| 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 | 47.7 | Very low | 55.2 | Low | 214 Ų | 214 | 157.6 Ų | 157.6 | 100% | 1.054 | 81% | 0.808 | S | S | * | * | 0 | 76.9 | 0 | 179.5 | 155.4 | -94.2 | 0 | 0 | 104.3 | |||||
| 2 | E | 47.1 | Very low | 55.4 | Low | 179 Ų | 179 | 157.2 Ų | 157.2 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | trans | -99 | 101.6 | -178.5 | -81 | 88.6 | 164.3 | 0 | 0 | 107.1 | ||||
| 3 | D | 52.8 | Low | 55.8 | Low | 150 Ų | 150 | 163.8 Ų | 163.8 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | trans | -64.8 | 133.8 | 177.7 | -85.5 | -81 | 0 | 0 | 0 | 111.9 | Y5 | D3-Y5 PolarHBondContact O-N 3.05Š| ||
| 4 | M | 57.1 | Low | 56.3 | Low | 164 Ų | 164 | 155.9 Ų | 155.9 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | trans | -73.5 | 103.8 | -171.9 | -157.4 | 165.2 | 65 | 0 | 0 | 109.5 | V6 | M4-V6 HydrophobicContact CE-CG2 4.09Å; M4-V6 HydrophobicContact CG-CG2 3.87Å; M4-V6 PolarHBondContact O-N 3.27Å | ||
| 5 | Y | 56.7 | Low | 57.1 | Low | 229 Ų | 229 | 163.2 Ų | 163.2 | 90% | 0.898 | 81% | 0.805 | S | S | * | * | trans | -76.3 | 75.9 | 176.3 | -151.6 | -95.9 | 0 | 0 | 0 | 110.4 | D3 K7 | D3-Y5 PolarHBondContact O-N 3.05Å; Y5-K7 PolarHBondContact O-N 3.45Å | ||
| 6 | V | 59.8 | Low | 57 | Low | 105 Ų | 105 | 162.8 Ų | 162.8 | 64% | 0.636 | 81% | 0.806 | S | S | * | * | trans | -82.1 | 108.7 | 170.1 | -175.2 | 0 | 0 | 0 | 0 | 107.9 | M4 | M4-V6 HydrophobicContact CE-CG2 4.09Å; M4-V6 HydrophobicContact CG-CG2 3.87Å; M4-V6 PolarHBondContact O-N 3.27Å | ||
| 7 | K | 60.4 | Low | 57.7 | Low | 175 Ų | 175 | 160.1 Ų | 160.1 | 76% | 0.761 | 80% | 0.796 | S | S | * | * | trans | -51.9 | 127.6 | 173 | -144.6 | 166.5 | 178.6 | 170.2 | 0 | 109.2 | Y5 G9 | Y5-K7 PolarHBondContact O-N 3.45Å; K7-G9 PolarHBondContact O-N 3.48Å | ||
| 8 | P | 54.9 | Low | 58.1 | Low | 124 Ų | 124 | 156.3 Ų | 156.3 | 81% | 0.805 | 79% | 0.785 | S | S | * | * | trans | -61.4 | 114.5 | 179 | -18.4 | 29.7 | 0 | 0 | 0 | 109.4 | ||||
| 9 | G | 55.9 | Low | 58.4 | Low | 63 Ų | 63 | 153.4 Ų | 153.4 | 65% | 0.649 | 78% | 0.778 | S | S | * | * | trans | -60.1 | 135.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | K7 Q11 | K7-G9 PolarHBondContact O-N 3.48Å; G9-Q11 PolarHBondContact O-N 3.18Å; G9-Q11 VanDerWaalsContact O-N 3.07Å | ||
| 10 | N | 57.3 | Low | 58.7 | Low | 135 Ų | 135 | 154 Ų | 154 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | trans | -49.1 | 107.7 | 174.3 | -175.2 | 49.4 | 0 | 0 | 0 | 111 | E12 | N10-E12 PolarHBondContact O-N 2.73Š| ||
| 11 | Q | 57.7 | Low | 58.4 | Low | 196 Ų | 196 | 154.4 Ų | 154.4 | 92% | 0.916 | 78% | 0.775 | S | S | * | * | trans | -78.9 | -0.2 | 178.7 | -74.8 | -178.9 | 12 | 0 | 0 | 113.1 | G9 R13 | G9-Q11 PolarHBondContact O-N 3.18Å; G9-Q11 VanDerWaalsContact O-N 3.07Å; Q11-R13 PolarHBondContact O-N 2.98Å | ||
| 12 | E | 57.9 | Low | 58.8 | Low | 152 Ų | 152 | 149.7 Ų | 149.7 | 71% | 0.71 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -84.3 | 90.2 | -174.2 | -51.7 | -125.2 | 133.5 | 0 | 0 | 109 | N10 G14 | N10-E12 PolarHBondContact O-N 2.73Å; E12-G14 VanDerWaalsContact C-N 3.32Å; E12-G14 PolarHBondContact O-N 3.1Å |
| 13 | R | 59.9 | Low | 59.3 | Low | 243 Ų | 243 | 152.1 Ų | 152.1 | 92% | 0.917 | 77% | 0.766 | S | S | * | * | trans | 31.3 | 64.4 | 150.5 | -122.2 | 165.9 | -156.6 | -156.6 | 1.4 | 113.4 | Q11 | Q11-R13 PolarHBondContact O-N 2.98Š| ||
| 14 | G | 63.3 | Low | 59.6 | Low | 53 Ų | 53 | 148 Ų | 148 | 55% | 0.546 | 76% | 0.758 | S | S | . | * | trans | -56.5 | 143.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | E12 N16 | E12-G14 VanDerWaalsContact C-N 3.32Å; E12-G14 PolarHBondContact O-N 3.1Å; G14-N16 PolarHBondContact O-N 3.11Å | ||
| 15 | W | 68.3 | Low | 59.4 | Low | 266 Ų | 266 | 147.9 Ų | 147.9 | 100% | 1.008 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | 30 | -178.6 | -128.2 | 89 | 0 | 0 | 0 | 114.4 | ||
| 16 | N | 55 | Low | 59.3 | Low | 156 Ų | 156 | 145.8 Ų | 145.8 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.9 | 24.1 | -172.3 | -151.2 | 3.7 | 0 | 0 | 0 | 111.7 | G14 | G14-N16 PolarHBondContact O-N 3.11Š|
| 17 | D | 69.8 | Low | 58.8 | Low | 118 Ų | 118 | 147.8 Ų | 147.8 | 63% | 0.631 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 117.7 | 166.9 | -150.3 | -91.2 | 0 | 0 | 0 | 107.8 | ||
| 18 | P | 65.1 | Low | 58 | Low | 91 Ų | 91 | 143.7 Ų | 143.7 | 59% | 0.591 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 148.2 | 178.3 | 26.8 | -33 | 0 | 0 | 0 | 109.8 | Q20 | P18-Q20 PolarHBondContact O-N 2.83Š|
| 19 | P | 62.3 | Low | 57.9 | Low | 101 Ų | 101 | 150.2 Ų | 150.2 | 66% | 0.656 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 117.9 | 177.2 | 22.8 | -32.6 | 0 | 0 | 0 | 110 | F21 | P19-F21 HydrophobicContact CB-CD2 4.43Å; P19-F21 HydrophobicContact CB-CE2 4.06Å; P19-F21 HydrophobicContact CG-CD2 4.36Å; P19-F21 HydrophobicContact CG-CE2 3.78Å; P19-F21 HydrophobicContact CG-CZ 4.5Å; P19-F21 WeakPolarHBondContact O-CD2 3.48Å; P19-F21 PolarHBondContact O-N 2.92Å |
| 20 | Q | 64.6 | Low | 57.7 | Low | 166 Ų | 166 | 150.2 Ų | 150.2 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | -67.5 | 83.4 | 173.4 | -73.2 | -94 | -47.5 | 0 | 0 | 108.7 | P18 S22 | P18-Q20 PolarHBondContact O-N 2.83Å; Q20-S22 PolarHBondContact O-N 3.43Å | ||
| 21 | F | 54 | Low | 57.1 | Low | 163 Ų | 163 | 149.6 Ų | 149.6 | 72% | 0.715 | 78% | 0.782 | S | S | * | * | trans | -68 | 114 | 158.5 | -66.2 | -76.8 | 0 | 0 | 0 | 106.6 | P19 Y23 | P19-F21 HydrophobicContact CB-CD2 4.43Å; P19-F21 HydrophobicContact CB-CE2 4.06Å; P19-F21 HydrophobicContact CG-CD2 4.36Å; P19-F21 HydrophobicContact CG-CE2 3.78Å; P19-F21 HydrophobicContact CG-CZ 4.5Å; P19-F21 WeakPolarHBondContact O-CD2 3.48Å; P19-F21 PolarHBondContact O-N 2.92Å; F21-Y23 PolarHBondContact O-N 3.03Å | ||
| 22 | S | 55.7 | Low | 57 | Low | 114 Ų | 114 | 149.2 Ų | 149.2 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | -49.2 | 94.7 | -175.6 | -48.7 | 0 | 0 | 0 | 0 | 112.5 | Q20 G24 | Q20-S22 PolarHBondContact O-N 3.43Å; S22-G24 PolarHBondContact O-N 3.15Å | ||
| 23 | Y | 56.4 | Low | 56.9 | Low | 230 Ų | 230 | 152.7 Ų | 152.7 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | trans | -78 | 34.5 | 176.5 | -111.9 | -87.6 | 0 | 0 | 0 | 112.3 | F21 | F21-Y23 PolarHBondContact O-N 3.03Š| ||
| 24 | G | 60.4 | Low | 56.9 | Low | 63 Ų | 63 | 147.8 Ų | 147.8 | 65% | 0.649 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -121.2 | 14.8 | -168 | 0 | 0 | 0 | 0 | 0 | 115.9 | S22 | S22-G24 PolarHBondContact O-N 3.15Š|
| 25 | L | 51.5 | Low | 56.3 | Low | 163 Ų | 163 | 150.3 Ų | 150.3 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -137.7 | 17.7 | -179.4 | -105.2 | 145.1 | 0 | 0 | 0 | 114.8 | ||
| 26 | Q | 55.6 | Low | 55.3 | Low | 185 Ų | 185 | 144.3 Ų | 144.3 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | trans | -114.8 | 16.2 | 178.4 | -79.4 | -168.6 | 65.9 | 0 | 0 | 115.4 | A28 | Q26-A28 VanDerWaalsContact C-N 3.33Š| ||
| 27 | T | 48.2 | Very low | 55 | Low | 146 Ų | 146 | 143.3 Ų | 143.3 | 90% | 0.896 | 78% | 0.778 | S | S | * | * | trans | -88 | 6.5 | 171.7 | 52.3 | 0 | 0 | 0 | 0 | 114.5 | R29 | T27-R29 PolarHBondContact O-N 2.68Š| ||
| 28 | A | 45.2 | Very low | 54.2 | Low | 90 Ų | 90 | 148 Ų | 148 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -87.4 | 97.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q26 G30 | Q26-A28 VanDerWaalsContact C-N 3.33Å; A28-G30 PolarHBondContact O-N 3.36Å |
| 29 | R | 52.5 | Low | 53.2 | Low | 260 Ų | 260 | 154.6 Ų | 154.6 | 98% | 0.981 | 80% | 0.8 | S | S | * | * | trans | -48.9 | 110.6 | 167.6 | -80.8 | 179.3 | 158.7 | 114.9 | -4.9 | 110.5 | T27 | T27-R29 PolarHBondContact O-N 2.68Š| ||
| 30 | G | 51.2 | Low | 52.3 | Low | 64 Ų | 64 | 153.5 Ų | 153.5 | 66% | 0.66 | 80% | 0.8 | S | S | * | * | trans | -122.2 | 135.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | A28 Q32 | A28-G30 PolarHBondContact O-N 3.36Å; G30-Q32 PolarHBondContact O-N 3.29Å | ||
| 31 | P | 45.1 | Very low | 51.5 | Low | 121 Ų | 121 | 152.1 Ų | 152.1 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | trans | -62.7 | 132.8 | -171.7 | -22.1 | 32.3 | 0 | 0 | 0 | 114.3 | R33 | P31-R33 PolarHBondContact O-N 3.15Š| ||
| 32 | Q | 55.7 | Low | 50.9 | Low | 188 Ų | 188 | 150.5 Ų | 150.5 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | trans | -51.5 | 117.8 | 166.2 | -88.3 | -78.7 | -47.6 | 0 | 0 | 111.1 | G30 | G30-Q32 PolarHBondContact O-N 3.29Š| ||
| 33 | R | 56.1 | Low | 50.1 | Low | 226 Ų | 226 | 149.8 Ų | 149.8 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | trans | -132.8 | 110.7 | 163.5 | -50.9 | -169.4 | 83.6 | 153.2 | 4.2 | 107.7 | P31 P35 | P31-R33 PolarHBondContact O-N 3.15Å; R33-P35 VanDerWaalsContact O-CD 3.27Å; R33-P35 WeakPolarHBondContact O-CD 3.47Å | ||
