96 HydrophobicContact CB-CG 4.01Å |
| 97 | Y | 41.7 | Very low | 70.2 | Confident | 200 Ų | 200 | 74.3 Ų | 74.3 | 78% | 0.784 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.4 | -10.7 | -177.3 | -72.2 | -64.6 | 0 | 0 | 0 | 114.9 | E95 | E95-Y97 HydrophobicContact CB-CD2 3.42Å; E95-Y97 VanDerWaalsContact CB-CD2 3.42Å; E95-Y97 HydrophobicContact CB-CE2 3.82Å; E95-Y97 HydrophobicContact CB-CG 4.48Å; E95-Y97 HydrophobicContact CG-CD2 4.17Å; E95-Y97 HydrophobicContact CG-CE2 4.14Å; E95-Y97 PolarHBondContact O-N 3.33Å; E95-Y97 WeakPolarHBondContact OE2-CE2 3.49Å |
| 98 | E | 54 | Low | 70.9 | Confident | 152 Ų | 152 | 71.2 Ų | 71.2 | 71% | 0.71 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -96.2 | 137.2 | 172.6 | -63.7 | -159.2 | 164.2 | 0 | 0 | 110.4 | W100 | E98-W100 WeakPolarHBondContact CB-O 3.44Å; E98-W100 PolarHBondContact O-N 3.35Å |
| 99 | E | 69.2 | Low | 71.5 | Confident | 115 Ų | 115 | 71 Ų | 71 | 54% | 0.537 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -58.1 | -17.2 | 173.3 | -171.9 | -172.7 | -177.4 | 0 | 0 | 112.1 | C110 N122 | E99-C110 WeakPolarHBondContact O-CB 3.45Å; E99-N122 PolarHBondContact OE1-ND2 3.26Å |
| 100 | W | 77.8 | Confident | 72.3 | Confident | 7 Ų | 7 | 71 Ų | 71 | 3% | 0.027 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -134.8 | 129.3 | 179.7 | -65.9 | 83.1 | 0 | 0 | 0 | 110.3 | I74 E98 L108 C110 A119 L123 | I74-W100 HydrophobicContact CD1-CH2 4.14Å; I74-W100 HydrophobicContact CG1-CH2 3.78Å; I74-W100 HydrophobicContact CG1-CZ3 4.17Å; E98-W100 WeakPolarHBondContact CB-O 3.44Å; E98-W100 PolarHBondContact O-N 3.35Å; W100-L108 HydrophobicContact CE3-CB 4.24Å; W100-C110 HydrophobicContact CD2-CB 3.84Å; W100-C110 HydrophobicContact CE3-CB 3.55Å; W100-C110 HydrophobicContact CH2-CB 4.05Å; W100-C110 WeakPolarHBondContact CH2-SG 3.5Å; W100-C110 HydrophobicContact CZ2-CB 4.26Å; W100-C110 HydrophobicContact CZ3-CB 3.67Å; W100-C110 WeakPolarHBondContact CZ3-SG 3.42Å; W100-A119 WeakPolarHBondContact CZ2-O 3.48Å; W100-L123 HydrophobicContact CD2-CD1 4.24Å; W100-L123 HydrophobicContact CE3-CD1 3.99Å; W100-L123 HydrophobicContact CH2-CB 3.64Å; W100-L123 HydrophobicContact CH2-CD1 3.69Å; W100-L123 HydrophobicContact CH2-CD2 3.82Å; W100-L123 HydrophobicContact CH2-CG 3.88Å; W100-L123 HydrophobicContact CZ2-CB 3.6Å; W100-L123 HydrophobicContact CZ2-CD1 4Å; W100-L123 HydrophobicContact CZ2-CG 4.23Å; W100-L123 HydrophobicContact CZ3-CD1 3.7Å; W100-L123 HydrophobicContact CZ3-CD2 4.18Å; W100-L123 HydrophobicContact CZ3-CG 4.32Å |
| 101 | L | 84.3 | Confident | 72.8 | Confident | 29 Ų | 29 | 66.6 Ų | 66.6 | 15% | 0.152 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 114.7 | 173.5 | -174.6 | 68.1 | 0 | 0 | 0 | 109.3 | L88 A89 L103 L108 C109 | L88-L101 HydrophobicContact CB-CD2 3.69Å; A89-L101 HydrophobicContact CB-CD2 4.3Å; L101-L103 HydrophobicContact CD2-CD2 3.66Å; L101-L103 HydrophobicContact CG-CD2 3.75Å; L101-L108 CarbonylContact O-C 3.59Å; L101-L108 WeakPolarHBondContact O-CA 3.39Å; L101-C109 PolarHBondContact N-O 2.84Å; L101-C109 PolarHBondContact O-N 3.37Å |
| 102 | E | 87 | Confident | 73.4 | Confident | 105 Ų | 105 | 64.1 Ų | 64.1 | 49% | 0.491 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 125 | 172.7 | -168 | 170.6 | 150.1 | 0 | 0 | 110.1 | Q92 L108 K129 | Q92-E102 PolarHBondContact OE1-O 2.9Å; Q92-E102 VanDerWaalsContact OE1-O 3.11Å; E102-L108 HydrophobicContact CB-CD2 3.83Å; E102-L108 HydrophobicContact CG-CD2 3.9Å; E102-K129 IonicContact OE2-NZ 2.98Å; E102-K129 PolarHBondContact OE2-NZ 3.26Å |
| 103 | L | 86.9 | Confident | 73.4 | Confident | 7 Ų | 7 | 68.1 Ų | 68.1 | 4% | 0.037 | 34% | 0.344 | C | S | . | . | trans | -99.5 | 158.9 | -175.3 | -52.7 | -178.8 | 0 | 0 | 0 | 111.8 | L63 L88 L101 N105 G106 C107 | L63-L103 HydrophobicContact CB-CD1 3.51Å; L63-L103 HydrophobicContact CD2-CD1 3.6Å; L63-L103 HydrophobicContact CG-CD1 4.04Å; L63-L103 WeakPolarHBondContact O-CD1 3.24Å; L88-L103 HydrophobicContact CB-CD2 4.31Å; L88-L103 HydrophobicContact CD1-CD1 4.27Å; L101-L103 HydrophobicContact CD2-CD2 3.66Å; L101-L103 HydrophobicContact CG-CD2 3.75Å; L103-N105 WeakPolarHBondContact CB-OD1 3.38Å; L103-N105 PolarHBondContact O-N 3.38Å; L103-N105 VanDerWaalsContact O-N 3.14Å; L103-G106 WeakPolarHBondContact O-CA 3.33Å; L103-G106 PolarHBondContact O-N 3.15Å; L103-C107 HydrophobicContact CB-CB 4.48Å; L103-C107 HydrophobicContact CD1-CB 4.23Å; L103-C107 PolarHBondContact N-O 2.85Å | ||
| 104 | R | 85.6 | Confident | 73.7 | Confident | 213 Ų | 213 | 70.3 Ų | 70.3 | 80% | 0.804 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -26.5 | -176.9 | -64.4 | -176.9 | -177.5 | 170.6 | 3.3 | 114.5 | ||
| 105 | N | 86.8 | Confident | 74.5 | Confident | 31 Ų | 31 | 72.3 Ų | 72.3 | 17% | 0.166 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | 3.7 | 176.2 | 69.4 | -12.9 | 0 | 0 | 0 | 112.8 | I62 L63 E65 L103 C107 | I62-N105 PolarHBondContact O-ND2 2.83Å; I62-N105 VanDerWaalsContact O-ND2 3.1Å; L63-N105 PolarHBondContact O-ND2 3.34Å; L63-N105 VanDerWaalsContact O-ND2 3.15Å; L63-N105 PolarHBondContact O-OD1 3.08Å; E65-N105 PolarHBondContact O-ND2 3.4Å; L103-N105 WeakPolarHBondContact CB-OD1 3.38Å; L103-N105 PolarHBondContact O-N 3.38Å; L103-N105 VanDerWaalsContact O-N 3.14Å; N105-C107 VanDerWaalsContact C-N 3.34Å; N105-C107 PolarHBondContact ND2-SG 3.37Å; N105-C107 VanDerWaalsContact OD1-CB 3.29Å; N105-C107 WeakPolarHBondContact OD1-CB 3.45Å; N105-C107 PolarHBondContact OD1-N 3.23Å; N105-C107 VanDerWaalsContact OD1-N 3.1Å |
| 106 | G | 86.2 | Confident | 75.8 | Confident | 21 Ų | 21 | 65.4 Ų | 65.4 | 22% | 0.216 | 31% | 0.31 | C | S | . | . | S | Bend | trans | 84.3 | 4.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | R70 L103 | R70-G106 WeakPolarHBondContact CB-O 3.37Å; L103-G106 WeakPolarHBondContact O-CA 3.33Å; L103-G106 PolarHBondContact O-N 3.15Å |
| 107 | C | 91.4 | Very high | 77.2 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | trans | -75.8 | 154.3 | 172.3 | -67.8 | 0 | 0 | 0 | 0 | 111.7 | L63 V71 L103 N105 | L63-C107 HydrophobicContact CD2-CB 3.84Å; V71-C107 PolarHBondContact N-SG 2.87Å; V71-C107 CarbonylContact O-C 3.56Å; V71-C107 WeakPolarHBondContact O-CA 3.45Å; V71-C107 VanDerWaalsContact O-CB 3.24Å; V71-C107 WeakPolarHBondContact O-CB 3.44Å; L103-C107 HydrophobicContact CB-CB 4.48Å; L103-C107 HydrophobicContact CD1-CB 4.23Å; L103-C107 PolarHBondContact N-O 2.85Å; N105-C107 VanDerWaalsContact C-N 3.34Å; N105-C107 PolarHBondContact ND2-SG 3.37Å; N105-C107 VanDerWaalsContact OD1-CB 3.29Å; N105-C107 WeakPolarHBondContact OD1-CB 3.45Å; N105-C107 PolarHBondContact OD1-N 3.23Å; N105-C107 VanDerWaalsContact OD1-N 3.1Å | ||