| 34 | N | 58.5 | Low | 49.2 | Very low | 140 Ų | 140 | 143.7 Ų | 143.7 | 75% | 0.749 | 81% | 0.806 | S | S | * | * | trans | -89.3 | 112.6 | 159.9 | -178.5 | -9.6 | 0 | 0 | 0 | 107.1 | ||||
| 35 | P | 50.8 | Low | 48.2 | Very low | 106 Ų | 106 | 145.9 Ų | 145.9 | 69% | 0.688 | 81% | 0.812 | S | S | * | * | trans | -116.1 | 106.4 | 160.7 | 33 | -20.4 | 0 | 0 | 0 | 110.1 | R33 S37 | R33-P35 VanDerWaalsContact O-CD 3.27Å; R33-P35 WeakPolarHBondContact O-CD 3.47Å; P35-S37 PolarHBondContact O-N 2.95Å | ||
| 36 | L | 47.3 | Very low | 47.6 | Very low | 140 Ų | 140 | 143.8 Ų | 143.8 | 73% | 0.733 | 81% | 0.811 | S | S | * | * | trans | -29.4 | 113.9 | 152.4 | -65.3 | 155.3 | 0 | 0 | 0 | 111.7 | R38 | L36-R38 PolarHBondContact O-N 3.49Š| ||
| 37 | S | 49.8 | Very low | 46.6 | Very low | 135 Ų | 135 | 138.7 Ų | 138.7 | 94% | 0.944 | 81% | 0.808 | S | S | * | * | trans | -76 | 76.1 | 165.9 | 54.4 | 0 | 0 | 0 | 0 | 110 | P35 | P35-S37 PolarHBondContact O-N 2.95Š| ||
| 38 | R | 52 | Low | 46.8 | Very low | 216 Ų | 216 | 138.3 Ų | 138.3 | 82% | 0.815 | 81% | 0.808 | S | S | * | * | trans | -113.3 | 127 | 155 | -151 | -167.6 | -75.9 | -143.8 | 1.7 | 102.2 | L36 | L36-R38 PolarHBondContact O-N 3.49Š| ||
| 39 | R | 44 | Very low | 46.1 | Very low | 229 Ų | 229 | 137.8 Ų | 137.8 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | cis | 178.9 | 161.5 | 49.5 | -158.6 | -168.4 | 178.9 | 155.6 | -1 | 109 | ||||
| 40 | A | 43.1 | Very low | 45.7 | Very low | 79 Ų | 79 | 130 Ų | 130 | 65% | 0.653 | 80% | 0.803 | S | S | * | * | trans | 82.8 | 121.7 | 138.3 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 41 | V | 48.4 | Very low | 45.5 | Very low | 137 Ų | 137 | 132.9 Ų | 132.9 | 83% | 0.83 | 81% | 0.81 | S | S | * | * | trans | -34.8 | 158.7 | 150.1 | -70.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 42 | P | 42.1 | Very low | 45.7 | Very low | 128 Ų | 128 | 132.5 Ų | 132.5 | 83% | 0.831 | 81% | 0.81 | S | S | * | * | -131.5 | 149.3 | 124.8 | 35.4 | -23.6 | 0 | 0 | 0 | 113.2 | |||||
| 43 | A | 37.8 | Very low | 45.1 | Very low | 99 Ų | 99 | 129.2 Ų | 129.2 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -90.2 | 139.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 44 | A | 38.3 | Very low | 44.8 | Very low | 102 Ų | 102 | 122.9 Ų | 122.9 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | trans | 178.3 | 143 | 130.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 45 | S | 39.7 | Very low | 44.9 | Very low | 109 Ų | 109 | 121.8 Ų | 121.8 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | trans | -51.9 | 143.6 | 176.9 | 50.5 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 46 | S | 38.6 | Very low | 44.7 | Very low | 120 Ų | 120 | 122.4 Ų | 122.4 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | 154.2 | 126.2 | 115.2 | -80.1 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 47 | G | 34.9 | Very low | 44.4 | Very low | 77 Ų | 77 | 121 Ų | 121 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | trans | 87.9 | 153.9 | 140.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 48 | P | 50.9 | Low | 44.1 | Very low | 138 Ų | 138 | 119.9 Ų | 119.9 | 90% | 0.896 | 80% | 0.799 | S | S | * | * | trans | -116.7 | 158.2 | -138.8 | 38.3 | -25.6 | 0 | 0 | 0 | 115.6 | ||||
| 49 | G | 32.2 | Very low | 43.8 | Very low | 79 Ų | 79 | 117 Ų | 117 | 81% | 0.814 | 80% | 0.8 | S | S | * | * | trans | 157.3 | 119.8 | 164.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 50 | A | 43.1 | Very low | 43.8 | Very low | 98 Ų | 98 | 113.8 Ų | 113.8 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | trans | -68.6 | -169.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 51 | P | 46.6 | Very low | 43.9 | Very low | 123 Ų | 123 | 118.9 Ų | 118.9 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | cis | -121.4 | 173.9 | -36.1 | 25.1 | -4 | 0 | 0 | 0 | 112.8 | ||||
| 52 | S | 49.1 | Very low | 44.2 | Very low | 113 Ų | 113 | 117 Ų | 117 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | trans | -67.9 | 148.8 | 177.5 | -168.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 53 | P | 44.2 | Very low | 45.2 | Very low | 120 Ų | 120 | 116.4 Ų | 116.4 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | trans | -110 | 134.9 | 152.4 | 33.1 | -22.9 | 0 | 0 | 0 | 111.9 | ||||
| 54 | A | 49 | Very low | 46.2 | Very low | 92 Ų | 92 | 117.2 Ų | 117.2 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -63 | 158 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 55 | P | 60.2 | Low | 46.6 | Very low | 117 Ų | 117 | 121.2 Ų | 121.2 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 150.4 | 164.8 | 34.1 | -32.2 | 0 | 0 | 0 | 111.8 | S57 | P55-S57 PolarHBondContact O-N 2.82Š|
| 56 | P | 46.7 | Very low | 46.8 | Very low | 120 Ų | 120 | 121.5 Ų | 121.5 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 122.6 | 173.4 | 29.9 | -31.2 | 0 | 0 | 0 | 111 | S58 | P56-S58 PolarHBondContact O-N 2.76Š|
| 57 | S | 42.3 | Very low | 47 | Very low | 111 Ų | 111 | 127.3 Ų | 127.3 | 78% | 0.776 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 121.3 | 163.8 | -83.6 | 0 | 0 | 0 | 0 | 109.9 | P55 | P55-S57 PolarHBondContact O-N 2.82Š|
| 58 | S | 42.2 | Very low | 47.8 | Very low | 110 Ų | 110 | 129.9 Ų | 129.9 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | trans | -112.7 | 85.1 | 164.5 | -58.7 | 0 | 0 | 0 | 0 | 108.2 | P56 | P56-S58 PolarHBondContact O-N 2.76Š| ||
| 59 | N | 46.8 | Very low | 47.9 | Very low | 155 Ų | 155 | 127.1 Ų | 127.1 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | trans | -97.6 | 96.9 | 167.1 | -87.3 | -34.9 | 0 | 0 | 0 | 108.2 | ||||
| 60 | L | 44.5 | Very low | 49.3 | Very low | 163 Ų | 163 | 129 Ų | 129 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | trans | -126.7 | 105.3 | 163.1 | -72.1 | 177.5 | 0 | 0 | 0 | 107.7 | ||||
| 61 | M | 44.8 | Very low | 50.3 | Low | 186 Ų | 186 | 129.7 Ų | 129.7 | 92% | 0.916 | 79% | 0.794 | S | S | * | * | trans | 162.7 | 104.9 | 134.7 | -93.7 | 165.3 | 64.2 | 0 | 0 | 109.6 | ||||
| 62 | A | 54.5 | Low | 50.7 | Low | 98 Ų | 98 | 130 Ų | 130 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 136.7 | 154.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||
| 63 | P | 63.8 | Low | 50.9 | Low | 114 Ų | 114 | 132.2 Ų | 132.2 | 74% | 0.74 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 153.7 | 174.8 | 29.6 | -31.5 | 0 | 0 | 0 | 111.5 | M65 | P63-M65 PolarHBondContact O-N 2.79Š|
| 64 | P | 58 | Low | 51 | Low | 116 Ų | 116 | 132.5 Ų | 132.5 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 130.4 | -176.6 | 29.5 | -33.1 | 0 | 0 | 0 | 110.8 | C66 | P64-C66 PolarHBondContact O-N 2.93Å; P64-C66 VanDerWaalsContact O-N 3.09Å |
| 65 | M | 46.1 | Very low | 51 | Low | 187 Ų | 187 | 133.3 Ų | 133.3 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | trans | -71.6 | 101.7 | 169.8 | -67.4 | -138.8 | -68.2 | 0 | 0 | 109.5 | P63 R67 | P63-M65 PolarHBondContact O-N 2.79Å; M65-R67 VanDerWaalsContact C-N 3.33Å; M65-R67 PolarHBondContact O-N 3.04Å | ||
| 66 | C | 43.5 | Very low | 50 | Low | 114 Ų | 114 | 130.5 Ų | 130.5 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | trans | -68.1 | 91.8 | 165.6 | -71.4 | 0 | 0 | 0 | 0 | 109.1 | P64 V68 | P64-C66 PolarHBondContact O-N 2.93Å; P64-C66 VanDerWaalsContact O-N 3.09Å; C66-V68 PolarHBondContact O-N 3.44Å; C66-V68 VanDerWaalsContact O-N 3.09Å | ||
| 67 | R | 44.7 | Very low | 49.8 | Very low | 243 Ų | 243 | 133.9 Ų | 133.9 | 92% | 0.917 | 80% | 0.804 | S | S | * | * | trans | -75.4 | 88.5 | 171.1 | -165.5 | -176.1 | -167.7 | -166.4 | 3.7 | 108.6 | M65 A69 | M65-R67 VanDerWaalsContact C-N 3.33Å; M65-R67 PolarHBondContact O-N 3.04Å; R67-A69 PolarHBondContact O-N 3.29Å | ||
| 68 | V | 49.8 | Very low | 50.1 | Low | 130 Ų | 130 | 134.2 Ų | 134.2 | 79% | 0.788 | 80% | 0.804 | S | S | * | * | trans | -84.4 | 108.6 | 169.3 | -173.7 | 0 | 0 | 0 | 0 | 107.6 | C66 | C66-V68 PolarHBondContact O-N 3.44Å; C66-V68 VanDerWaalsContact O-N 3.09Å | ||
| 69 | A | 54.6 | Low | 50.5 | Low | 81 Ų | 81 | 134.9 Ų | 134.9 | 67% | 0.669 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 135.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | R67 | R67-A69 PolarHBondContact O-N 3.29Š|
| 70 | P | 61.3 | Low | 50.2 | Low | 118 Ų | 118 | 136.1 Ų | 136.1 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -79 | 144.5 | 170.8 | 30.2 | -30.5 | 0 | 0 | 0 | 111 | ||
| 71 | P | 63.4 | Low | 49.9 | Very low | 113 Ų | 113 | 133 Ų | 133 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -76 | 150.4 | 172.1 | 31.3 | -32.6 | 0 | 0 | 0 | 111.2 | ||
| 72 | P | 55.5 | Low | 49.8 | Very low | 128 Ų | 128 | 129.7 Ų | 129.7 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -75 | 133.9 | 175.2 | 30.4 | -31.4 | 0 | 0 | 0 | 110.7 | ||