| 108 | L | 89.4 | Confident | 79 | Confident | 4 Ų | 4 | 60.8 Ų | 60.8 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 140.8 | 172.9 | -65.6 | 167.4 | 0 | 0 | 0 | 108.6 | V71 A72 V73 W100 L101 E102 L123 K129 F130 | V71-L108 PolarHBondContact O-N 2.84Å; A72-L108 CarbonylContact C-O 3.57Å; A72-L108 WeakPolarHBondContact CA-O 3.37Å; A72-L108 HydrophobicContact CB-CB 4.13Å; V73-L108 PolarHBondContact N-O 3.29Å; W100-L108 HydrophobicContact CE3-CB 4.24Å; L101-L108 CarbonylContact O-C 3.59Å; L101-L108 WeakPolarHBondContact O-CA 3.39Å; E102-L108 HydrophobicContact CB-CD2 3.83Å; E102-L108 HydrophobicContact CG-CD2 3.9Å; L108-L123 HydrophobicContact CD1-CD1 4.04Å; L108-K129 HydrophobicContact CD1-CB 4.19Å; L108-F130 HydrophobicContact CD1-CB 4.41Å; L108-F130 HydrophobicContact CD1-CD1 3.79Å; L108-F130 HydrophobicContact CD1-CG 4.47Å |
| 109 | C | 87.9 | Confident | 80.4 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 136.6 | 175.7 | -179.4 | 0 | 0 | 0 | 0 | 110 | L63 V73 L101 | L63-C109 HydrophobicContact CD1-CB 4.02Å; L63-C109 HydrophobicContact CD2-CB 4.09Å; V73-C109 WeakPolarHBondContact O-CA 3.28Å; L101-C109 PolarHBondContact N-O 2.84Å; L101-C109 PolarHBondContact O-N 3.37Å |
| 110 | C | 85.2 | Confident | 81.2 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.014 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 154.5 | 164.3 | 75 | 0 | 0 | 0 | 0 | 110.8 | V73 L75 E99 W100 | V73-C110 PolarHBondContact O-N 2.86Å; L75-C110 WeakPolarHBondContact CB-O 3.42Å; L75-C110 PolarHBondContact N-O 2.76Å; E99-C110 WeakPolarHBondContact O-CB 3.45Å; W100-C110 HydrophobicContact CD2-CB 3.84Å; W100-C110 HydrophobicContact CE3-CB 3.55Å; W100-C110 HydrophobicContact CH2-CB 4.05Å; W100-C110 WeakPolarHBondContact CH2-SG 3.5Å; W100-C110 HydrophobicContact CZ2-CB 4.26Å; W100-C110 HydrophobicContact CZ3-CB 3.67Å; W100-C110 WeakPolarHBondContact CZ3-SG 3.42Å |
| 111 | S | 80.4 | Confident | 81.5 | Confident | 26 Ų | 26 | 53.8 Ų | 53.8 | 18% | 0.182 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 130.3 | 164.4 | -164.6 | 0 | 0 | 0 | 0 | 108.8 | L75 S82 E85 | L75-S111 WeakPolarHBondContact O-CA 3.16Å; S82-S111 PolarHBondContact N-OG 3.09Å; E85-S111 WeakPolarHBondContact OE2-CB 3.37Å |
| 112 | V | 74.4 | Confident | 81.5 | Confident | 22 Ų | 22 | 55 Ų | 55 | 13% | 0.133 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 139 | 174.8 | -63.4 | 0 | 0 | 0 | 0 | 110.9 | I74 L75 E77 A119 | I74-V112 HydrophobicContact CG2-CG1 4.47Å; I74-V112 HydrophobicContact CG2-CG2 3.75Å; L75-V112 PolarHBondContact O-N 3.45Å; E77-V112 PolarHBondContact N-O 2.85Å; V112-A119 HydrophobicContact CB-CB 4.35Å; V112-A119 HydrophobicContact CG1-CB 3.51Å; V112-A119 HydrophobicContact CG2-CB 4.23Å |
| 113 | K | 64.3 | Low | 81.4 | Confident | 137 Ų | 137 | 50 Ų | 50 | 60% | 0.596 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -90.6 | -24 | 172.7 | -69.2 | -179.3 | 179.2 | 174.8 | 0 | 112.5 | G79 | G79-K113 WeakPolarHBondContact O-CE 3.36Å; G79-K113 WeakPolarHBondContact O-CG 3.34Å |
| 114 | D | 63.7 | Low | 81.4 | Confident | 121 Ų | 121 | 51.3 Ų | 51.3 | 65% | 0.647 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -107.9 | -172.6 | -175 | -67.6 | -44.5 | 0 | 0 | 0 | 111 | G116 | D114-G116 PolarHBondContact O-N 2.88Š|
| 115 | N | 71.6 | Confident | 81.4 | Confident | 77 Ų | 77 | 48.7 Ų | 48.7 | 41% | 0.412 | 24% | 0.241 | S | C | . | . | trans | -52.1 | 121.5 | -175.6 | -172.8 | -9.9 | 0 | 0 | 0 | 113.3 | L117 R118 | N115-L117 PolarHBondContact O-N 2.89Å; N115-L117 VanDerWaalsContact O-N 3.09Å; N115-L117 PolarHBondContact OD1-N 2.84Å; N115-R118 PolarHBondContact O-N 3.38Å | ||
| 116 | G | 75.2 | Confident | 81.4 | Confident | 5 Ų | 5 | 50.3 Ų | 50.3 | 5% | 0.052 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -54.6 | -25.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | D114 R118 A119 I120 | D114-G116 PolarHBondContact O-N 2.88Å; G116-R118 PolarHBondContact O-N 3.34Å; G116-A119 VanDerWaalsContact O-CB 3.3Å; G116-A119 WeakPolarHBondContact O-CB 3.25Å; G116-A119 PolarHBondContact O-N 2.84Å; G116-I120 WeakPolarHBondContact O-CG1 3.36Å; G116-I120 PolarHBondContact O-N 3.43Å |
| 117 | L | 78.4 | Confident | 81.4 | Confident | 39 Ų | 39 | 53.6 Ų | 53.6 | 20% | 0.204 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.1 | -44.1 | 172.7 | -73.3 | 178 | 0 | 0 | 0 | 112.9 | N115 A119 I120 E121 M149 | N115-L117 PolarHBondContact O-N 2.89Å; N115-L117 VanDerWaalsContact O-N 3.09Å; N115-L117 PolarHBondContact OD1-N 2.84Å; L117-A119 PolarHBondContact O-N 2.82Å; L117-I120 CarbonylContact O-C 3.6Å; L117-I120 WeakPolarHBondContact O-CA 3.5Å; L117-I120 WeakPolarHBondContact O-CB 3.43Å; L117-I120 PolarHBondContact O-N 3.07Å; L117-I120 VanDerWaalsContact O-N 3.09Å; L117-E121 WeakPolarHBondContact O-CG 3.47Å; L117-E121 PolarHBondContact O-N 2.88Å; L117-M149 HydrophobicContact CD1-CB 3.74Å; L117-M149 HydrophobicContact CD1-CG 3.96Å; L117-M149 HydrophobicContact CD1-SD 3.62Å; L117-M149 HydrophobicContact CD2-CB 3.83Å; L117-M149 HydrophobicContact CD2-SD 4.4Å; L117-M149 HydrophobicContact CG-CB 4.02Å; L117-M149 HydrophobicContact CG-CG 4.38Å; L117-M149 HydrophobicContact CG-SD 3.69Å |
| 118 | R | 80 | Confident | 81.2 | Confident | 163 Ų | 163 | 56 Ų | 56 | 62% | 0.615 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -64.7 | -35.9 | 179.2 | -71 | -176.1 | 171.1 | -176.3 | -2 | 111.3 | N115 G116 I120 E121 N122 | N115-R118 PolarHBondContact O-N 3.38Å; G116-R118 PolarHBondContact O-N 3.34Å; R118-I120 VanDerWaalsContact C-N 3.3Å; R118-E121 PolarHBondContact O-N 3.11Å; R118-N122 WeakPolarHBondContact O-CB 3.27Å; R118-N122 PolarHBondContact O-N 3.1Å |
| 119 | A | 83.1 | Confident | 81.2 | Confident | 5 Ų | 5 | 60.4 Ų | 60.4 | 4% | 0.041 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.9 | -44 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | I74 W100 V112 G116 L117 N122 L123 | I74-A119 HydrophobicContact CD1-CB 4.06Å; I74-A119 HydrophobicContact CG2-CB 3.91Å; W100-A119 WeakPolarHBondContact CZ2-O 3.48Å; V112-A119 HydrophobicContact CB-CB 4.35Å; V112-A119 HydrophobicContact CG1-CB 3.51Å; V112-A119 HydrophobicContact CG2-CB 4.23Å; G116-A119 VanDerWaalsContact O-CB 3.3Å; G116-A119 WeakPolarHBondContact O-CB 3.25Å; G116-A119 PolarHBondContact O-N 2.84Å; L117-A119 PolarHBondContact O-N 2.82Å; A119-N122 PolarHBondContact O-N 3.02Å; A119-L123 VanDerWaalsContact O-CB 3.25Å; A119-L123 WeakPolarHBondContact O-CB 3.18Å; A119-L123 PolarHBondContact O-N 2.91Å |