| 73 | L | 52.6 | Low | 49.7 | Very low | 161 Ų | 161 | 130.4 Ų | 130.4 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 143.1 | 171.1 | -67.7 | 170.3 | 0 | 0 | 0 | 110.2 | ||
| 74 | P | 46.9 | Very low | 48.5 | Very low | 125 Ų | 125 | 131.6 Ų | 131.6 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 128.6 | 176.4 | -5.1 | 22 | 0 | 0 | 0 | 110.8 | ||
| 75 | A | 49.3 | Very low | 47.8 | Very low | 109 Ų | 109 | 130.4 Ų | 130.4 | 90% | 0.901 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 132.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 76 | G | 39.5 | Very low | 47.7 | Very low | 59 Ų | 59 | 130.7 Ų | 130.7 | 61% | 0.608 | 80% | 0.795 | S | S | * | * | trans | 155.9 | 117.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 77 | H | 41.3 | Very low | 47.8 | Very low | 191 Ų | 191 | 132.3 Ų | 132.3 | 88% | 0.884 | 80% | 0.802 | S | S | * | * | cis | -159.5 | -175.9 | 44.7 | -63.2 | -105.6 | 0 | 0 | 0 | 107.6 | ||||
| 78 | P | 50 | Low | 47.5 | Very low | 117 Ų | 117 | 124 Ų | 124 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | cis | -131.7 | -171.8 | -3.3 | 41.4 | -20.7 | 0 | 0 | 0 | 112.6 | ||||
| 79 | P | 49.7 | Very low | 48.4 | Very low | 124 Ų | 124 | 123.5 Ų | 123.5 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | trans | -85.5 | 151.6 | -164.2 | 34.3 | -30.3 | 0 | 0 | 0 | 114.3 | ||||
| 80 | E | 39.7 | Very low | 47.6 | Very low | 181 Ų | 181 | 128 Ų | 128 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | trans | -61.4 | 129.3 | 166.4 | -169.9 | 176.2 | 125.6 | 0 | 0 | 111.5 | ||||
| 81 | A | 39.8 | Very low | 47 | Very low | 99 Ų | 99 | 132 Ų | 132 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -140.2 | 115.5 | 157.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 82 | T | 41.5 | Very low | 46.2 | Very low | 115 Ų | 115 | 134.6 Ų | 134.6 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | trans | -79.8 | -173.8 | 171.2 | 47.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 83 | P | 51.8 | Low | 45.5 | Very low | 114 Ų | 114 | 137.2 Ų | 137.2 | 74% | 0.74 | 80% | 0.801 | S | S | * | * | -116.9 | 167.3 | -85.3 | 33.3 | -16 | 0 | 0 | 0 | 111.8 | |||||
| 84 | T | 39.3 | Very low | 45.2 | Very low | 138 Ų | 138 | 133 Ų | 133 | 85% | 0.847 | 80% | 0.796 | S | S | * | * | trans | -147.1 | 110.3 | 157.3 | -31.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 85 | A | 44.6 | Very low | 44.8 | Very low | 91 Ų | 91 | 135.9 Ų | 135.9 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | trans | -65 | 135.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 86 | Q | 43.6 | Very low | 44.6 | Very low | 193 Ų | 193 | 135.1 Ų | 135.1 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | trans | -144 | 127.4 | 147.6 | -72.6 | -158.9 | 82.6 | 0 | 0 | 112.2 | ||||
| 87 | T | 44.5 | Very low | 44.6 | Very low | 148 Ų | 148 | 138.5 Ų | 138.5 | 91% | 0.908 | 80% | 0.797 | S | S | * | * | trans | -56.2 | 140.8 | 173.4 | -55.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 88 | G | 39.8 | Very low | 44.7 | Very low | 68 Ų | 68 | 132.7 Ų | 132.7 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | trans | -178 | 124.7 | 161.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 89 | P | 66.9 | Low | 44.5 | Very low | 121 Ų | 121 | 130.6 Ų | 130.6 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | trans | -99.1 | 117.2 | -178.8 | 34.2 | -25.4 | 0 | 0 | 0 | 111.1 | ||||
| 90 | M | 39.7 | Very low | 44.7 | Very low | 174 Ų | 174 | 131 Ų | 131 | 86% | 0.857 | 77% | 0.768 | S | S | * | * | trans | -163.4 | 111 | 158.3 | -159.8 | 69 | 88.4 | 0 | 0 | 111.8 | ||||
| 91 | R | 47.9 | Very low | 45.7 | Very low | 203 Ų | 203 | 126.8 Ų | 126.8 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | trans | 38.9 | 127.6 | 130.3 | -120.8 | -167.5 | 163.2 | -178 | -1.5 | 120.4 | ||||
| 92 | K | 46.3 | Very low | 47.3 | Very low | 168 Ų | 168 | 128.2 Ų | 128.2 | 73% | 0.73 | 75% | 0.748 | S | S | * | * | trans | 71.6 | 99.6 | 154.3 | -57.5 | -169.2 | -179.8 | -171.8 | 0 | 116.3 | ||||
| 93 | Q | 41.5 | Very low | 49.2 | Very low | 183 Ų | 183 | 123.4 Ų | 123.4 | 86% | 0.855 | 72% | 0.719 | S | S | * | * | trans | -137.8 | 107.4 | 134.5 | -160.2 | 148.1 | -20.4 | 0 | 0 | 106.7 | E95 | Q93-E95 VanDerWaalsContact C-N 3.32Å; Q93-E95 PolarHBondContact O-N 2.98Å | ||
| 94 | G | 46.3 | Very low | 51.1 | Low | 72 Ų | 72 | 122 Ų | 122 | 74% | 0.742 | 71% | 0.706 | S | S | * | * | trans | -60.5 | 108.2 | 159.3 | 0 | 0 | 0 | 0 | 0 | 105.4 | A96 | G94-A96 PolarHBondContact O-N 3.16Š| ||
| 95 | E | 38.6 | Very low | 53.6 | Low | 185 Ų | 185 | 116.6 Ų | 116.6 | 86% | 0.864 | 67% | 0.671 | S | S | * | * | trans | -58 | 90.9 | 149.8 | -79.1 | 169.1 | 95.9 | 0 | 0 | 104.7 | Q93 D97 | Q93-E95 VanDerWaalsContact C-N 3.32Å; Q93-E95 PolarHBondContact O-N 2.98Å; E95-D97 PolarHBondContact O-N 3.4Å | ||
| 96 | A | 44.4 | Very low | 55.9 | Low | 94 Ų | 94 | 117.1 Ų | 117.1 | 78% | 0.777 | 66% | 0.661 | S | S | * | * | trans | -58.1 | 89.5 | 144.7 | 0 | 0 | 0 | 0 | 0 | 103.6 | G94 G98 | G94-A96 PolarHBondContact O-N 3.16Å; A96-G98 PolarHBondContact O-N 3.37Å | ||
| 97 | D | 38.8 | Very low | 58.2 | Low | 129 Ų | 129 | 111.5 Ų | 111.5 | 69% | 0.69 | 64% | 0.64 | S | S | * | * | trans | -31.3 | 98.3 | 153.5 | -176.8 | 32.5 | 0 | 0 | 0 | 105.9 | E95 S99 | E95-D97 PolarHBondContact O-N 3.4Å; D97-S99 PolarHBondContact O-N 2.94Å; D97-S99 WeakPolarHBondContact OD2-CB 3.12Å | ||
| 98 | G | 43.9 | Very low | 60.6 | Low | 70 Ų | 70 | 104.4 Ų | 104.4 | 72% | 0.722 | 60% | 0.597 | S | S | * | * | trans | -70.7 | 55 | 167.1 | 0 | 0 | 0 | 0 | 0 | 107 | A96 Q100 | A96-G98 PolarHBondContact O-N 3.37Å; G98-Q100 PolarHBondContact O-N 2.89Å | ||
| 99 | S | 46.2 | Very low | 63.3 | Low | 72 Ų | 72 | 101.8 Ų | 101.8 | 50% | 0.503 | 57% | 0.567 | S | S | . | * | trans | -61.1 | 93.4 | 161.8 | -158.4 | 0 | 0 | 0 | 0 | 102.8 | D97 S101 | D97-S99 PolarHBondContact O-N 2.94Å; D97-S99 WeakPolarHBondContact OD2-CB 3.12Å; S99-S101 PolarHBondContact O-N 3.16Å; S99-S101 PolarHBondContact O-OG 3.45Å | ||
| 100 | Q | 54.6 | Low | 64.5 | Low | 133 Ų | 133 | 98.8 Ų | 98.8 | 62% | 0.621 | 55% | 0.548 | S | S | * | . | trans | -65.1 | 80.2 | 163.8 | -68.9 | -173.7 | -51.2 | 0 | 0 | 104.3 | G98 E102 R153 | G98-Q100 PolarHBondContact O-N 2.89Å; Q100-E102 PolarHBondContact O-N 3.4Å; Q100-R153 VanDerWaalsContact OE1-CZ 3.31Å | ||
| 101 | S | 60.4 | Low | 67.1 | Low | 92 Ų | 92 | 91.1 Ų | 91.1 | 64% | 0.643 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -48.3 | 128.9 | 179.4 | -61.5 | 0 | 0 | 0 | 0 | 107.1 | S99 | S99-S101 PolarHBondContact O-N 3.16Å; S99-S101 PolarHBondContact O-OG 3.45Å |
| 102 | E | 73.3 | Confident | 69.3 | Low | 129 Ų | 129 | 81.4 Ų | 81.4 | 60% | 0.603 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -52.2 | 129.6 | 174.5 | -74.6 | -70.1 | 103.4 | 0 | 0 | 107.9 | Q100 D104 L149 | Q100-E102 PolarHBondContact O-N 3.4Å; E102-D104 PolarHBondContact O-N 2.91Å; E102-L149 WeakPolarHBondContact OE1-CD1 3.45Å |
| 103 | P | 81.6 | Confident | 71.6 | Confident | 15 Ų | 15 | 76 Ų | 76 | 10% | 0.097 | 45% | 0.454 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 127 | 179.4 | 23.1 | -32.8 | 0 | 0 | 0 | 109.3 | L105 W142 T152 R153 D156 | P103-L105 PolarHBondContact O-N 2.72Å; P103-W142 HydrophobicContact CB-CZ2 4.29Å; P103-W142 HydrophobicContact CG-CZ2 4.17Å; P103-T152 WeakPolarHBondContact CG-OG1 3.26Å; P103-R153 HydrophobicContact CG-CG 4.05Å; P103-D156 HydrophobicContact CB-CB 3.72Å |
| 104 | D | 90.5 | Very high | 74 | Confident | 85 Ų | 85 | 71.5 Ų | 71.5 | 46% | 0.455 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -78.4 | 118.7 | -175.2 | 178.7 | 69.2 | 0 | 0 | 0 | 110.6 | E102 D106 T107 V108 | E102-D104 PolarHBondContact O-N 2.91Å; D104-D106 VanDerWaalsContact C-N 3.26Å; D104-D106 PolarHBondContact O-N 2.84Å; D104-D106 WeakPolarHBondContact OD2-CB 3.34Å; D104-D106 PolarHBondContact OD2-N 2.72Å; D104-T107 PolarHBondContact O-N 2.8Å; D104-T107 WeakPolarHBondContact OD2-CB 3.42Å; D104-T107 PolarHBondContact OD2-N 2.75Å; D104-T107 PolarHBondContact OD2-OG1 2.78Å; D104-V108 PolarHBondContact O-N 3.47Å |
| 105 | L | 92 | Very high | 76.2 | Confident | 23 Ų | 23 | 68 Ų | 68 | 12% | 0.12 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -54.3 | -44.1 | -179.7 | 171 | 70.8 | 0 | 0 | 0 | 111.7 | P103 V108 M109 E139 W142 R143 | P103-L105 PolarHBondContact O-N 2.72Å; L105-V108 PolarHBondContact O-N 3.19Å; L105-M109 VanDerWaalsContact O-CB 3.23Å; L105-M109 WeakPolarHBondContact O-CB 3.48Å; L105-M109 PolarHBondContact O-N 3.24Å; L105-E139 HydrophobicContact CD2-CG 4.46Å; L105-W142 HydrophobicContact CD1-CB 3.7Å; L105-W142 HydrophobicContact CD1-CD2 3.56Å; L105-W142 HydrophobicContact CD1-CE3 3.84Å; L105-W142 HydrophobicContact CD1-CG 3.53Å; L105-R143 HydrophobicContact CD2-CG 3.62Å |