| 120 | I | 85.3 | Confident | 81.4 | Confident | 4 Ų | 4 | 60.6 Ų | 60.6 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.8 | -46.4 | 176 | -65.8 | 170.4 | 0 | 0 | 0 | 110.8 | V44 I74 G116 L117 R118 N122 L123 M124 I133 F150 I160 | V44-I120 HydrophobicContact CG1-CD1 4.44Å; I74-I120 HydrophobicContact CD1-CB 4.45Å; I74-I120 HydrophobicContact CD1-CD1 4.37Å; I74-I120 HydrophobicContact CD1-CG1 3.39Å; G116-I120 WeakPolarHBondContact O-CG1 3.36Å; G116-I120 PolarHBondContact O-N 3.43Å; L117-I120 CarbonylContact O-C 3.6Å; L117-I120 WeakPolarHBondContact O-CA 3.5Å; L117-I120 WeakPolarHBondContact O-CB 3.43Å; L117-I120 PolarHBondContact O-N 3.07Å; L117-I120 VanDerWaalsContact O-N 3.09Å; R118-I120 VanDerWaalsContact C-N 3.3Å; I120-N122 VanDerWaalsContact C-N 3.31Å; I120-N122 PolarHBondContact O-N 2.95Å; I120-L123 CarbonylContact O-C 3.59Å; I120-L123 WeakPolarHBondContact O-CA 3.36Å; I120-L123 WeakPolarHBondContact O-CB 3.36Å; I120-L123 PolarHBondContact O-N 3.35Å; I120-M124 HydrophobicContact CG2-CG 4.34Å; I120-M124 VanDerWaalsContact O-CG 3.28Å; I120-M124 WeakPolarHBondContact O-CG 3.27Å; I120-M124 PolarHBondContact O-N 3.48Å; I120-I133 HydrophobicContact CG1-CG2 4.48Å; I120-I133 HydrophobicContact CG2-CD1 4.13Å; I120-F150 HydrophobicContact CD1-CE1 3.66Å; I120-F150 HydrophobicContact CD1-CZ 3.51Å; I120-I160 HydrophobicContact CG2-CD1 3.53Å |
| 121 | E | 84.4 | Confident | 81.8 | Confident | 118 Ų | 118 | 64 Ų | 64 | 55% | 0.551 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -55.5 | -45 | 175.7 | -71.2 | 172.1 | 168.9 | 0 | 0 | 112 | L117 R118 M124 | L117-E121 WeakPolarHBondContact O-CG 3.47Å; L117-E121 PolarHBondContact O-N 2.88Å; R118-E121 PolarHBondContact O-N 3.11Å; E121-M124 PolarHBondContact O-N 3.03Å |
| 122 | N | 83.6 | Confident | 82.4 | Confident | 54 Ų | 54 | 64.4 Ų | 64.4 | 29% | 0.289 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66 | -38.8 | 175.8 | -73.5 | -8.9 | 0 | 0 | 0 | 112 | E99 R118 A119 I120 M124 Q125 | E99-N122 PolarHBondContact OE1-ND2 3.26Å; R118-N122 WeakPolarHBondContact O-CB 3.27Å; R118-N122 PolarHBondContact O-N 3.1Å; A119-N122 PolarHBondContact O-N 3.02Å; I120-N122 VanDerWaalsContact C-N 3.31Å; I120-N122 PolarHBondContact O-N 2.95Å; N122-M124 VanDerWaalsContact C-N 3.32Å; N122-M124 PolarHBondContact O-N 3.47Å; N122-Q125 WeakPolarHBondContact O-CB 3.36Å; N122-Q125 PolarHBondContact O-N 2.91Å |
| 123 | L | 85.7 | Confident | 83.3 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.1 | -36.6 | 177.6 | -178.5 | 59.4 | 0 | 0 | 0 | 111.8 | A72 I74 W100 L108 A119 I120 Q125 K126 F130 I133 | A72-L123 HydrophobicContact CB-CD1 3.94Å; A72-L123 HydrophobicContact CB-CD2 3.42Å; A72-L123 VanDerWaalsContact CB-CD2 3.42Å; A72-L123 HydrophobicContact CB-CG 4.23Å; I74-L123 HydrophobicContact CD1-CD2 4.21Å; W100-L123 HydrophobicContact CD2-CD1 4.24Å; W100-L123 HydrophobicContact CE3-CD1 3.99Å; W100-L123 HydrophobicContact CH2-CB 3.64Å; W100-L123 HydrophobicContact CH2-CD1 3.69Å; W100-L123 HydrophobicContact CH2-CD2 3.82Å; W100-L123 HydrophobicContact CH2-CG 3.88Å; W100-L123 HydrophobicContact CZ2-CB 3.6Å; W100-L123 HydrophobicContact CZ2-CD1 4Å; W100-L123 HydrophobicContact CZ2-CG 4.23Å; W100-L123 HydrophobicContact CZ3-CD1 3.7Å; W100-L123 HydrophobicContact CZ3-CD2 4.18Å; W100-L123 HydrophobicContact CZ3-CG 4.32Å; L108-L123 HydrophobicContact CD1-CD1 4.04Å; A119-L123 VanDerWaalsContact O-CB 3.25Å; A119-L123 WeakPolarHBondContact O-CB 3.18Å; A119-L123 PolarHBondContact O-N 2.91Å; I120-L123 CarbonylContact O-C 3.59Å; I120-L123 WeakPolarHBondContact O-CA 3.36Å; I120-L123 WeakPolarHBondContact O-CB 3.36Å; I120-L123 PolarHBondContact O-N 3.35Å; L123-Q125 PolarHBondContact O-N 3.04Å; L123-K126 WeakPolarHBondContact O-CA 3.43Å; L123-K126 WeakPolarHBondContact O-CB 3.31Å; L123-K126 PolarHBondContact O-N 3.06Å; L123-F130 HydrophobicContact CD1-CD1 3.9Å; L123-F130 HydrophobicContact CD1-CE1 3.51Å; L123-F130 HydrophobicContact CD1-CZ 3.99Å; L123-F130 HydrophobicContact CD2-CE1 4.33Å; L123-F130 HydrophobicContact CD2-CE2 4.09Å; L123-F130 HydrophobicContact CD2-CZ 3.98Å; L123-F130 HydrophobicContact CG-CD1 4.31Å; L123-F130 HydrophobicContact CG-CE1 3.59Å; L123-F130 HydrophobicContact CG-CE2 4.12Å; L123-F130 HydrophobicContact CG-CZ 3.5Å; L123-F130 VanDerWaalsContact CG-CZ 3.5Å; L123-F130 WeakPolarHBondContact O-CE1 3.31Å; L123-I133 HydrophobicContact CD2-CD1 3.86Å; L123-I133 HydrophobicContact CD2-CG1 3.87Å; L123-I133 HydrophobicContact CD2-CG2 4.39Å |
| 124 | M | 86.6 | Confident | 84.7 | Confident | 36 Ų | 36 | 57.6 Ų | 57.6 | 18% | 0.177 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.4 | -21.1 | 178.6 | -70 | -51.7 | -67.7 | 0 | 0 | 113.3 | I42 I120 E121 N122 K126 K127 F130 I133 D159 I160 | I42-M124 HydrophobicContact CD1-CE 3.81Å; I42-M124 HydrophobicContact CD1-SD 3.85Å; I42-M124 HydrophobicContact CG1-CE 4.45Å; I120-M124 HydrophobicContact CG2-CG 4.34Å; I120-M124 VanDerWaalsContact O-CG 3.28Å; I120-M124 WeakPolarHBondContact O-CG 3.27Å; I120-M124 PolarHBondContact O-N 3.48Å; E121-M124 PolarHBondContact O-N 3.03Å; N122-M124 VanDerWaalsContact C-N 3.32Å; N122-M124 PolarHBondContact O-N 3.47Å; M124-K126 PolarHBondContact O-N 2.88Å; M124-K127 HydrophobicContact CE-CB 4.49Å; M124-K127 HydrophobicContact CE-CD 3.99Å; M124-K127 HydrophobicContact CE-CG 4.43Å; M124-K127 VanDerWaalsContact O-CB 3.27Å; M124-K127 WeakPolarHBondContact O-CB 3.4Å; M124-K127 PolarHBondContact O-N 2.82Å; M124-K127 VanDerWaalsContact O-N 3.1Å; M124-F130 HydrophobicContact SD-CE2 4.45Å; M124-F130 HydrophobicContact SD-CZ 4.11Å; M124-I133 HydrophobicContact SD-CD1 4.33Å; M124-D159 HydrophobicContact CE-CB 3.45Å; M124-D159 VanDerWaalsContact CE-CB 3.45Å; M124-I160 HydrophobicContact CE-CG2 3.79Å; M124-I160 HydrophobicContact CG-CG2 4.21Å; M124-I160 HydrophobicContact SD-CG2 3.45Å; M124-I160 WeakPolarHBondContact SD-CG2 3.25Å |
| 125 | Q | 86.3 | Confident | 86 | Confident | 157 Ų | 157 | 52 Ų | 52 | 73% | 0.734 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -19.3 | 169.3 | -56.8 | 178 | 18.9 | 0 | 0 | 112.6 | N122 L123 | N122-Q125 WeakPolarHBondContact O-CB 3.36Å; N122-Q125 PolarHBondContact O-N 2.91Å; L123-Q125 PolarHBondContact O-N 3.04Å |