| 106 | D | 93.1 | Very high | 78.7 | Confident | 102 Ų | 102 | 59.3 Ų | 59.3 | 55% | 0.545 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67.1 | -40.9 | -173 | -164.2 | -94.1 | 0 | 0 | 0 | 110.9 | D104 S110 | D104-D106 VanDerWaalsContact C-N 3.26Å; D104-D106 PolarHBondContact O-N 2.84Å; D104-D106 WeakPolarHBondContact OD2-CB 3.34Å; D104-D106 PolarHBondContact OD2-N 2.72Å; D106-S110 WeakPolarHBondContact O-CB 3.44Å; D106-S110 PolarHBondContact O-N 3.2Å; D106-S110 PolarHBondContact O-OG 3.16Å |
| 107 | T | 92.7 | Very high | 81 | Confident | 75 Ų | 75 | 60.2 Ų | 60.2 | 46% | 0.46 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60 | -52.9 | 174.8 | -58.2 | 0 | 0 | 0 | 0 | 111.3 | D104 M109 S110 V111 | D104-T107 PolarHBondContact O-N 2.8Å; D104-T107 WeakPolarHBondContact OD2-CB 3.42Å; D104-T107 PolarHBondContact OD2-N 2.75Å; D104-T107 PolarHBondContact OD2-OG1 2.78Å; T107-M109 PolarHBondContact O-N 2.92Å; T107-S110 PolarHBondContact O-N 2.82Å; T107-V111 WeakPolarHBondContact O-CG2 3.33Å; T107-V111 PolarHBondContact O-N 3.26Å; T107-V111 VanDerWaalsContact O-N 3.15Å |
| 108 | V | 94.7 | Very high | 83.3 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.9 | -46.2 | -179.7 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | D104 L105 S110 V111 L112 W142 M155 D156 | D104-V108 PolarHBondContact O-N 3.47Å; L105-V108 PolarHBondContact O-N 3.19Å; V108-S110 VanDerWaalsContact C-N 3.34Å; V108-S110 PolarHBondContact O-N 3.15Å; V108-V111 PolarHBondContact O-N 3.01Å; V108-L112 HydrophobicContact CG1-CD1 4.08Å; V108-L112 WeakPolarHBondContact O-CG 3.16Å; V108-L112 PolarHBondContact O-N 3.16Å; V108-L112 VanDerWaalsContact O-N 3.16Å; V108-W142 HydrophobicContact CB-CH2 4.31Å; V108-W142 HydrophobicContact CB-CZ3 4.42Å; V108-W142 HydrophobicContact CG1-CH2 4.3Å; V108-W142 HydrophobicContact CG1-CZ3 4.04Å; V108-W142 HydrophobicContact CG2-CH2 4.09Å; V108-M155 HydrophobicContact CG1-CG 3.79Å; V108-D156 HydrophobicContact CG2-CB 3.98Å |
| 109 | M | 95.1 | Very high | 85.4 | Confident | 13 Ų | 13 | 51.7 Ų | 51.7 | 6% | 0.064 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.1 | -35.9 | -178.9 | -165.3 | 54.1 | 59.7 | 0 | 0 | 112.1 | L105 T107 L112 N113 L135 L138 E139 | L105-M109 VanDerWaalsContact O-CB 3.23Å; L105-M109 WeakPolarHBondContact O-CB 3.48Å; L105-M109 PolarHBondContact O-N 3.24Å; T107-M109 PolarHBondContact O-N 2.92Å; M109-L112 PolarHBondContact O-N 3.31Å; M109-N113 WeakPolarHBondContact CG-ND2 3.35Å; M109-N113 WeakPolarHBondContact O-CB 3.41Å; M109-N113 PolarHBondContact O-N 2.92Å; M109-N113 PolarHBondContact O-ND2 3.35Å; M109-L135 HydrophobicContact SD-CB 4.25Å; M109-L138 HydrophobicContact CE-CB 4.43Å; M109-L138 HydrophobicContact CE-CD2 3.8Å; M109-L138 HydrophobicContact CE-CG 3.85Å; M109-E139 HydrophobicContact CE-CB 3.84Å; M109-E139 HydrophobicContact CE-CG 4.41Å |
| 110 | S | 94 | Very high | 87.4 | Confident | 57 Ų | 57 | 54.5 Ų | 54.5 | 40% | 0.399 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.7 | -43.6 | 175 | -71.7 | 0 | 0 | 0 | 0 | 112.1 | D106 T107 V108 N113 R114 | D106-S110 WeakPolarHBondContact O-CB 3.44Å; D106-S110 PolarHBondContact O-N 3.2Å; D106-S110 PolarHBondContact O-OG 3.16Å; T107-S110 PolarHBondContact O-N 2.82Å; V108-S110 VanDerWaalsContact C-N 3.34Å; V108-S110 PolarHBondContact O-N 3.15Å; S110-N113 PolarHBondContact O-N 3.37Å; S110-R114 WeakPolarHBondContact O-CB 3.42Å; S110-R114 PolarHBondContact O-N 3.27Å |
| 111 | V | 94.1 | Very high | 88.8 | Confident | 13 Ų | 13 | 53 Ų | 53 | 8% | 0.079 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.1 | -45.6 | 177.5 | 174.8 | 0 | 0 | 0 | 0 | 111.3 | T107 V108 N113 R114 A115 S159 Q163 L210 | T107-V111 WeakPolarHBondContact O-CG2 3.33Å; T107-V111 PolarHBondContact O-N 3.26Å; T107-V111 VanDerWaalsContact O-N 3.15Å; V108-V111 PolarHBondContact O-N 3.01Å; V111-N113 PolarHBondContact O-N 3.34Å; V111-R114 PolarHBondContact O-N 2.94Å; V111-A115 WeakPolarHBondContact O-CB 3.15Å; V111-A115 PolarHBondContact O-N 3.46Å; V111-S159 WeakPolarHBondContact CG1-O 3.38Å; V111-Q163 HydrophobicContact CG1-CB 4.08Å; V111-L210 HydrophobicContact CG1-CD2 4.2Å |
| 112 | L | 94 | Very high | 89.9 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.3 | -41.1 | 179.3 | -64.5 | 168.1 | 0 | 0 | 0 | 112.4 | V108 M109 A115 L116 L135 L138 M155 L158 L162 L195 | V108-L112 HydrophobicContact CG1-CD1 4.08Å; V108-L112 WeakPolarHBondContact O-CG 3.16Å; V108-L112 PolarHBondContact O-N 3.16Å; V108-L112 VanDerWaalsContact O-N 3.16Å; M109-L112 PolarHBondContact O-N 3.31Å; L112-A115 PolarHBondContact O-N 3.45Å; L112-L116 WeakPolarHBondContact O-CB 3.44Å; L112-L116 PolarHBondContact O-N 2.94Å; L112-L135 HydrophobicContact CB-CD1 4.1Å; L112-L135 HydrophobicContact CB-CD2 4.04Å; L112-L135 HydrophobicContact CD1-CD2 3.95Å; L112-L135 HydrophobicContact CG-CD2 4.46Å; L112-L138 HydrophobicContact CD1-CD2 3.72Å; L112-M155 HydrophobicContact CD1-CE 3.31Å; L112-M155 HydrophobicContact CD2-CE 3.72Å; L112-M155 HydrophobicContact CG-CE 4.08Å; L112-L158 HydrophobicContact CD2-CD2 4.37Å; L112-L162 HydrophobicContact CD2-CD2 3.96Å; L112-L195 HydrophobicContact CB-CD2 4.4Å; L112-L195 HydrophobicContact CD2-CD2 4Å |
| 113 | N | 93.9 | Very high | 90.5 | Very high | 55 Ų | 55 | 46.8 Ų | 46.8 | 29% | 0.294 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -67.8 | -40.2 | 176.9 | -81.4 | -71.4 | 0 | 0 | 0 | 111.7 | M109 S110 V111 A115 L116 E117 | M109-N113 WeakPolarHBondContact CG-ND2 3.35Å; M109-N113 WeakPolarHBondContact O-CB 3.41Å; M109-N113 PolarHBondContact O-N 2.92Å; M109-N113 PolarHBondContact O-ND2 3.35Å; S110-N113 PolarHBondContact O-N 3.37Å; V111-N113 PolarHBondContact O-N 3.34Å; N113-A115 VanDerWaalsContact C-N 3.34Å; N113-A115 PolarHBondContact O-N 3.2Å; N113-L116 WeakPolarHBondContact O-CB 3.4Å; N113-L116 PolarHBondContact O-N 3.3Å; N113-L116 VanDerWaalsContact O-N 3.16Å; N113-E117 WeakPolarHBondContact O-CG 3.44Å; N113-E117 PolarHBondContact O-N 3.46Å |
| 114 | R | 92.2 | Very high | 91 | Very high | 87 Ų | 87 | 55.6 Ų | 55.6 | 33% | 0.328 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.9 | -43.8 | 174.2 | -174.5 | -177.8 | -65.9 | -172.3 | 5.1 | 111.8 | S110 V111 L116 E117 A118 P209 L210 N212 | S110-R114 WeakPolarHBondContact O-CB 3.42Å; S110-R114 PolarHBondContact O-N 3.27Å; V111-R114 PolarHBondContact O-N 2.94Å; R114-L116 VanDerWaalsContact C-N 3.29Å; R114-L116 PolarHBondContact O-N 2.99Å; R114-E117 PolarHBondContact O-N 3.03Å; R114-A118 PolarHBondContact O-N 3.29Å; R114-P209 WeakPolarHBondContact CD-O 3.37Å; R114-P209 PolarHBondContact NH1-O 3.18Å; R114-L210 HydrophobicContact CB-CD2 4.23Å; R114-L210 HydrophobicContact CG-CD2 4.15Å; R114-L210 HydrophobicContact CG-CG 4.28Å; R114-N212 PolarHBondContact NH1-O 3.09Å; R114-N212 VanDerWaalsContact NH1-O 3.15Å |
| 115 | A | 91.5 | Very high | 91 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61 | -41.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | V111 L112 N113 E117 A118 C119 L162 L195 T199 L210 | V111-A115 WeakPolarHBondContact O-CB 3.15Å; V111-A115 PolarHBondContact O-N 3.46Å; L112-A115 PolarHBondContact O-N 3.45Å; N113-A115 VanDerWaalsContact C-N 3.34Å; N113-A115 PolarHBondContact O-N 3.2Å; A115-E117 VanDerWaalsContact C-N 3.35Å; A115-E117 PolarHBondContact O-N 2.68Å; A115-A118 PolarHBondContact O-N 3.29Å; A115-C119 PolarHBondContact O-N 2.93Å; A115-C119 PolarHBondContact O-SG 3.49Å; A115-L162 HydrophobicContact CB-CD2 3.62Å; A115-L162 HydrophobicContact CB-CG 4.4Å; A115-L195 HydrophobicContact CB-CD1 4.22Å; A115-L195 HydrophobicContact CB-CD2 4.28Å; A115-L195 HydrophobicContact CB-CG 4.41Å; A115-T199 HydrophobicContact CB-CG2 4.01Å; A115-L210 HydrophobicContact CB-CD1 4.16Å; A115-L210 HydrophobicContact CB-CD2 3.99Å |
| 116 | L | 92.4 | Very high | 91.1 | Very high | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.4 | -40.4 | 175.7 | 176.4 | 66.3 | 0 | 0 | 0 | 112.1 | L112 N113 R114 C119 R120 C128 V131 T132 L135 L195 | L112-L116 WeakPolarHBondContact O-CB 3.44Å; L112-L116 PolarHBondContact O-N 2.94Å; N113-L116 WeakPolarHBondContact O-CB 3.4Å; N113-L116 PolarHBondContact O-N 3.3Å; N113-L116 VanDerWaalsContact O-N 3.16Å; R114-L116 VanDerWaalsContact C-N 3.29Å; R114-L116 PolarHBondContact O-N 2.99Å; L116-C119 WeakPolarHBondContact O-CB 3.14Å; L116-C119 PolarHBondContact O-N 2.96Å; L116-R120 WeakPolarHBondContact O-CG 3.03Å; L116-R120 PolarHBondContact O-N 3.36Å; L116-C128 HydrophobicContact CD1-CB 4.21Å; L116-V131 HydrophobicContact CD1-CB 3.88Å; L116-V131 HydrophobicContact CD1-CG1 3.79Å; L116-T132 WeakPolarHBondContact CD2-OG1 3.43Å; L116-L135 HydrophobicContact CD2-CD1 4.06Å; L116-L195 HydrophobicContact CB-CD1 4.16Å; L116-L195 HydrophobicContact CD1-CD1 4.46Å |