| 126 | K | 86.1 | Confident | 86.9 | Confident | 65 Ų | 65 | 49.4 Ų | 49.4 | 28% | 0.283 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 18.2 | 176.6 | -56 | -174.3 | -179.3 | 76.8 | 0 | 112.7 | L123 M124 G128 K129 F130 | L123-K126 WeakPolarHBondContact O-CA 3.43Å; L123-K126 WeakPolarHBondContact O-CB 3.31Å; L123-K126 PolarHBondContact O-N 3.06Å; M124-K126 PolarHBondContact O-N 2.88Å; K126-G128 PolarHBondContact O-N 3.21Å; K126-K129 HydrophobicContact CB-CD 4.4Å; K126-K129 WeakPolarHBondContact O-CB 3.27Å; K126-K129 PolarHBondContact O-N 2.7Å; K126-K129 VanDerWaalsContact O-N 3.1Å; K126-F130 HydrophobicContact CB-CE1 4.36Å |
| 127 | K | 86.5 | Confident | 87.4 | Confident | 91 Ų | 91 | 49.2 Ų | 49.2 | 40% | 0.396 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.9 | 134.9 | 177.4 | -178.6 | 173.9 | -165.2 | -173 | 0 | 111.2 | I42 M124 D159 | I42-K127 HydrophobicContact CD1-CG 4.19Å; M124-K127 HydrophobicContact CE-CB 4.49Å; M124-K127 HydrophobicContact CE-CD 3.99Å; M124-K127 HydrophobicContact CE-CG 4.43Å; M124-K127 VanDerWaalsContact O-CB 3.27Å; M124-K127 WeakPolarHBondContact O-CB 3.4Å; M124-K127 PolarHBondContact O-N 2.82Å; M124-K127 VanDerWaalsContact O-N 3.1Å; K127-D159 IonicContact NZ-OD1 2.84Å; K127-D159 PolarHBondContact NZ-OD1 2.84Å; K127-D159 IonicContact NZ-OD2 2.84Å; K127-D159 PolarHBondContact NZ-OD2 3.47Å |
| 128 | G | 87.3 | Confident | 87.3 | Confident | 50 Ų | 50 | 49.5 Ų | 49.5 | 52% | 0.515 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 96.4 | -13.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | R70 K126 | R70-G128 PolarHBondContact NH1-O 3.47Å; R70-G128 PolarHBondContact NH2-O 3.1Å; K126-G128 PolarHBondContact O-N 3.21Å |
| 129 | K | 90.1 | Very high | 87 | Confident | 97 Ų | 97 | 42.2 Ų | 42.2 | 42% | 0.422 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -82.4 | -22.6 | 169.4 | -73.7 | -162.8 | 162.5 | -156.9 | 0 | 113.9 | R70 E102 L108 K126 | R70-K129 WeakPolarHBondContact CD-O 3.41Å; R70-K129 PolarHBondContact NH1-O 2.76Å; E102-K129 IonicContact OE2-NZ 2.98Å; E102-K129 PolarHBondContact OE2-NZ 3.26Å; L108-K129 HydrophobicContact CD1-CB 4.19Å; K126-K129 HydrophobicContact CB-CD 4.4Å; K126-K129 WeakPolarHBondContact O-CB 3.27Å; K126-K129 PolarHBondContact O-N 2.7Å; K126-K129 VanDerWaalsContact O-N 3.1Å |
| 130 | F | 91.7 | Very high | 86.4 | Confident | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.018 | 25% | 0.254 | C | S | . | . | trans | -136 | 157.7 | -178.5 | 58 | -83.4 | 0 | 0 | 0 | 109.8 | I42 R70 A72 L108 L123 M124 K126 I133 | I42-F130 HydrophobicContact CD1-CD2 4.1Å; I42-F130 HydrophobicContact CD1-CE2 3.35Å; I42-F130 HydrophobicContact CD1-CZ 3.81Å; I42-F130 HydrophobicContact CG2-CD2 4.18Å; I42-F130 HydrophobicContact CG2-CE2 3.97Å; R70-F130 CarbonylContact O-C 3.59Å; R70-F130 VanDerWaalsContact O-CA 3.3Å; R70-F130 WeakPolarHBondContact O-CA 3.33Å; R70-F130 WeakPolarHBondContact O-CB 3.43Å; A72-F130 HydrophobicContact CB-CB 3.93Å; A72-F130 HydrophobicContact CB-CD1 4.23Å; A72-F130 HydrophobicContact CB-CD2 3.88Å; A72-F130 HydrophobicContact CB-CG 3.74Å; L108-F130 HydrophobicContact CD1-CB 4.41Å; L108-F130 HydrophobicContact CD1-CD1 3.79Å; L108-F130 HydrophobicContact CD1-CG 4.47Å; L123-F130 HydrophobicContact CD1-CD1 3.9Å; L123-F130 HydrophobicContact CD1-CE1 3.51Å; L123-F130 HydrophobicContact CD1-CZ 3.99Å; L123-F130 HydrophobicContact CD2-CE1 4.33Å; L123-F130 HydrophobicContact CD2-CE2 4.09Å; L123-F130 HydrophobicContact CD2-CZ 3.98Å; L123-F130 HydrophobicContact CG-CD1 4.31Å; L123-F130 HydrophobicContact CG-CE1 3.59Å; L123-F130 HydrophobicContact CG-CE2 4.12Å; L123-F130 HydrophobicContact CG-CZ 3.5Å; L123-F130 VanDerWaalsContact CG-CZ 3.5Å; L123-F130 WeakPolarHBondContact O-CE1 3.31Å; M124-F130 HydrophobicContact SD-CE2 4.45Å; M124-F130 HydrophobicContact SD-CZ 4.11Å; K126-F130 HydrophobicContact CB-CE1 4.36Å; F130-I133 HydrophobicContact CD2-CG1 3.95Å; F130-I133 HydrophobicContact CE2-CD1 3.8Å; F130-I133 HydrophobicContact CE2-CG1 3.61Å | ||
| 131 | D | 92.4 | Very high | 86.1 | Confident | 73 Ų | 73 | 49.9 Ų | 49.9 | 39% | 0.39 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -112.8 | -24.3 | -174.9 | -52.8 | -54.9 | 0 | 0 | 0 | 111.6 | P43 R70 | P43-D131 WeakPolarHBondContact CD-O 3.34Å; R70-D131 WeakPolarHBondContact CB-OD2 3.35Å; R70-D131 IonicContact CZ-OD1 2.71Å; R70-D131 IonicContact CZ-OD2 3.44Å; R70-D131 PolarHBondContact N-OD2 3.34Å; R70-D131 IonicContact NE-OD1 3.61Å; R70-D131 IonicContact NE-OD2 3.63Å; R70-D131 PolarHBondContact NE-OD2 3.29Å; R70-D131 IonicContact NH2-OD1 2.8Å; R70-D131 PolarHBondContact NH2-OD1 3.34Å; R70-D131 IonicContact NH2-OD2 3.75Å; R70-D131 PolarHBondContact NH2-OD2 3.18Å; R70-D131 PolarHBondContact O-N 3.25Å |
| 132 | D | 93.8 | Very high | 85.9 | Confident | 35 Ų | 35 | 48.5 Ų | 48.5 | 19% | 0.187 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 148.4 | -178.4 | -63.2 | -79.9 | 0 | 0 | 0 | 110.4 | P43 K69 V71 A72 | P43-D132 HydrophobicContact CG-CB 4.41Å; P43-D132 WeakPolarHBondContact CG-OD1 3.46Å; K69-D132 IonicContact NZ-OD2 3.6Å; V71-D132 HydrophobicContact CG1-CB 4.46Å; V71-D132 HydrophobicContact CG2-CB 4.37Å; A72-D132 PolarHBondContact N-O 3.25Å |
| 133 | I | 92.9 | Very high | 86 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 133.1 | 171 | -60 | 174.8 | 0 | 0 | 0 | 109.7 | I42 P43 V44 T45 A72 I74 I120 L123 M124 F130 I160 | I42-I133 HydrophobicContact CG2-CD1 4.21Å; I42-I133 HydrophobicContact CG2-CG1 3.91Å; P43-I133 PolarHBondContact O-N 2.88Å; V44-I133 WeakPolarHBondContact CA-O 3.09Å; V44-I133 HydrophobicContact CB-CB 4.49Å; V44-I133 HydrophobicContact CG1-CB 4.41Å; V44-I133 HydrophobicContact CG1-CG2 4.16Å; V44-I133 HydrophobicContact CG2-CB 4.1Å; V44-I133 HydrophobicContact CG2-CD1 4.18Å; V44-I133 HydrophobicContact CG2-CG2 4.44Å; T45-I133 PolarHBondContact N-O 2.96Å; A72-I133 CarbonylContact O-C 3.54Å; A72-I133 WeakPolarHBondContact O-CA 3.2Å; I74-I133 HydrophobicContact CD1-CG2 4.05Å; I120-I133 HydrophobicContact CG1-CG2 4.48Å; I120-I133 HydrophobicContact CG2-CD1 4.13Å; L123-I133 HydrophobicContact CD2-CD1 3.86Å; L123-I133 HydrophobicContact CD2-CG1 3.87Å; L123-I133 HydrophobicContact CD2-CG2 4.39Å; M124-I133 HydrophobicContact SD-CD1 4.33Å; F130-I133 HydrophobicContact CD2-CG1 3.95Å; F130-I133 HydrophobicContact CE2-CD1 3.8Å; F130-I133 HydrophobicContact CE2-CG1 3.61Å; I133-I160 HydrophobicContact CD1-CG2 4.35Å |
| 134 | L | 93.7 | Very high | 86 | Confident | 14 Ų | 14 | 47.7 Ų | 47.7 | 7% | 0.073 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 114.2 | 175.1 | -158.8 | 63.3 | 0 | 0 | 0 | 109.7 | T45 I47 L59 I62 V71 A72 V73 I74 | T45-L134 HydrophobicContact CG2-CD1 3.75Å; T45-L134 WeakPolarHBondContact O-CA 3.19Å; I47-L134 HydrophobicContact CD1-CD1 3.58Å; I47-L134 HydrophobicContact CD1-CD2 3.54Å; I47-L134 HydrophobicContact CD1-CG 3.64Å; I47-L134 HydrophobicContact CG1-CD1 3.66Å; I47-L134 HydrophobicContact CG1-CD2 4.45Å; I47-L134 HydrophobicContact CG1-CG 4.01Å; L59-L134 HydrophobicContact CD2-CD2 3.42Å; L59-L134 VanDerWaalsContact CD2-CD2 3.42Å; L59-L134 HydrophobicContact CD2-CG 4.15Å; I62-L134 HydrophobicContact CD1-CD2 3.55Å; V71-L134 HydrophobicContact CG1-CB 3.97Å; A72-L134 PolarHBondContact O-N 2.71Å; V73-L134 CarbonylContact C-O 3.5Å; V73-L134 WeakPolarHBondContact CA-O 3.46Å; V73-L134 HydrophobicContact CG2-CB 4.13Å; V73-L134 HydrophobicContact CG2-CD2 4.21Å; I74-L134 PolarHBondContact N-O 2.8Å |
| 135 | L | 91.4 | Very high | 85.8 | Confident | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.016 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 108.8 | 179.3 | 178.8 | 60.7 | 0 | 0 | 0 | 109.6 | V44 T45 I46 I47 I74 V146 F150 | V44-L135 HydrophobicContact CG1-CB 4.48Å; T45-L135 PolarHBondContact O-N 3.46Å; I46-L135 CarbonylContact C-O 3.58Å; I46-L135 WeakPolarHBondContact CA-O 3.23Å; I47-L135 PolarHBondContact N-O 3.45Å; I74-L135 HydrophobicContact CB-CD1 3.82Å; I74-L135 HydrophobicContact CG2-CD1 3.64Å; L135-V146 HydrophobicContact CD2-CG1 3.56Å; L135-F150 HydrophobicContact CD2-CE2 4.43Å; L135-F150 HydrophobicContact CD2-CZ 4.29Å |
| 136 | E | 90.1 | Very high | 85.6 | Confident | 23 Ų | 23 | 41.7 Ų | 41.7 | 11% | 0.107 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 131.5 | 168.4 | -167.4 | -149.4 | 173.8 | 0 | 0 | 109.4 | K55 L59 I74 L75 N76 | K55-E136 HydrophobicContact CD-CG 4.46Å; K55-E136 VanDerWaalsContact CE-OE1 3.28Å; K55-E136 WeakPolarHBondContact CE-OE1 3.37Å; L59-E136 HydrophobicContact CD1-CB 3.88Å; L59-E136 HydrophobicContact CD1-CG 3.82Å; I74-E136 PolarHBondContact O-N 3.37Å; L75-E136 HydrophobicContact CD2-CB 4.3Å; N76-E136 WeakPolarHBondContact CB-O 3.26Å; N76-E136 PolarHBondContact N-O 3.4Å |
| 137 | T | 85.3 | Confident | 85.6 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -100.9 | 148.6 | 165.6 | 56 | 0 | 0 | 0 | 0 | 110.2 | I46 I47 T48 V146 | I46-T137 HydrophobicContact CG2-CG2 3.67Å; I47-T137 PolarHBondContact O-N 3.37Å; I47-T137 PolarHBondContact O-OG1 3.43Å; T48-T137 WeakPolarHBondContact CA-OG1 3.35Å; T48-T137 WeakPolarHBondContact CB-OG1 3.47Å; T48-T137 PolarHBondContact OG1-OG1 3.46Å; T137-V146 HydrophobicContact CG2-CB 4.41Å; T137-V146 HydrophobicContact CG2-CG1 4.35Å; T137-V146 HydrophobicContact CG2-CG2 4.01Å |
| 138 | T | 77.2 | Confident | 85.4 | Confident | 45 Ų | 45 | 38 Ų | 38 | 28% | 0.276 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -59.7 | 153.1 | 174.1 | 70.9 | 0 | 0 | 0 | 0 | 110 | N76 L140 A141 | N76-T138 WeakPolarHBondContact O-CG2 3.31Å; T138-L140 PolarHBondContact O-N 3.35Å; T138-A141 PolarHBondContact O-N 3.3Å; T138-A141 WeakPolarHBondContact OG1-CB 3.25Å; T138-A141 PolarHBondContact OG1-N 3.19Å |
| 139 | G | 73 | Confident | 85 | Confident | 10 Ų | 10 | 38.7 Ų | 38.7 | 10% | 0.103 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | 4.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116 | G49 W180 | G49-G139 WeakPolarHBondContact O-CA 3.18Å; G139-W180 PolarHBondContact O-NE1 2.63Å |
| 140 | L | 72.2 | Confident | 84.3 | Confident | 147 Ų | 147 | 34.5 Ų | 34.5 | 77% | 0.77 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -123.1 | -5.2 | 174.8 | -61 | 176 | 0 | 0 | 0 | 112.5 | Y50 T138 | Y50-L140 HydrophobicContact CE2-CD2 4.27Å; T138-L140 PolarHBondContact O-N 3.35Å |
| 141 | A | 77.4 | Confident | 83.3 | Confident | 24 Ų | 24 | 43.8 Ų | 43.8 | 20% | 0.198 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -74.3 | 141.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | T138 P143 | T138-A141 PolarHBondContact O-N 3.3Å; T138-A141 WeakPolarHBondContact OG1-CB 3.25Å; T138-A141 PolarHBondContact OG1-N 3.19Å; A141-P143 WeakPolarHBondContact O-CD 3.06Å |
| 142 | D | 81.8 | Confident | 81.7 | Confident | 88 Ų | 88 | 44.8 Ų | 44.8 | 47% | 0.471 | 26% | 0.255 | S | S | . | . | trans | -74.8 | 112 | 170.5 | 175.3 | -0.3 | 0 | 0 | 0 | 109 | G144 A145 V146 | D142-G144 PolarHBondContact O-N 3.42Å; D142-G144 WeakPolarHBondContact OD1-CA 3.26Å; D142-G144 PolarHBondContact OD1-N 3.18Å; D142-A145 HydrophobicContact CB-CB 4.11Å; D142-A145 PolarHBondContact O-N 3.01Å; D142-A145 PolarHBondContact OD1-N 3.24Å; D142-V146 PolarHBondContact O-N 3.24Å | ||
| 143 | P | 84 | Confident | 80.2 | Confident | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.013 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.3 | -24.9 | 179.3 | 31.1 | -35.8 | 0 | 0 | 0 | 112 | I46 T48 A141 V146 A147 I165 T182 | I46-P143 HydrophobicContact CG2-CB 4.47Å; T48-P143 HydrophobicContact CG2-CB 4.22Å; T48-P143 HydrophobicContact CG2-CG 4.23Å; A141-P143 WeakPolarHBondContact O-CD 3.06Å; P143-V146 PolarHBondContact O-N 2.68Å; P143-A147 VanDerWaalsContact O-CB 3.24Å; P143-A147 WeakPolarHBondContact O-CB 3.28Å; P143-A147 PolarHBondContact O-N 3Å; P143-I165 HydrophobicContact CB-CD1 4.4Å; P143-I165 HydrophobicContact CB-CG2 3.93Å; P143-T182 VanDerWaalsContact CG-OXT 3.31Å; P143-T182 WeakPolarHBondContact CG-OXT 3.25Å |
| 144 | G | 85.4 | Confident | 78.5 | Confident | 36 Ų | 36 | 47.8 Ų | 47.8 | 37% | 0.371 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.9 | -41.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | D142 V146 A147 S148 | D142-G144 PolarHBondContact O-N 3.42Å; D142-G144 WeakPolarHBondContact OD1-CA 3.26Å; D142-G144 PolarHBondContact OD1-N 3.18Å; G144-V146 VanDerWaalsContact C-N 3.31Å; G144-V146 PolarHBondContact O-N 3.03Å; G144-A147 PolarHBondContact O-N 3.47Å; G144-S148 WeakPolarHBondContact O-CB 3.01Å; G144-S148 PolarHBondContact O-N 3.09Å |
| 145 | A | 83 | Confident | 76.4 | Confident | 45 Ų | 45 | 54.9 Ų | 54.9 | 37% | 0.372 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.6 | -40.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | D142 S148 | D142-A145 HydrophobicContact CB-CB 4.11Å; D142-A145 PolarHBondContact O-N 3.01Å; D142-A145 PolarHBondContact OD1-N 3.24Å; A145-S148 PolarHBondContact O-OG 3.3Å |