| 117 | E | 91.1 | Very high | 91 | Very high | 112 Ų | 112 | 57.8 Ų | 57.8 | 52% | 0.523 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.6 | -41.2 | 176.5 | -73.9 | -179.2 | 126.7 | 0 | 0 | 112.1 | N113 R114 A115 C119 R120 | N113-E117 WeakPolarHBondContact O-CG 3.44Å; N113-E117 PolarHBondContact O-N 3.46Å; R114-E117 PolarHBondContact O-N 3.03Å; A115-E117 VanDerWaalsContact C-N 3.35Å; A115-E117 PolarHBondContact O-N 2.68Å; E117-C119 PolarHBondContact O-N 3.44Å; E117-R120 WeakPolarHBondContact O-CB 3.14Å; E117-R120 PolarHBondContact O-N 2.96Å |
| 118 | A | 88.4 | Confident | 91 | Very high | 19 Ų | 19 | 54.5 Ų | 54.5 | 16% | 0.157 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.4 | -33.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | R114 A115 S121 L202 L207 | R114-A118 PolarHBondContact O-N 3.29Å; A115-A118 PolarHBondContact O-N 3.29Å; A118-S121 PolarHBondContact O-OG 3.07Å; A118-L202 HydrophobicContact CB-CD1 4.14Å; A118-L207 HydrophobicContact CB-CD2 4.49Å |
| 119 | C | 88.1 | Confident | 91 | Very high | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.014 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -75.5 | -18.4 | 175 | -62.8 | 0 | 0 | 0 | 0 | 113.8 | A115 L116 E117 S121 S122 V123 E198 L202 | A115-C119 PolarHBondContact O-N 2.93Å; A115-C119 PolarHBondContact O-SG 3.49Å; L116-C119 WeakPolarHBondContact O-CB 3.14Å; L116-C119 PolarHBondContact O-N 2.96Å; E117-C119 PolarHBondContact O-N 3.44Å; C119-S121 PolarHBondContact O-N 3.42Å; C119-S122 PolarHBondContact O-N 3.5Å; C119-S122 PolarHBondContact O-OG 3.23Å; C119-V123 HydrophobicContact CB-CG2 4.11Å; C119-V123 WeakPolarHBondContact O-CB 3.46Å; C119-V123 WeakPolarHBondContact O-CG2 3.48Å; C119-V123 PolarHBondContact O-N 3.16Å; C119-V123 VanDerWaalsContact O-N 3.14Å; C119-E198 HydrophobicContact CB-CG 4.02Å; C119-L202 HydrophobicContact CB-CD1 4.41Å; C119-L202 VanDerWaalsContact SG-CD1 3.57Å |
| 120 | R | 88.8 | Confident | 91 | Very high | 131 Ų | 131 | 62 Ų | 62 | 49% | 0.494 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.2 | -28.5 | -175 | -74.4 | -179.8 | 176.6 | 171.9 | 0.4 | 113.5 | L116 E117 C128 | L116-R120 WeakPolarHBondContact O-CG 3.03Å; L116-R120 PolarHBondContact O-N 3.36Å; E117-R120 WeakPolarHBondContact O-CB 3.14Å; E117-R120 PolarHBondContact O-N 2.96Å; R120-C128 HydrophobicContact CG-CB 4.28Å |
| 121 | S | 83.8 | Confident | 91.1 | Very high | 100 Ų | 100 | 59.7 Ų | 59.7 | 70% | 0.699 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -23.6 | -179.1 | 48.9 | 0 | 0 | 0 | 0 | 113.9 | A118 C119 | A118-S121 PolarHBondContact O-OG 3.07Å; C119-S121 PolarHBondContact O-N 3.42Å |
| 122 | S | 83.1 | Confident | 91.2 | Very high | 69 Ų | 69 | 60 Ų | 60 | 48% | 0.483 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -21 | -176.3 | 63.2 | 0 | 0 | 0 | 0 | 113.9 | C119 L202 | C119-S122 PolarHBondContact O-N 3.5Å; C119-S122 PolarHBondContact O-OG 3.23Å; S122-L202 VanDerWaalsContact CB-CD2 3.47Å; S122-L202 WeakPolarHBondContact OG-CD2 3.33Å |
| 123 | V | 86 | Confident | 91.4 | Very high | 22 Ų | 22 | 65.6 Ų | 65.6 | 13% | 0.133 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -113.1 | 154.1 | -168.9 | -164.6 | 0 | 0 | 0 | 0 | 111.4 | C119 A125 V127 E198 | C119-V123 HydrophobicContact CB-CG2 4.11Å; C119-V123 WeakPolarHBondContact O-CB 3.46Å; C119-V123 WeakPolarHBondContact O-CG2 3.48Å; C119-V123 PolarHBondContact O-N 3.16Å; C119-V123 VanDerWaalsContact O-N 3.14Å; V123-A125 PolarHBondContact O-N 2.87Å; V123-V127 HydrophobicContact CG1-CB 3.68Å; V123-V127 HydrophobicContact CG1-CG1 3.94Å; V123-V127 HydrophobicContact CG1-CG2 4.06Å; V123-E198 HydrophobicContact CB-CG 4.41Å; V123-E198 HydrophobicContact CG1-CG 4.38Å; V123-E198 HydrophobicContact CG2-CG 3.23Å; V123-E198 WeakPolarHBondContact CG2-OE1 3.22Å |
| 124 | R | 90.7 | Very high | 91.5 | Very high | 201 Ų | 201 | 66.8 Ų | 66.8 | 76% | 0.758 | 33% | 0.332 | S | S | * | . | trans | -56.5 | 133.6 | 169.8 | -61.4 | -168.8 | -166 | 97.4 | 1.7 | 110.9 | Q126 V127 C128 | R124-Q126 PolarHBondContact O-N 3.37Å; R124-V127 PolarHBondContact O-N 3Å; R124-C128 PolarHBondContact O-N 3.3Å | ||
| 125 | A | 91.3 | Very high | 91.8 | Very high | 69 Ų | 69 | 62.8 Ų | 62.8 | 57% | 0.57 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -51.9 | -32.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114 | V123 V127 C128 N129 | V123-A125 PolarHBondContact O-N 2.87Å; A125-V127 VanDerWaalsContact C-N 3.35Å; A125-V127 PolarHBondContact O-N 3.19Å; A125-C128 PolarHBondContact O-N 3.17Å; A125-N129 WeakPolarHBondContact O-CB 3.25Å; A125-N129 VanDerWaalsContact O-CG 3.25Å; A125-N129 PolarHBondContact O-N 3.44Å; A125-N129 PolarHBondContact O-ND2 3.16Å |
| 126 | Q | 93.6 | Very high | 92 | Very high | 152 Ų | 152 | 70.6 Ų | 70.6 | 71% | 0.71 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -60.2 | -41.7 | 176.1 | -178.2 | 178 | -14.7 | 0 | 0 | 112.8 | R124 N129 E130 | R124-Q126 PolarHBondContact O-N 3.37Å; Q126-N129 PolarHBondContact O-N 3.45Å; Q126-E130 PolarHBondContact O-N 3.03Å |
| 127 | V | 90.7 | Very high | 92.2 | Very high | 35 Ų | 35 | 73.9 Ų | 73.9 | 21% | 0.212 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -68.7 | -45.5 | 179.9 | -179.8 | 0 | 0 | 0 | 0 | 109.5 | V123 R124 A125 N129 E130 V131 R194 | V123-V127 HydrophobicContact CG1-CB 3.68Å; V123-V127 HydrophobicContact CG1-CG1 3.94Å; V123-V127 HydrophobicContact CG1-CG2 4.06Å; R124-V127 PolarHBondContact O-N 3Å; A125-V127 VanDerWaalsContact C-N 3.35Å; A125-V127 PolarHBondContact O-N 3.19Å; V127-N129 VanDerWaalsContact C-N 3.29Å; V127-N129 PolarHBondContact O-N 3.23Å; V127-E130 PolarHBondContact O-N 3.33Å; V127-V131 WeakPolarHBondContact O-CG2 3.41Å; V127-V131 PolarHBondContact O-N 3.46Å; V127-R194 HydrophobicContact CG1-CG 3.89Å |
| 128 | C | 93 | Very high | 92.5 | Very high | 6 Ų | 6 | 68.5 Ų | 68.5 | 4% | 0.041 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59 | -41.4 | 175.4 | -61.2 | 0 | 0 | 0 | 0 | 111.8 | L116 R120 R124 A125 V131 T132 | L116-C128 HydrophobicContact CD1-CB 4.21Å; R120-C128 HydrophobicContact CG-CB 4.28Å; R124-C128 PolarHBondContact O-N 3.3Å; A125-C128 PolarHBondContact O-N 3.17Å; C128-V131 PolarHBondContact O-N 2.92Å; C128-T132 WeakPolarHBondContact O-CB 3.29Å; C128-T132 PolarHBondContact O-N 3.35Å; C128-T132 PolarHBondContact O-OG1 3.34Å |
| 129 | N | 95.3 | Very high | 92.9 | Very high | 96 Ų | 96 | 70.2 Ų | 70.2 | 51% | 0.513 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.1 | -42.6 | 176.7 | -78.6 | -23.5 | 0 | 0 | 0 | 112.4 | A125 Q126 V127 T132 K133 | A125-N129 WeakPolarHBondContact O-CB 3.25Å; A125-N129 VanDerWaalsContact O-CG 3.25Å; A125-N129 PolarHBondContact O-N 3.44Å; A125-N129 PolarHBondContact O-ND2 3.16Å; Q126-N129 PolarHBondContact O-N 3.45Å; V127-N129 VanDerWaalsContact C-N 3.29Å; V127-N129 PolarHBondContact O-N 3.23Å; N129-T132 WeakPolarHBondContact O-CB 3.5Å; N129-T132 PolarHBondContact O-N 3.47Å; N129-K133 WeakPolarHBondContact O-CG 3.44Å; N129-K133 PolarHBondContact O-N 2.84Å |
| 130 | E | 95.7 | Very high | 93.4 | Very high | 75 Ų | 75 | 74.7 Ų | 74.7 | 35% | 0.35 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.2 | -44.7 | 175.2 | -82.1 | -60.8 | 116.2 | 0 | 0 | 111.9 | Q126 V127 T132 K133 R134 | Q126-E130 PolarHBondContact O-N 3.03Å; V127-E130 PolarHBondContact O-N 3.33Å; E130-T132 VanDerWaalsContact C-N 3.32Å; E130-T132 PolarHBondContact O-N 3.45Å; E130-K133 PolarHBondContact O-N 3.5Å; E130-K133 WeakPolarHBondContact OE1-CD 3Å; E130-K133 IonicContact OE1-NZ 3.34Å; E130-K133 PolarHBondContact OE1-NZ 3.4Å; E130-R134 WeakPolarHBondContact O-CG 3.47Å; E130-R134 PolarHBondContact O-N 3.24Å |
| 131 | V | 95.8 | Very high | 93.7 | Very high | 7 Ų | 7 | 69.1 Ų | 69.1 | 4% | 0.042 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.2 | -42.5 | 175.5 | 177.7 | 0 | 0 | 0 | 0 | 110.7 | L116 V127 C128 K133 R134 L135 R194 L195 | L116-V131 HydrophobicContact CD1-CB 3.88Å; L116-V131 HydrophobicContact CD1-CG1 3.79Å; V127-V131 WeakPolarHBondContact O-CG2 3.41Å; V127-V131 PolarHBondContact O-N 3.46Å; C128-V131 PolarHBondContact O-N 2.92Å; V131-K133 VanDerWaalsContact C-N 3.32Å; V131-K133 PolarHBondContact O-N 2.95Å; V131-R134 PolarHBondContact O-N 3.27Å; V131-R134 VanDerWaalsContact O-N 3.09Å; V131-L135 HydrophobicContact CG1-CD1 4.42Å; V131-L135 HydrophobicContact CG1-CG 4.33Å; V131-L135 WeakPolarHBondContact O-CG 3.37Å; V131-L135 PolarHBondContact O-N 3.27Å; V131-R194 HydrophobicContact CG2-CB 4.19Å; V131-R194 HydrophobicContact CG2-CG 4.06Å; V131-L195 HydrophobicContact CG1-CB 4.17Å; V131-L195 HydrophobicContact CG1-CD1 4.45Å |