| 146 | V | 82 | Confident | 74.3 | Confident | 21 Ų | 21 | 61.1 Ų | 61.1 | 13% | 0.127 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -70.1 | -44.1 | 176.3 | 179.9 | 0 | 0 | 0 | 0 | 111.1 | I46 L135 T137 D142 P143 G144 S148 M149 F150 | I46-V146 HydrophobicContact CD1-CB 4.23Å; I46-V146 HydrophobicContact CD1-CG1 3.8Å; I46-V146 HydrophobicContact CG1-CG1 4.47Å; L135-V146 HydrophobicContact CD2-CG1 3.56Å; T137-V146 HydrophobicContact CG2-CB 4.41Å; T137-V146 HydrophobicContact CG2-CG1 4.35Å; T137-V146 HydrophobicContact CG2-CG2 4.01Å; D142-V146 PolarHBondContact O-N 3.24Å; P143-V146 PolarHBondContact O-N 2.68Å; G144-V146 VanDerWaalsContact C-N 3.31Å; G144-V146 PolarHBondContact O-N 3.03Å; V146-S148 VanDerWaalsContact C-N 3.31Å; V146-S148 PolarHBondContact O-N 3.01Å; V146-M149 WeakPolarHBondContact O-CB 3.3Å; V146-M149 PolarHBondContact O-N 3.09Å; V146-F150 HydrophobicContact CG1-CE2 4.23Å; V146-F150 WeakPolarHBondContact O-CD2 3.45Å |
| 147 | A | 86.2 | Confident | 72.7 | Confident | 15 Ų | 15 | 62.9 Ų | 62.9 | 12% | 0.124 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.1 | -38.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | I46 P143 G144 M149 F150 L162 I165 | I46-A147 HydrophobicContact CD1-CB 4.19Å; P143-A147 VanDerWaalsContact O-CB 3.24Å; P143-A147 WeakPolarHBondContact O-CB 3.28Å; P143-A147 PolarHBondContact O-N 3Å; G144-A147 PolarHBondContact O-N 3.47Å; A147-M149 PolarHBondContact O-N 3.23Å; A147-M149 VanDerWaalsContact O-N 3.15Å; A147-F150 PolarHBondContact O-N 2.74Å; A147-F150 VanDerWaalsContact O-N 3.08Å; A147-L162 HydrophobicContact CB-CD2 3.64Å; A147-I165 HydrophobicContact CB-CD1 3.9Å |
| 148 | S | 83.3 | Confident | 71.9 | Confident | 65 Ų | 65 | 63.7 Ų | 63.7 | 46% | 0.455 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58.6 | -28.5 | 179.5 | 75.9 | 0 | 0 | 0 | 0 | 113.3 | G144 A145 V146 F150 W151 V152 | G144-S148 WeakPolarHBondContact O-CB 3.01Å; G144-S148 PolarHBondContact O-N 3.09Å; A145-S148 PolarHBondContact O-OG 3.3Å; V146-S148 VanDerWaalsContact C-N 3.31Å; V146-S148 PolarHBondContact O-N 3.01Å; S148-F150 VanDerWaalsContact C-N 3.31Å; S148-F150 PolarHBondContact O-N 3.33Å; S148-W151 WeakPolarHBondContact O-CB 2.94Å; S148-W151 PolarHBondContact O-N 3.28Å; S148-V152 PolarHBondContact O-N 2.78Å |
| 149 | M | 77.4 | Confident | 72.2 | Confident | 63 Ų | 63 | 65.4 Ų | 65.4 | 31% | 0.31 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.9 | -36.4 | 178.4 | -59.3 | 178.2 | -169.5 | 0 | 0 | 112.1 | L117 V146 A147 W151 D153 | L117-M149 HydrophobicContact CD1-CB 3.74Å; L117-M149 HydrophobicContact CD1-CG 3.96Å; L117-M149 HydrophobicContact CD1-SD 3.62Å; L117-M149 HydrophobicContact CD2-CB 3.83Å; L117-M149 HydrophobicContact CD2-SD 4.4Å; L117-M149 HydrophobicContact CG-CB 4.02Å; L117-M149 HydrophobicContact CG-CG 4.38Å; L117-M149 HydrophobicContact CG-SD 3.69Å; V146-M149 WeakPolarHBondContact O-CB 3.3Å; V146-M149 PolarHBondContact O-N 3.09Å; A147-M149 PolarHBondContact O-N 3.23Å; A147-M149 VanDerWaalsContact O-N 3.15Å; M149-W151 VanDerWaalsContact C-N 3.31Å; M149-D153 PolarHBondContact O-N 3.27Å |
| 150 | F | 76.9 | Confident | 72.9 | Confident | 10 Ų | 10 | 65.3 Ų | 65.3 | 4% | 0.044 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -73.3 | -25.7 | 177.9 | -62.6 | -82.1 | 0 | 0 | 0 | 112.4 | V44 I46 I120 L135 V146 A147 S148 A154 I160 L162 | V44-F150 HydrophobicContact CB-CE1 4.1Å; V44-F150 HydrophobicContact CB-CZ 4.37Å; V44-F150 HydrophobicContact CG1-CE1 3.89Å; V44-F150 HydrophobicContact CG1-CE2 4.43Å; V44-F150 HydrophobicContact CG1-CZ 3.69Å; V44-F150 HydrophobicContact CG2-CD1 4.45Å; V44-F150 HydrophobicContact CG2-CE1 3.88Å; I46-F150 HydrophobicContact CD1-CE2 4.24Å; I120-F150 HydrophobicContact CD1-CE1 3.66Å; I120-F150 HydrophobicContact CD1-CZ 3.51Å; L135-F150 HydrophobicContact CD2-CE2 4.43Å; L135-F150 HydrophobicContact CD2-CZ 4.29Å; V146-F150 HydrophobicContact CG1-CE2 4.23Å; V146-F150 WeakPolarHBondContact O-CD2 3.45Å; A147-F150 PolarHBondContact O-N 2.74Å; A147-F150 VanDerWaalsContact O-N 3.08Å; S148-F150 VanDerWaalsContact C-N 3.31Å; S148-F150 PolarHBondContact O-N 3.33Å; F150-A154 PolarHBondContact O-N 2.87Å; F150-I160 HydrophobicContact CD1-CD1 4.03Å; F150-I160 HydrophobicContact CE1-CD1 3.89Å; F150-L162 HydrophobicContact CB-CB 4.01Å; F150-L162 HydrophobicContact CD2-CD1 4.31Å; F150-L162 HydrophobicContact CG-CB 4.28Å |
| 151 | W | 68.9 | Low | 73.6 | Confident | 199 Ų | 199 | 63 Ų | 63 | 75% | 0.754 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -68.8 | -43.3 | 175.1 | -167.9 | -82.1 | 0 | 0 | 0 | 111.8 | S148 M149 D153 A154 | S148-W151 WeakPolarHBondContact O-CB 2.94Å; S148-W151 PolarHBondContact O-N 3.28Å; M149-W151 VanDerWaalsContact C-N 3.31Å; W151-D153 VanDerWaalsContact C-N 3.26Å; W151-D153 PolarHBondContact O-N 3.45Å; W151-A154 PolarHBondContact O-N 2.94Å |
| 152 | V | 60.3 | Low | 74.2 | Confident | 93 Ų | 93 | 64.6 Ų | 64.6 | 56% | 0.564 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -64.3 | -33.8 | 177.5 | 179.6 | 0 | 0 | 0 | 0 | 111.2 | S148 | S148-V152 PolarHBondContact O-N 2.78Å |
| 153 | D | 62.1 | Low | 74.8 | Confident | 44 Ų | 44 | 65 Ų | 65 | 24% | 0.235 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -81.4 | -22.3 | 179.8 | -158 | 3.5 | 0 | 0 | 0 | 113.4 | M149 W151 E155 L156 G157 S158 | M149-D153 PolarHBondContact O-N 3.27Å; W151-D153 VanDerWaalsContact C-N 3.26Å; W151-D153 PolarHBondContact O-N 3.45Å; D153-E155 VanDerWaalsContact C-N 3.25Å; D153-E155 PolarHBondContact O-N 2.89Å; D153-L156 WeakPolarHBondContact O-CA 3.45Å; D153-L156 WeakPolarHBondContact O-CB 3.17Å; D153-L156 PolarHBondContact O-N 3.1Å; D153-G157 PolarHBondContact O-N 3.08Å; D153-S158 PolarHBondContact O-OG 3.07Å; D153-S158 WeakPolarHBondContact OD1-CB 3.24Å |
| 154 | A | 55.8 | Low | 75.2 | Confident | 56 Ų | 56 | 66 Ų | 66 | 46% | 0.463 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.9 | -31.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F150 W151 L156 | F150-A154 PolarHBondContact O-N 2.87Å; W151-A154 PolarHBondContact O-N 2.94Å; A154-L156 PolarHBondContact O-N 3.33Å |
| 155 | E | 51.6 | Low | 75.6 | Confident | 164 Ų | 164 | 67.8 Ų | 67.8 | 77% | 0.766 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -16.2 | 172.4 | -75.3 | 174.8 | 157.4 | 0 | 0 | 112.8 | D153 | D153-E155 VanDerWaalsContact C-N 3.25Å; D153-E155 PolarHBondContact O-N 2.89Å |
| 156 | L | 46.7 | Very low | 76.1 | Confident | 133 Ų | 133 | 69.8 Ų | 69.8 | 70% | 0.696 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -0.8 | -179.8 | -80.1 | 145.4 | 0 | 0 | 0 | 114 | D153 A154 | D153-L156 WeakPolarHBondContact O-CA 3.45Å; D153-L156 WeakPolarHBondContact O-CB 3.17Å; D153-L156 PolarHBondContact O-N 3.1Å; A154-L156 PolarHBondContact O-N 3.33Å |
| 157 | G | 55.8 | Low | 76.6 | Confident | 60 Ų | 60 | 71.5 Ų | 71.5 | 62% | 0.619 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.1 | 35 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | D153 | D153-G157 PolarHBondContact O-N 3.08Š|
| 158 | S | 68.4 | Low | 76.9 | Confident | 17 Ų | 17 | 72.3 Ų | 72.3 | 12% | 0.119 | 39% | 0.394 | C | S | . | . | trans | -63.1 | 143.6 | -179.1 | 62.1 | 0 | 0 | 0 | 0 | 113.4 | K41 D153 I160 | K41-S158 VanDerWaalsContact CE-O 3.23Å; K41-S158 WeakPolarHBondContact CE-O 3.06Å; K41-S158 PolarHBondContact NZ-O 2.98Å; K41-S158 VanDerWaalsContact NZ-O 3.15Å; D153-S158 PolarHBondContact O-OG 3.07Å; D153-S158 WeakPolarHBondContact OD1-CB 3.24Å; S158-I160 PolarHBondContact O-N 3.09Å; S158-I160 VanDerWaalsContact O-N 3.12Å; S158-I160 PolarHBondContact OG-O 3.21Å | ||
| 159 | D | 84.1 | Confident | 77.3 | Confident | 81 Ų | 81 | 73.3 Ų | 73.3 | 43% | 0.433 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -71.8 | 8.8 | 175.6 | -92.2 | -32.4 | 0 | 0 | 0 | 113.1 | K41 I42 M124 K127 | K41-D159 CarbonylContact C-O 3.57Å; K41-D159 VanDerWaalsContact CA-O 3.25Å; K41-D159 WeakPolarHBondContact CA-O 3.48Å; I42-D159 PolarHBondContact N-O 3.46Å; M124-D159 HydrophobicContact CE-CB 3.45Å; M124-D159 VanDerWaalsContact CE-CB 3.45Å; K127-D159 IonicContact NZ-OD1 2.84Å; K127-D159 PolarHBondContact NZ-OD1 2.84Å; K127-D159 IonicContact NZ-OD2 2.84Å; K127-D159 PolarHBondContact NZ-OD2 3.47Å |
| 160 | I | 86.8 | Confident | 77.8 | Confident | 8 Ų | 8 | 72.8 Ų | 72.8 | 4% | 0.041 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 163.8 | -177.5 | 67.8 | 180 | 0 | 0 | 0 | 110.1 | I42 V44 I120 M124 I133 F150 S158 | I42-I160 HydrophobicContact CB-CG2 4.22Å; I42-I160 CarbonylContact O-C 3.55Å; I42-I160 WeakPolarHBondContact O-CA 3.41Å; V44-I160 HydrophobicContact CG2-CB 4.06Å; V44-I160 HydrophobicContact CG2-CD1 4.25Å; I120-I160 HydrophobicContact CG2-CD1 3.53Å; M124-I160 HydrophobicContact CE-CG2 3.79Å; M124-I160 HydrophobicContact CG-CG2 4.21Å; M124-I160 HydrophobicContact SD-CG2 3.45Å; M124-I160 WeakPolarHBondContact SD-CG2 3.25Å; I133-I160 HydrophobicContact CD1-CG2 4.35Å; F150-I160 HydrophobicContact CD1-CD1 4.03Å; F150-I160 HydrophobicContact CE1-CD1 3.89Å; S158-I160 PolarHBondContact O-N 3.09Å; S158-I160 VanDerWaalsContact O-N 3.12Å; S158-I160 PolarHBondContact OG-O 3.21Å |
| 161 | Y | 88.2 | Confident | 78.5 | Confident | 100 Ų | 100 | 78.1 Ų | 78.1 | 39% | 0.392 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 152.7 | 169.7 | 69.4 | -76 | 0 | 0 | 0 | 110.5 | K41 I42 P43 V44 D163 | K41-Y161 HydrophobicContact CB-CD1 3.6Å; K41-Y161 HydrophobicContact CB-CE1 4.18Å; I42-Y161 PolarHBondContact O-N 2.89Å; P43-Y161 CarbonylContact C-O 3.57Å; P43-Y161 HydrophobicContact CB-CE1 3.82Å; P43-Y161 HydrophobicContact CB-CE2 4.35Å; V44-Y161 PolarHBondContact N-O 3.46Å; Y161-D163 HydrophobicContact CE2-CB 4.03Å; Y161-D163 PolarHBondContact O-N 3.03Å |
| 162 | L | 90.3 | Very high | 79.4 | Confident | 57 Ų | 57 | 75.4 Ų | 75.4 | 30% | 0.298 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 114 | 170.9 | -178 | 68.2 | 0 | 0 | 0 | 108.8 | I46 A147 F150 | I46-L162 HydrophobicContact CD1-CD1 3.66Å; I46-L162 HydrophobicContact CG1-CD1 3.86Å; A147-L162 HydrophobicContact CB-CD2 3.64Å; F150-L162 HydrophobicContact CB-CB 4.01Å; F150-L162 HydrophobicContact CD2-CD1 4.31Å; F150-L162 HydrophobicContact CG-CB 4.28Å |
| 163 | D | 92.9 | Very high | 80.5 | Confident | 96 Ų | 96 | 76.3 Ų | 76.3 | 51% | 0.513 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | -46.5 | 177.4 | -179.4 | 55.5 | 0 | 0 | 0 | 111 | P43 V44 T45 Y161 | P43-D163 HydrophobicContact CB-CB 3.69Å; V44-D163 PolarHBondContact O-N 3.19Å; T45-D163 PolarHBondContact OG1-OD2 3.4Å; Y161-D163 HydrophobicContact CE2-CB 4.03Å; Y161-D163 PolarHBondContact O-N 3.03Å |
| 164 | G | 93 | Very high | 81.3 | Confident | 24 Ų | 24 | 75.5 Ų | 75.5 | 25% | 0.247 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.9 | 170.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115 | T45 I46 | T45-G164 WeakPolarHBondContact CA-O 3.47Å; I46-G164 PolarHBondContact N-O 2.87Å |
| 165 | I | 93.3 | Very high | 82.4 | Confident | 72 Ų | 72 | 80.5 Ų | 80.5 | 37% | 0.369 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 116.2 | 172.6 | -55.7 | 172.6 | 0 | 0 | 0 | 107.4 | I46 T48 P143 A147 | I46-I165 HydrophobicContact CB-CG1 4.19Å; I46-I165 HydrophobicContact CB-CG2 4.39Å; I46-I165 HydrophobicContact CD1-CG1 4.25Å; I46-I165 HydrophobicContact CG2-CG2 4.29Å; I46-I165 CarbonylContact O-C 3.54Å; I46-I165 WeakPolarHBondContact O-CA 3.27Å; T48-I165 HydrophobicContact CG2-CG2 4.03Å; P143-I165 HydrophobicContact CB-CD1 4.4Å; P143-I165 HydrophobicContact CB-CG2 3.93Å; A147-I165 HydrophobicContact CB-CD1 3.9Å |
| 166 | I | 94.8 | Very high | 83.4 | Confident | 87 Ų | 87 | 79.8 Ų | 79.8 | 45% | 0.446 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 120.7 | 177.9 | -60.9 | 179.7 | 0 | 0 | 0 | 109 | T45 I46 I47 T48 | T45-I166 HydrophobicContact CG2-CD1 3.61Å; T45-I166 HydrophobicContact CG2-CG1 3.82Å; I46-I166 PolarHBondContact O-N 3.02Å; I47-I166 WeakPolarHBondContact CA-O 3.49Å; I47-I166 HydrophobicContact CG1-CB 4.47Å; T48-I166 PolarHBondContact N-O 3.44Å |
| 167 | T | 92.3 | Very high | 84.4 | Confident | 57 Ų | 57 | 74.2 Ų | 74.2 | 35% | 0.35 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 110.2 | -176.5 | -62.1 | 0 | 0 | 0 | 0 | 109.4 | T48 V169 W180 T182 | T48-T167 HydrophobicContact CG2-CG2 4.27Å; T48-T167 WeakPolarHBondContact CG2-OG1 3.43Å; T167-V169 HydrophobicContact CG2-CG2 4.04Å; T167-W180 HydrophobicContact CG2-CH2 3.28Å; T167-W180 HydrophobicContact CG2-CZ2 4.22Å; T167-W180 HydrophobicContact CG2-CZ3 3.87Å; T167-T182 HydrophobicContact CG2-CG2 3.85Å |
| 168 | I | 91.9 | Very high | 84.5 | Confident | 32 Ų | 32 | 79.9 Ų | 79.9 | 16% | 0.164 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 126.4 | 176.7 | -48.3 | -175 | 0 | 0 | 0 | 109.5 | I47 T48 G49 A53 K55 L58 | I47-I168 HydrophobicContact CG2-CD1 3.92Å; I47-I168 HydrophobicContact CG2-CG1 4.23Å; T48-I168 PolarHBondContact O-N 3.03Å; G49-I168 VanDerWaalsContact CA-O 3.26Å; G49-I168 WeakPolarHBondContact CA-O 3.45Å; A53-I168 HydrophobicContact CB-CB 4.36Å; A53-I168 HydrophobicContact CB-CG2 4.21Å; A53-I168 VanDerWaalsContact CB-O 3.31Å; A53-I168 WeakPolarHBondContact CB-O 3.08Å; A53-I168 WeakPolarHBondContact O-CG2 3.32Å; K55-I168 HydrophobicContact CB-CD1 4.27Å; K55-I168 HydrophobicContact CG-CB 4.41Å; K55-I168 HydrophobicContact CG-CD1 3.92Å; K55-I168 HydrophobicContact CG-CG1 4.4Å; L58-I168 HydrophobicContact CB-CD1 4.16Å; L58-I168 HydrophobicContact CD2-CD1 3.57Å; L58-I168 HydrophobicContact CD2-CG1 4.49Å |