| 132 | T | 96.3 | Very high | 94.2 | Very high | 20 Ų | 20 | 66 Ų | 66 | 12% | 0.123 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -55.2 | -47 | 175 | -52.1 | 0 | 0 | 0 | 0 | 111.4 | L116 C128 N129 E130 R134 L135 R136 | L116-T132 WeakPolarHBondContact CD2-OG1 3.43Å; C128-T132 WeakPolarHBondContact O-CB 3.29Å; C128-T132 PolarHBondContact O-N 3.35Å; C128-T132 PolarHBondContact O-OG1 3.34Å; N129-T132 WeakPolarHBondContact O-CB 3.5Å; N129-T132 PolarHBondContact O-N 3.47Å; E130-T132 VanDerWaalsContact C-N 3.32Å; E130-T132 PolarHBondContact O-N 3.45Å; T132-R134 VanDerWaalsContact C-N 3.31Å; T132-R134 PolarHBondContact O-N 3.19Å; T132-L135 PolarHBondContact O-N 2.96Å; T132-R136 WeakPolarHBondContact O-CG 3.36Å; T132-R136 PolarHBondContact O-N 3.15Å |
| 133 | K | 97.4 | Very high | 94.8 | Very high | 117 Ų | 117 | 70.1 Ų | 70.1 | 51% | 0.509 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.1 | -41.3 | 177.8 | -69.4 | 173.2 | -167.6 | 169.7 | 0 | 111.6 | N129 E130 V131 R136 L137 | N129-K133 WeakPolarHBondContact O-CG 3.44Å; N129-K133 PolarHBondContact O-N 2.84Å; E130-K133 PolarHBondContact O-N 3.5Å; E130-K133 WeakPolarHBondContact OE1-CD 3Å; E130-K133 IonicContact OE1-NZ 3.34Å; E130-K133 PolarHBondContact OE1-NZ 3.4Å; V131-K133 VanDerWaalsContact C-N 3.32Å; V131-K133 PolarHBondContact O-N 2.95Å; K133-R136 PolarHBondContact O-N 2.96Å; K133-L137 PolarHBondContact O-N 2.86Å; K133-L137 VanDerWaalsContact O-N 3.17Å |
| 134 | R | 97.2 | Very high | 95.3 | Very high | 81 Ų | 81 | 72 Ų | 72 | 31% | 0.306 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.6 | -38 | 178.5 | -61.9 | -68.5 | 172.7 | 158.5 | 1 | 111.9 | E130 V131 T132 R136 L137 L138 Q187 W188 | E130-R134 WeakPolarHBondContact O-CG 3.47Å; E130-R134 PolarHBondContact O-N 3.24Å; V131-R134 PolarHBondContact O-N 3.27Å; V131-R134 VanDerWaalsContact O-N 3.09Å; T132-R134 VanDerWaalsContact C-N 3.31Å; T132-R134 PolarHBondContact O-N 3.19Å; R134-R136 VanDerWaalsContact C-N 3.32Å; R134-R136 PolarHBondContact O-N 2.95Å; R134-L137 WeakPolarHBondContact O-CB 3.48Å; R134-L137 PolarHBondContact O-N 3.41Å; R134-L138 PolarHBondContact O-N 2.92Å; R134-Q187 WeakPolarHBondContact CD-O 3.45Å; R134-Q187 PolarHBondContact NH1-O 3.38Å; R134-W188 HydrophobicContact CB-CB 4.49Å; R134-W188 VanDerWaalsContact O-CB 3.26Å; R134-W188 WeakPolarHBondContact O-CB 3.42Å |
| 135 | L | 97.1 | Very high | 95.4 | Very high | 3 Ų | 3 | 65.5 Ų | 65.5 | 2% | 0.016 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.6 | -36.7 | 173.7 | -67.8 | -176.4 | 0 | 0 | 0 | 112.3 | M109 L112 L116 V131 T132 L138 E139 V192 | M109-L135 HydrophobicContact SD-CB 4.25Å; L112-L135 HydrophobicContact CB-CD1 4.1Å; L112-L135 HydrophobicContact CB-CD2 4.04Å; L112-L135 HydrophobicContact CD1-CD2 3.95Å; L112-L135 HydrophobicContact CG-CD2 4.46Å; L116-L135 HydrophobicContact CD2-CD1 4.06Å; V131-L135 HydrophobicContact CG1-CD1 4.42Å; V131-L135 HydrophobicContact CG1-CG 4.33Å; V131-L135 WeakPolarHBondContact O-CG 3.37Å; V131-L135 PolarHBondContact O-N 3.27Å; T132-L135 PolarHBondContact O-N 2.96Å; L135-L138 HydrophobicContact CD2-CD2 4.35Å; L135-L138 WeakPolarHBondContact O-CB 3.49Å; L135-L138 PolarHBondContact O-N 3.45Å; L135-E139 PolarHBondContact O-N 3.23Å; L135-V192 HydrophobicContact CD2-CG2 4.37Å |
| 136 | R | 97.1 | Very high | 95.5 | Very high | 163 Ų | 163 | 69.4 Ų | 69.4 | 62% | 0.615 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -62 | -42.7 | 172.1 | -68.3 | 179.1 | -174.9 | -172.8 | -0 | 112.2 | T132 K133 R134 L138 E139 D140 | T132-R136 WeakPolarHBondContact O-CG 3.36Å; T132-R136 PolarHBondContact O-N 3.15Å; K133-R136 PolarHBondContact O-N 2.96Å; R134-R136 VanDerWaalsContact C-N 3.32Å; R134-R136 PolarHBondContact O-N 2.95Å; R136-L138 VanDerWaalsContact C-N 3.3Å; R136-L138 PolarHBondContact O-N 2.99Å; R136-E139 WeakPolarHBondContact O-CB 3.42Å; R136-E139 PolarHBondContact O-N 3.46Å; R136-E139 VanDerWaalsContact O-N 3.16Å; R136-D140 VanDerWaalsContact O-CG 3.27Å; R136-D140 PolarHBondContact O-N 3.07Å |
| 137 | L | 97 | Very high | 95.5 | Very high | 71 Ų | 71 | 63.1 Ų | 63.1 | 37% | 0.372 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63 | -36.2 | 175.5 | -66.8 | 177.5 | 0 | 0 | 0 | 112.7 | K133 R134 S141 W188 | K133-L137 PolarHBondContact O-N 2.86Å; K133-L137 VanDerWaalsContact O-N 3.17Å; R134-L137 WeakPolarHBondContact O-CB 3.48Å; R134-L137 PolarHBondContact O-N 3.41Å; L137-S141 WeakPolarHBondContact O-CB 3.49Å; L137-S141 PolarHBondContact O-N 3.06Å; L137-S141 PolarHBondContact O-OG 3.37Å; L137-W188 HydrophobicContact CB-CB 4.19Å |
| 138 | L | 96.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.1 | -49.6 | 171.6 | 165.2 | 63.5 | 0 | 0 | 0 | 110.4 | M109 L112 R134 L135 R136 D140 S141 W142 L147 M155 W188 | M109-L138 HydrophobicContact CE-CB 4.43Å; M109-L138 HydrophobicContact CE-CD2 3.8Å; M109-L138 HydrophobicContact CE-CG 3.85Å; L112-L138 HydrophobicContact CD1-CD2 3.72Å; R134-L138 PolarHBondContact O-N 2.92Å; L135-L138 HydrophobicContact CD2-CD2 4.35Å; L135-L138 WeakPolarHBondContact O-CB 3.49Å; L135-L138 PolarHBondContact O-N 3.45Å; R136-L138 VanDerWaalsContact C-N 3.3Å; R136-L138 PolarHBondContact O-N 2.99Å; L138-D140 PolarHBondContact O-N 3.26Å; L138-S141 PolarHBondContact O-N 3.48Å; L138-W142 HydrophobicContact CD1-CE3 4.13Å; L138-W142 WeakPolarHBondContact O-CB 3.44Å; L138-W142 PolarHBondContact O-N 3.36Å; L138-L147 HydrophobicContact CD1-CD1 3.9Å; L138-M155 HydrophobicContact CD2-CE 3.85Å; L138-M155 HydrophobicContact CD2-SD 4.49Å; L138-W188 HydrophobicContact CB-CB 4.12Å; L138-W188 HydrophobicContact CB-CD2 3.85Å; L138-W188 HydrophobicContact CB-CE3 4.06Å; L138-W188 HydrophobicContact CB-CG 3.87Å; L138-W188 HydrophobicContact CD1-CD2 3.82Å; L138-W188 HydrophobicContact CD1-CE3 3.89Å; L138-W188 HydrophobicContact CD1-CH2 3.67Å; L138-W188 HydrophobicContact CD1-CZ2 3.58Å; L138-W188 HydrophobicContact CD1-CZ3 3.82Å; L138-W188 HydrophobicContact CD2-CE3 4.21Å; L138-W188 HydrophobicContact CD2-CZ3 4.26Å; L138-W188 HydrophobicContact CG-CD2 4.33Å; L138-W188 HydrophobicContact CG-CE3 4.28Å |
| 139 | E | 97 | Very high | 95.8 | Very high | 54 Ų | 54 | 66.2 Ų | 66.2 | 25% | 0.252 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -58.5 | -47.6 | 177.9 | -166.5 | -176.1 | 144.7 | 0 | 0 | 111.7 | L105 M109 L135 R136 S141 W142 R143 | L105-E139 HydrophobicContact CD2-CG 4.46Å; M109-E139 HydrophobicContact CE-CB 3.84Å; M109-E139 HydrophobicContact CE-CG 4.41Å; L135-E139 PolarHBondContact O-N 3.23Å; R136-E139 WeakPolarHBondContact O-CB 3.42Å; R136-E139 PolarHBondContact O-N 3.46Å; R136-E139 VanDerWaalsContact O-N 3.16Å; E139-S141 VanDerWaalsContact C-N 3.32Å; E139-S141 PolarHBondContact O-N 2.92Å; E139-W142 PolarHBondContact O-N 3Å; E139-R143 HydrophobicContact CG-CG 4.38Å; E139-R143 WeakPolarHBondContact O-CB 3.39Å; E139-R143 WeakPolarHBondContact O-CG 3.49Å; E139-R143 PolarHBondContact O-N 3Å; E139-R143 IonicContact OE1-CZ 3.28Å; E139-R143 VanDerWaalsContact OE1-CZ 3.28Å; E139-R143 IonicContact OE1-NE 2.78Å; E139-R143 PolarHBondContact OE1-NE 2.9Å; E139-R143 IonicContact OE1-NH2 2.87Å; E139-R143 PolarHBondContact OE1-NH2 2.87Å |
| 140 | D | 97.2 | Very high | 95.8 | Very high | 96 Ų | 96 | 64.4 Ų | 64.4 | 51% | 0.513 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.1 | -41.9 | 177.5 | -69.4 | -34 | 0 | 0 | 0 | 111.6 | R136 L138 S144 | R136-D140 VanDerWaalsContact O-CG 3.27Å; R136-D140 PolarHBondContact O-N 3.07Å; L138-D140 PolarHBondContact O-N 3.26Å; D140-S144 VanDerWaalsContact O-CB 3.22Å; D140-S144 WeakPolarHBondContact O-CB 3.43Å; D140-S144 PolarHBondContact O-N 3.26Å; D140-S144 PolarHBondContact O-OG 3.26Å |
| 141 | S | 95.5 | Very high | 95.8 | Very high | 14 Ų | 14 | 60.8 Ų | 60.8 | 10% | 0.098 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.4 | -38.8 | 179.1 | -59 | 0 | 0 | 0 | 0 | 111.7 | L137 L138 E139 S144 G145 K146 | L137-S141 WeakPolarHBondContact O-CB 3.49Å; L137-S141 PolarHBondContact O-N 3.06Å; L137-S141 PolarHBondContact O-OG 3.37Å; L138-S141 PolarHBondContact O-N 3.48Å; E139-S141 VanDerWaalsContact C-N 3.32Å; E139-S141 PolarHBondContact O-N 2.92Å; S141-S144 WeakPolarHBondContact CA-OG 3.41Å; S141-S144 PolarHBondContact O-OG 3.22Å; S141-G145 PolarHBondContact O-N 3.4Å; S141-K146 PolarHBondContact O-N 2.87Å |