| 169 | V | 90.9 | Very high | 84.2 | Confident | 86 Ų | 86 | 86.7 Ų | 86.7 | 52% | 0.521 | 45% | 0.452 | S | S | . | . | trans | -122.7 | 125.4 | -177.7 | -175.6 | 0 | 0 | 0 | 0 | 109.8 | T167 S171 W180 | T167-V169 HydrophobicContact CG2-CG2 4.04Å; V169-S171 PolarHBondContact O-N 2.99Å; V169-W180 HydrophobicContact CG2-CZ3 4.42Å | ||
| 170 | D | 89.4 | Confident | 83.1 | Confident | 52 Ų | 52 | 85 Ų | 85 | 28% | 0.278 | 44% | 0.44 | S | S | . | . | trans | -74.1 | 118.5 | 167 | -179 | -51.3 | 0 | 0 | 0 | 108.9 | K172 Y173 G174 | D170-K172 VanDerWaalsContact C-N 3.27Å; D170-K172 PolarHBondContact O-N 2.82Å; D170-K172 WeakPolarHBondContact OD1-CA 3.33Å; D170-K172 VanDerWaalsContact OD1-CB 3.26Å; D170-K172 WeakPolarHBondContact OD1-CB 3.36Å; D170-K172 PolarHBondContact OD1-N 3.27Å; D170-Y173 PolarHBondContact O-N 2.86Å; D170-Y173 WeakPolarHBondContact OD1-CD2 3.39Å; D170-Y173 PolarHBondContact OD1-N 3.22Å; D170-Y173 WeakPolarHBondContact OD2-CD2 3.19Å; D170-G174 WeakPolarHBondContact O-CA 3.04Å; D170-G174 PolarHBondContact O-N 2.97Å | ||
| 171 | S | 89.9 | Confident | 81.6 | Confident | 122 Ų | 122 | 90.4 Ų | 90.4 | 85% | 0.853 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -26.4 | -176.7 | 57.7 | 0 | 0 | 0 | 0 | 114 | V169 | V169-S171 PolarHBondContact O-N 2.99Š|
| 172 | K | 88.1 | Confident | 79.9 | Confident | 143 Ų | 143 | 90.9 Ų | 90.9 | 62% | 0.622 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -34.4 | 178.6 | -177.7 | 178.4 | 178.6 | -177.4 | 0 | 111.9 | D170 | D170-K172 VanDerWaalsContact C-N 3.27Å; D170-K172 PolarHBondContact O-N 2.82Å; D170-K172 WeakPolarHBondContact OD1-CA 3.33Å; D170-K172 VanDerWaalsContact OD1-CB 3.26Å; D170-K172 WeakPolarHBondContact OD1-CB 3.36Å; D170-K172 PolarHBondContact OD1-N 3.27Å |
| 173 | Y | 84.7 | Confident | 79.4 | Confident | 112 Ų | 112 | 92.6 Ų | 92.6 | 44% | 0.439 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.4 | -8.1 | -174.2 | -56.3 | -68.1 | 0 | 0 | 0 | 114.7 | D170 L175 K176 A177 | D170-Y173 PolarHBondContact O-N 2.86Å; D170-Y173 WeakPolarHBondContact OD1-CD2 3.39Å; D170-Y173 PolarHBondContact OD1-N 3.22Å; D170-Y173 WeakPolarHBondContact OD2-CD2 3.19Å; Y173-L175 PolarHBondContact O-N 3.01Å; Y173-K176 HydrophobicContact CD1-CD 4.27Å; Y173-K176 WeakPolarHBondContact O-CA 3.22Å; Y173-K176 WeakPolarHBondContact O-CB 3.13Å; Y173-K176 PolarHBondContact O-N 3.42Å; Y173-A177 PolarHBondContact O-N 3.38Å |
| 174 | G | 79 | Confident | 78.7 | Confident | 27 Ų | 27 | 92.4 Ų | 92.4 | 28% | 0.278 | 50% | 0.495 | S | S | . | . | G | 310 helix | trans | -58 | -43.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D170 K176 A177 | D170-G174 WeakPolarHBondContact O-CA 3.04Å; D170-G174 PolarHBondContact O-N 2.97Å; G174-K176 PolarHBondContact O-N 2.88Å; G174-A177 WeakPolarHBondContact O-CB 3.48Å; G174-A177 PolarHBondContact O-N 3.05Å |
| 175 | L | 77.6 | Confident | 77.9 | Confident | 161 Ų | 161 | 96.2 Ų | 96.2 | 84% | 0.843 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -70 | -14.5 | 176 | -63.4 | 174.7 | 0 | 0 | 0 | 113.8 | Y173 K178 | Y173-L175 PolarHBondContact O-N 3.01Å; L175-K178 WeakPolarHBondContact O-CG 3.18Å |
| 176 | K | 73.6 | Confident | 77 | Confident | 148 Ų | 148 | 97.6 Ų | 97.6 | 64% | 0.643 | 52% | 0.517 | S | S | * | . | G | 310 helix | trans | -90.2 | -14.4 | 176.3 | -60.5 | -179.7 | -174.9 | 171.9 | 0 | 112.3 | Y173 G174 K178 | Y173-K176 HydrophobicContact CD1-CD 4.27Å; Y173-K176 WeakPolarHBondContact O-CA 3.22Å; Y173-K176 WeakPolarHBondContact O-CB 3.13Å; Y173-K176 PolarHBondContact O-N 3.42Å; G174-K176 PolarHBondContact O-N 2.88Å; K176-K178 PolarHBondContact O-N 3.03Å |
| 177 | A | 67.8 | Low | 75.9 | Confident | 16 Ų | 16 | 98.3 Ų | 98.3 | 13% | 0.132 | 52% | 0.522 | C | S | . | . | trans | -74.3 | 52 | 172 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y50 Y173 G174 N179 W180 | Y50-A177 HydrophobicContact CD1-CB 4.26Å; Y50-A177 HydrophobicContact CD2-CB 4.36Å; Y50-A177 HydrophobicContact CG-CB 4.11Å; Y173-A177 PolarHBondContact O-N 3.38Å; G174-A177 WeakPolarHBondContact O-CB 3.48Å; G174-A177 PolarHBondContact O-N 3.05Å; A177-N179 PolarHBondContact O-N 3.01Å; A177-W180 HydrophobicContact CB-CB 4.05Å; A177-W180 PolarHBondContact O-N 3.17Å | ||
| 178 | K | 58.3 | Low | 74.8 | Confident | 180 Ų | 180 | 101 Ų | 101 | 78% | 0.783 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -10.1 | -169.6 | -67.3 | -169.9 | 174.7 | -173 | 0 | 115.1 | L175 K176 | L175-K178 WeakPolarHBondContact O-CG 3.18Å; K176-K178 PolarHBondContact O-N 3.03Å |
| 179 | N | 60.9 | Low | 73.6 | Confident | 159 Ų | 159 | 105.9 Ų | 105.9 | 85% | 0.85 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.7 | 12 | 179.3 | -62.5 | -18.7 | 0 | 0 | 0 | 112.4 | A177 | A177-N179 PolarHBondContact O-N 3.01Š|
| 180 | W | 61.9 | Low | 72.3 | Confident | 47 Ų | 47 | 107.5 Ų | 107.5 | 18% | 0.178 | 56% | 0.562 | C | S | . | * | trans | -91.9 | 106.5 | 173.1 | -176.9 | 55.3 | 0 | 0 | 0 | 108.6 | T48 G49 Y50 G139 T167 V169 A177 T182 | T48-W180 HydrophobicContact CG2-CZ2 4.31Å; G49-W180 VanDerWaalsContact CA-CH2 3.44Å; Y50-W180 HydrophobicContact CD2-CB 3.98Å; Y50-W180 AromaticContact CD2-CG 3.99Å; Y50-W180 HydrophobicContact CD2-CG 3.99Å; G139-W180 PolarHBondContact O-NE1 2.63Å; T167-W180 HydrophobicContact CG2-CH2 3.28Å; T167-W180 HydrophobicContact CG2-CZ2 4.22Å; T167-W180 HydrophobicContact CG2-CZ3 3.87Å; V169-W180 HydrophobicContact CG2-CZ3 4.42Å; A177-W180 HydrophobicContact CB-CB 4.05Å; A177-W180 PolarHBondContact O-N 3.17Å; W180-T182 HydrophobicContact CE3-CG2 4.45Å; W180-T182 HydrophobicContact CH2-CG2 3.93Å; W180-T182 HydrophobicContact CZ2-CG2 4.06Å; W180-T182 HydrophobicContact CZ3-CG2 4.09Å | ||
| 181 | T | 55.7 | Low | 70.8 | Confident | 120 Ų | 120 | 112.1 Ų | 112.1 | 74% | 0.736 | 59% | 0.586 | S | S | * | * | trans | -91.4 | 120.2 | 172.1 | 30.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 182 | T | 52.6 | Low | 69.1 | Low | 110 Ų | 110 | 111.2 Ų | 111.2 | 68% | 0.675 | 56% | 0.562 | S | S | * | * | trans | -77.5 | 0 | 160.6 | 50.6 | 0 | 0 | 0 | 0 | 110.9 | P143 T167 W180 | P143-T182 VanDerWaalsContact CG-OXT 3.31Å; P143-T182 WeakPolarHBondContact CG-OXT 3.25Å; T167-T182 HydrophobicContact CG2-CG2 3.85Å; W180-T182 HydrophobicContact CE3-CG2 4.45Å; W180-T182 HydrophobicContact CH2-CG2 3.93Å; W180-T182 HydrophobicContact CZ2-CG2 4.06Å; W180-T182 HydrophobicContact CZ3-CG2 4.09Å |
Retrieved 182 of 182 residues in 53.7 ms
(Link to these results)