| 142 | W | 95.2 | Very high | 95.8 | Very high | 34 Ų | 34 | 60.8 Ų | 60.8 | 13% | 0.129 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -71.1 | -48.6 | 177.8 | -157.4 | -44.8 | 0 | 0 | 0 | 111.5 | P103 L105 V108 L138 E139 S144 G145 L147 T152 M155 | P103-W142 HydrophobicContact CB-CZ2 4.29Å; P103-W142 HydrophobicContact CG-CZ2 4.17Å; L105-W142 HydrophobicContact CD1-CB 3.7Å; L105-W142 HydrophobicContact CD1-CD2 3.56Å; L105-W142 HydrophobicContact CD1-CE3 3.84Å; L105-W142 HydrophobicContact CD1-CG 3.53Å; V108-W142 HydrophobicContact CB-CH2 4.31Å; V108-W142 HydrophobicContact CB-CZ3 4.42Å; V108-W142 HydrophobicContact CG1-CH2 4.3Å; V108-W142 HydrophobicContact CG1-CZ3 4.04Å; V108-W142 HydrophobicContact CG2-CH2 4.09Å; L138-W142 HydrophobicContact CD1-CE3 4.13Å; L138-W142 WeakPolarHBondContact O-CB 3.44Å; L138-W142 PolarHBondContact O-N 3.36Å; E139-W142 PolarHBondContact O-N 3Å; W142-S144 VanDerWaalsContact C-N 3.27Å; W142-S144 PolarHBondContact O-N 2.75Å; W142-G145 PolarHBondContact O-N 3.46Å; W142-L147 HydrophobicContact CB-CD1 3.66Å; W142-L147 HydrophobicContact CB-CG 4.43Å; W142-L147 HydrophobicContact CD2-CD1 3.98Å; W142-L147 HydrophobicContact CE3-CD1 3.86Å; W142-L147 HydrophobicContact CG-CD1 3.91Å; W142-T152 HydrophobicContact CD2-CG2 3.89Å; W142-T152 VanDerWaalsContact CE2-CG2 3.42Å; W142-T152 HydrophobicContact CE3-CG2 4.42Å; W142-T152 HydrophobicContact CG-CG2 4.4Å; W142-T152 HydrophobicContact CH2-CG2 4.16Å; W142-T152 HydrophobicContact CZ2-CG2 3.6Å; W142-M155 HydrophobicContact CH2-CB 4.25Å; W142-M155 HydrophobicContact CZ3-CB 3.89Å; W142-M155 HydrophobicContact CZ3-CG 3.86Å |
| 143 | R | 95.5 | Very high | 95.8 | Very high | 156 Ų | 156 | 63.2 Ų | 63.2 | 59% | 0.589 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -63.7 | -31.9 | 178.4 | -70.7 | -173.1 | -173.3 | -72.8 | -1.2 | 112.9 | L105 E139 G145 | L105-R143 HydrophobicContact CD2-CG 3.62Å; E139-R143 HydrophobicContact CG-CG 4.38Å; E139-R143 WeakPolarHBondContact O-CB 3.39Å; E139-R143 WeakPolarHBondContact O-CG 3.49Å; E139-R143 PolarHBondContact O-N 3Å; E139-R143 IonicContact OE1-CZ 3.28Å; E139-R143 VanDerWaalsContact OE1-CZ 3.28Å; E139-R143 IonicContact OE1-NE 2.78Å; E139-R143 PolarHBondContact OE1-NE 2.9Å; E139-R143 IonicContact OE1-NH2 2.87Å; E139-R143 PolarHBondContact OE1-NH2 2.87Å; R143-G145 PolarHBondContact O-N 3.23Å |
| 144 | S | 95.4 | Very high | 95.7 | Very high | 63 Ų | 63 | 60.9 Ų | 60.9 | 44% | 0.441 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -1 | 174.7 | 59.1 | 0 | 0 | 0 | 0 | 113.8 | D140 S141 W142 K146 | D140-S144 VanDerWaalsContact O-CB 3.22Å; D140-S144 WeakPolarHBondContact O-CB 3.43Å; D140-S144 PolarHBondContact O-N 3.26Å; D140-S144 PolarHBondContact O-OG 3.26Å; S141-S144 WeakPolarHBondContact CA-OG 3.41Å; S141-S144 PolarHBondContact O-OG 3.22Å; W142-S144 VanDerWaalsContact C-N 3.27Å; W142-S144 PolarHBondContact O-N 2.75Å; S144-K146 PolarHBondContact O-N 3.14Å; S144-K146 WeakPolarHBondContact OG-CD 3.23Å; S144-K146 WeakPolarHBondContact OG-CE 3.49Å; S144-K146 WeakPolarHBondContact OG-CG 3.4Å |
| 145 | G | 93 | Very high | 95.6 | Very high | 64 Ų | 64 | 57 Ų | 57 | 66% | 0.66 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.6 | 21.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | S141 W142 R143 L147 | S141-G145 PolarHBondContact O-N 3.4Å; W142-G145 PolarHBondContact O-N 3.46Å; R143-G145 PolarHBondContact O-N 3.23Å; G145-L147 VanDerWaalsContact C-N 3.34Å |
| 146 | K | 93.5 | Very high | 95.6 | Very high | 151 Ų | 151 | 58.8 Ų | 58.8 | 66% | 0.657 | 30% | 0.295 | S | S | * | . | trans | -83.4 | -13 | 180 | -66.7 | 177.1 | -174.1 | 173.6 | 0 | 113.3 | S141 S144 | S141-K146 PolarHBondContact O-N 2.87Å; S144-K146 PolarHBondContact O-N 3.14Å; S144-K146 WeakPolarHBondContact OG-CD 3.23Å; S144-K146 WeakPolarHBondContact OG-CE 3.49Å; S144-K146 WeakPolarHBondContact OG-CG 3.4Å | ||
| 147 | L | 94.9 | Very high | 95.5 | Very high | 19 Ų | 19 | 54.3 Ų | 54.3 | 10% | 0.099 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -92.2 | 128 | 178.7 | -57.2 | -175.9 | 0 | 0 | 0 | 109.9 | L138 W142 G145 V151 T152 E184 W188 | L138-L147 HydrophobicContact CD1-CD1 3.9Å; W142-L147 HydrophobicContact CB-CD1 3.66Å; W142-L147 HydrophobicContact CB-CG 4.43Å; W142-L147 HydrophobicContact CD2-CD1 3.98Å; W142-L147 HydrophobicContact CE3-CD1 3.86Å; W142-L147 HydrophobicContact CG-CD1 3.91Å; G145-L147 VanDerWaalsContact C-N 3.34Å; L147-V151 HydrophobicContact CB-CG1 4.37Å; L147-V151 HydrophobicContact CD1-CG1 4.48Å; L147-V151 HydrophobicContact CD2-CG1 4.23Å; L147-T152 HydrophobicContact CB-CG2 3.86Å; L147-E184 WeakPolarHBondContact CA-OE2 3.47Å; L147-E184 HydrophobicContact CD2-CB 4.34Å; L147-W188 HydrophobicContact CD2-CZ2 4.27Å |
| 148 | S | 95.1 | Very high | 95.5 | Very high | 37 Ų | 37 | 50.9 Ų | 50.9 | 26% | 0.259 | 27% | 0.268 | S | S | . | . | trans | -70.3 | 153.8 | 173.9 | 63.4 | 0 | 0 | 0 | 0 | 111.7 | P150 V151 T152 E184 | S148-P150 VanDerWaalsContact C-CD 3.41Å; S148-P150 VanDerWaalsContact C-N 3.33Å; S148-V151 WeakPolarHBondContact O-CA 3.48Å; S148-V151 WeakPolarHBondContact O-CB 3.15Å; S148-V151 PolarHBondContact O-N 3.28Å; S148-V151 WeakPolarHBondContact OG-CG2 3.21Å; S148-T152 PolarHBondContact O-N 2.87Å; S148-T152 VanDerWaalsContact O-N 3.07Å; S148-E184 WeakPolarHBondContact CB-OE2 3.49Å; S148-E184 PolarHBondContact N-OE2 3.36Å; S148-E184 PolarHBondContact OG-OE1 3.04Å; S148-E184 PolarHBondContact OG-OE2 3.33Å; S148-E184 VanDerWaalsContact OG-OE2 3.12Å | ||
| 149 | L | 94 | Very high | 95.4 | Very high | 69 Ų | 69 | 51 Ų | 51 | 36% | 0.361 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -54.6 | -38.6 | 179 | -177.6 | 61.2 | 0 | 0 | 0 | 114.2 | E102 V151 T152 R153 | E102-L149 WeakPolarHBondContact OE1-CD1 3.45Å; L149-V151 VanDerWaalsContact C-N 3.28Å; L149-V151 PolarHBondContact O-N 3.45Å; L149-T152 WeakPolarHBondContact CA-OG1 3.35Å; L149-T152 PolarHBondContact O-N 3.3Å; L149-T152 PolarHBondContact O-OG1 3.43Å; L149-R153 HydrophobicContact CD1-CG 4.08Å; L149-R153 HydrophobicContact CG-CG 4.45Å; L149-R153 WeakPolarHBondContact O-CB 3.34Å; L149-R153 VanDerWaalsContact O-CG 3.29Å; L149-R153 WeakPolarHBondContact O-CG 3.43Å; L149-R153 PolarHBondContact O-N 3.06Å |
| 150 | P | 94.8 | Very high | 95.3 | Very high | 58 Ų | 58 | 53.1 Ų | 53.1 | 38% | 0.377 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.1 | -36.8 | 173.4 | -23.9 | 35.3 | 0 | 0 | 0 | 112.9 | S148 R154 | S148-P150 VanDerWaalsContact C-CD 3.41Å; S148-P150 VanDerWaalsContact C-N 3.33Å; P150-R154 WeakPolarHBondContact O-CB 3.33Å; P150-R154 VanDerWaalsContact O-CG 3.31Å; P150-R154 WeakPolarHBondContact O-CG 3.48Å; P150-R154 PolarHBondContact O-N 3.07Å |
| 151 | V | 96.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.7 | -48.1 | 178.7 | 173.4 | 0 | 0 | 0 | 0 | 110.7 | L147 S148 L149 R153 R154 M155 L177 H181 E184 V185 W188 | L147-V151 HydrophobicContact CB-CG1 4.37Å; L147-V151 HydrophobicContact CD1-CG1 4.48Å; L147-V151 HydrophobicContact CD2-CG1 4.23Å; S148-V151 WeakPolarHBondContact O-CA 3.48Å; S148-V151 WeakPolarHBondContact O-CB 3.15Å; S148-V151 PolarHBondContact O-N 3.28Å; S148-V151 WeakPolarHBondContact OG-CG2 3.21Å; L149-V151 VanDerWaalsContact C-N 3.28Å; L149-V151 PolarHBondContact O-N 3.45Å; V151-R153 VanDerWaalsContact C-N 3.33Å; V151-R153 PolarHBondContact O-N 2.97Å; V151-R154 PolarHBondContact O-N 2.68Å; V151-M155 WeakPolarHBondContact O-CB 3.47Å; V151-M155 PolarHBondContact O-N 2.69Å; V151-L177 HydrophobicContact CB-CD2 4.22Å; V151-L177 HydrophobicContact CG1-CD2 4.08Å; V151-L177 HydrophobicContact CG2-CD2 4.09Å; V151-H181 HydrophobicContact CG2-CB 3.47Å; V151-H181 VanDerWaalsContact CG2-CB 3.47Å; V151-H181 VanDerWaalsContact CG2-CG 3.45Å; V151-E184 HydrophobicContact CG2-CB 4.48Å; V151-V185 HydrophobicContact CG1-CG1 3.79Å; V151-V185 HydrophobicContact CG2-CG1 4.31Å; V151-W188 HydrophobicContact CG1-CZ2 4.27Å |
| 152 | T | 95.7 | Very high | 95 | Very high | 7 Ų | 7 | 50 Ų | 50 | 4% | 0.043 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.8 | -41 | -179.2 | 59.3 | 0 | 0 | 0 | 0 | 111.5 | P103 W142 L147 S148 L149 M155 D156 | P103-T152 WeakPolarHBondContact CG-OG1 3.26Å; W142-T152 HydrophobicContact CD2-CG2 3.89Å; W142-T152 VanDerWaalsContact CE2-CG2 3.42Å; W142-T152 HydrophobicContact CE3-CG2 4.42Å; W142-T152 HydrophobicContact CG-CG2 4.4Å; W142-T152 HydrophobicContact CH2-CG2 4.16Å; W142-T152 HydrophobicContact CZ2-CG2 3.6Å; L147-T152 HydrophobicContact CB-CG2 3.86Å; S148-T152 PolarHBondContact O-N 2.87Å; S148-T152 VanDerWaalsContact O-N 3.07Å; L149-T152 WeakPolarHBondContact CA-OG1 3.35Å; L149-T152 PolarHBondContact O-N 3.3Å; L149-T152 PolarHBondContact O-OG1 3.43Å; T152-M155 PolarHBondContact O-N 2.85Å; T152-D156 PolarHBondContact O-N 3.46Å |
| 153 | R | 95.3 | Very high | 94.8 | Very high | 70 Ų | 70 | 51.2 Ų | 51.2 | 26% | 0.264 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.4 | -43 | 175.9 | -72.5 | 179.2 | 178.4 | -161.4 | 2.4 | 113.3 | Q100 P103 L149 V151 M155 D156 V157 | Q100-R153 VanDerWaalsContact OE1-CZ 3.31Å; P103-R153 HydrophobicContact CG-CG 4.05Å; L149-R153 HydrophobicContact CD1-CG 4.08Å; L149-R153 HydrophobicContact CG-CG 4.45Å; L149-R153 WeakPolarHBondContact O-CB 3.34Å; L149-R153 VanDerWaalsContact O-CG 3.29Å; L149-R153 WeakPolarHBondContact O-CG 3.43Å; L149-R153 PolarHBondContact O-N 3.06Å; V151-R153 VanDerWaalsContact C-N 3.33Å; V151-R153 PolarHBondContact O-N 2.97Å; R153-M155 VanDerWaalsContact C-N 3.26Å; R153-M155 PolarHBondContact O-N 2.99Å; R153-D156 WeakPolarHBondContact O-CB 3.26Å; R153-D156 PolarHBondContact O-N 3.47Å; R153-V157 WeakPolarHBondContact O-CG2 3.42Å; R153-V157 PolarHBondContact O-N 3.4Å |
| 154 | R | 95.6 | Very high | 94.4 | Very high | 68 Ų | 68 | 45.8 Ų | 45.8 | 26% | 0.257 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.6 | -32 | 175.2 | -76.8 | -179.9 | -169.5 | 169.3 | 1.2 | 111.9 | P150 V151 D156 V157 L158 S176 L177 D180 H181 | P150-R154 WeakPolarHBondContact O-CB 3.33Å; P150-R154 VanDerWaalsContact O-CG 3.31Å; P150-R154 WeakPolarHBondContact O-CG 3.48Å; P150-R154 PolarHBondContact O-N 3.07Å; V151-R154 PolarHBondContact O-N 2.68Å; R154-D156 VanDerWaalsContact C-N 3.35Å; R154-V157 PolarHBondContact O-N 3.31Å; R154-L158 WeakPolarHBondContact O-CB 3.42Å; R154-L158 PolarHBondContact O-N 3.46Å; R154-S176 PolarHBondContact NE-OG 3.36Å; R154-S176 PolarHBondContact NH1-O 2.87Å; R154-S176 PolarHBondContact NH1-OG 3.22Å; R154-S176 VanDerWaalsContact NH1-OG 3.09Å; R154-L177 HydrophobicContact CB-CD1 4.06Å; R154-L177 HydrophobicContact CB-CD2 3.7Å; R154-L177 HydrophobicContact CB-CG 3.88Å; R154-L177 HydrophobicContact CG-CD2 4.39Å; R154-D180 IonicContact CZ-OD2 3.19Å; R154-D180 IonicContact NH1-OD2 2.77Å; R154-D180 PolarHBondContact NH1-OD2 2.78Å; R154-D180 IonicContact NH2-OD2 2.76Å; R154-D180 PolarHBondContact NH2-OD2 2.97Å; R154-H181 PolarHBondContact NH1-ND1 2.67Å |
| 155 | M | 96.4 | Very high | 94 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.5 | -36.8 | 174.9 | -163.9 | 63.8 | -157.6 | 0 | 0 | 111.8 | V108 L112 L138 W142 V151 T152 R153 L158 S159 W188 V192 | V108-M155 HydrophobicContact CG1-CG 3.79Å; L112-M155 HydrophobicContact CD1-CE 3.31Å; L112-M155 HydrophobicContact CD2-CE 3.72Å; L112-M155 HydrophobicContact CG-CE 4.08Å; L138-M155 HydrophobicContact CD2-CE 3.85Å; L138-M155 HydrophobicContact CD2-SD 4.49Å; W142-M155 HydrophobicContact CH2-CB 4.25Å; W142-M155 HydrophobicContact CZ3-CB 3.89Å; W142-M155 HydrophobicContact CZ3-CG 3.86Å; V151-M155 WeakPolarHBondContact O-CB 3.47Å; V151-M155 PolarHBondContact O-N 2.69Å; T152-M155 PolarHBondContact O-N 2.85Å; R153-M155 VanDerWaalsContact C-N 3.26Å; R153-M155 PolarHBondContact O-N 2.99Å; M155-L158 HydrophobicContact CE-CD2 3.92Å; M155-L158 PolarHBondContact O-N 2.77Å; M155-L158 HydrophobicContact SD-CD1 4.33Å; M155-L158 HydrophobicContact SD-CD2 4.45Å; M155-S159 WeakPolarHBondContact O-CB 3.31Å; M155-S159 PolarHBondContact O-N 3.24Å; M155-W188 HydrophobicContact CE-CZ3 4.49Å; M155-W188 HydrophobicContact SD-CH2 4.02Å; M155-W188 HydrophobicContact SD-CZ3 3.85Å; M155-V192 HydrophobicContact CE-CG1 4.15Å; M155-V192 HydrophobicContact CE-CG2 4.08Å |
| 156 | D | 95.8 | Very high | 94 | Very high | 39 Ų | 39 | 45.6 Ų | 45.6 | 21% | 0.209 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.5 | -50.9 | 170.7 | -179.9 | 75.6 | 0 | 0 | 0 | 111.6 | P103 V108 T152 R153 R154 L158 S159 Q160 | P103-D156 HydrophobicContact CB-CB 3.72Å; V108-D156 HydrophobicContact CG2-CB 3.98Å; T152-D156 PolarHBondContact O-N 3.46Å; R153-D156 WeakPolarHBondContact O-CB 3.26Å; R153-D156 PolarHBondContact O-N 3.47Å; R154-D156 VanDerWaalsContact C-N 3.35Å; D156-L158 VanDerWaalsContact C-N 3.34Å; D156-L158 PolarHBondContact O-N 3.18Å; D156-S159 WeakPolarHBondContact O-CB 3.16Å; D156-S159 PolarHBondContact O-N 3.13Å; D156-S159 VanDerWaalsContact O-N 3.07Å; D156-S159 PolarHBondContact O-OG 2.82Å; D156-Q160 WeakPolarHBondContact O-CG 3.41Å; D156-Q160 PolarHBondContact O-N 3.32Å; D156-Q160 PolarHBondContact OD2-NE2 2.98Å |
| 157 | V | 95.6 | Very high | 94 | Very high | 69 Ų | 69 | 40.9 Ų | 40.9 | 42% | 0.418 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -56.2 | -47 | 173.6 | 174.3 | 0 | 0 | 0 | 0 | 111.6 | R153 R154 S159 Q160 E161 | R153-V157 WeakPolarHBondContact O-CG2 3.42Å; R153-V157 PolarHBondContact O-N 3.4Å; R154-V157 PolarHBondContact O-N 3.31Å; V157-S159 VanDerWaalsContact C-N 3.26Å; V157-S159 PolarHBondContact O-N 2.76Å; V157-Q160 PolarHBondContact O-N 3.09Å; V157-Q160 VanDerWaalsContact O-N 3.16Å; V157-E161 HydrophobicContact CG1-CG 4.31Å; V157-E161 WeakPolarHBondContact O-CG 3.36Å; V157-E161 PolarHBondContact O-N 3.46Å |
| 158 | L | 96.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.2 | -42.3 | 177.5 | -175.5 | 157.6 | 0 | 0 | 0 | 111.2 | L112 R154 M155 D156 E161 L162 A173 H174 V192 I196 | L112-L158 HydrophobicContact CD2-CD2 4.37Å; R154-L158 WeakPolarHBondContact O-CB 3.42Å; R154-L158 PolarHBondContact O-N 3.46Å; M155-L158 HydrophobicContact CE-CD2 3.92Å; M155-L158 PolarHBondContact O-N 2.77Å; M155-L158 HydrophobicContact SD-CD1 4.33Å; M155-L158 HydrophobicContact SD-CD2 4.45Å; D156-L158 VanDerWaalsContact C-N 3.34Å; D156-L158 PolarHBondContact O-N 3.18Å; L158-E161 PolarHBondContact O-N 3.05Å; L158-L162 VanDerWaalsContact O-CB 3.29Å; L158-L162 WeakPolarHBondContact O-CB 3.37Å; L158-L162 PolarHBondContact O-N 2.89Å; L158-A173 HydrophobicContact CB-CB 4.02Å; L158-A173 HydrophobicContact CD1-CB 4.38Å; L158-A173 HydrophobicContact CG-CB 4.44Å; L158-H174 HydrophobicContact CD1-CB 4.2Å; L158-V192 HydrophobicContact CD1-CG1 3.91Å; L158-V192 HydrophobicContact CD2-CG1 3.81Å; L158-I196 HydrophobicContact CD1-CD1 4.29Å |
| 159 | S | 95.5 | Very high | 93.9 | Very high | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.014 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.2 | -40.7 | 178.4 | 78.2 | 0 | 0 | 0 | 0 | 112.2 | V111 M155 D156 V157 L162 Q163 | V111-S159 WeakPolarHBondContact CG1-O 3.38Å; M155-S159 WeakPolarHBondContact O-CB 3.31Å; M155-S159 PolarHBondContact O-N 3.24Å; D156-S159 WeakPolarHBondContact O-CB 3.16Å; D156-S159 PolarHBondContact O-N 3.13Å; D156-S159 VanDerWaalsContact O-N 3.07Å; D156-S159 PolarHBondContact O-OG 2.82Å; V157-S159 VanDerWaalsContact C-N 3.26Å; V157-S159 PolarHBondContact O-N 2.76Å; S159-L162 WeakPolarHBondContact O-CB 3.06Å; S159-L162 PolarHBondContact O-N 3.32Å; S159-Q163 WeakPolarHBondContact O-CB 3.29Å; S159-Q163 PolarHBondContact O-N 3.16Å |
| 160 | Q | 94.6 | Very high | 94 | Very high | 98 Ų | 98 | 44.2 Ų | 44.2 | 46% | 0.458 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.5 | -45.8 | 175.6 | -66.3 | 179.9 | 61.6 | 0 | 0 | 111.6 | D156 V157 L162 Q163 A164 | D156-Q160 WeakPolarHBondContact O-CG 3.41Å; D156-Q160 PolarHBondContact O-N 3.32Å; D156-Q160 PolarHBondContact OD2-NE2 2.98Å; V157-Q160 PolarHBondContact O-N 3.09Å; V157-Q160 VanDerWaalsContact O-N 3.16Å; Q160-L162 VanDerWaalsContact C-N 3.34Å; Q160-L162 PolarHBondContact O-N 2.99Å; Q160-Q163 WeakPolarHBondContact O-CB 3.46Å; Q160-Q163 PolarHBondContact O-N 3.42Å; Q160-Q163 VanDerWaalsContact O-N 3.16Å; Q160-A164 WeakPolarHBondContact O-CB 3.36Å; Q160-A164 PolarHBondContact O-N 3.16Å |
| 161 | E | 94.1 | Very high | 94 | Very high | 44 Ų | 44 | 43.4 Ų | 43.4 | 21% | 0.206 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.9 | -38.1 | 177.3 | -64.8 | -56.3 | 124.6 | 0 | 0 | 111.9 | V157 L158 Q163 A164 G165 H166 S169 A170 | V157-E161 HydrophobicContact CG1-CG 4.31Å; V157-E161 WeakPolarHBondContact O-CG 3.36Å; V157-E161 PolarHBondContact O-N 3.46Å; L158-E161 PolarHBondContact O-N 3.05Å; E161-Q163 VanDerWaalsContact C-N 3.29Å; E161-Q163 PolarHBondContact O-N 3.28Å; E161-A164 PolarHBondContact O-N 2.74Å; E161-G165 PolarHBondContact O-N 2.96Å; E161-H166 HydrophobicContact CB-CB 4.33Å; E161-H166 PolarHBondContact O-N 3.27Å; E161-H166 WeakPolarHBondContact OE2-CB 3.34Å; E161-H166 IonicContact OE2-CG 3.44Å; E161-H166 IonicContact OE2-ND1 2.93Å; E161-H166 PolarHBondContact OE2-ND1 3.39Å; E161-S169 WeakPolarHBondContact OE2-CB 3.4Å; E161-S169 PolarHBondContact OE2-OG 2.93Å; E161-A170 HydrophobicContact CB-CB 4.05Å |
| 162 | L | 92.4 | Very high | 94 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.7 | -38.2 | 173.9 | -165.5 | 79.8 | 0 | 0 | 0 | 111.4 | L112 A115 L158 S159 Q160 G165 W167 L195 I196 | L112-L162 HydrophobicContact CD2-CD2 3.96Å; A115-L162 HydrophobicContact CB-CD2 3.62Å; A115-L162 HydrophobicContact CB-CG 4.4Å; L158-L162 VanDerWaalsContact O-CB 3.29Å; L158-L162 WeakPolarHBondContact O-CB 3.37Å; L158-L162 PolarHBondContact O-N 2.89Å; S159-L162 WeakPolarHBondContact O-CB 3.06Å; S159-L162 PolarHBondContact O-N 3.32Å; Q160-L162 VanDerWaalsContact C-N 3.34Å; Q160-L162 PolarHBondContact O-N 2.99Å; L162-G165 PolarHBondContact O-N 3.4Å; L162-W167 HydrophobicContact CD1-CE3 3.9Å; L162-W167 HydrophobicContact CD1-CZ3 3.51Å; L162-W167 HydrophobicContact CG-CZ3 4Å; L162-W167 WeakPolarHBondContact O-CH2 3.37Å; L162-W167 WeakPolarHBondContact O-CZ3 3.48Å; L162-L195 HydrophobicContact CD2-CD2 4.2Å; L162-I196 HydrophobicContact CD1-CG1 3.93Å |
| 163 | Q | 90.4 | Very high | 94.1 | Very high | 60 Ų | 60 | 48.5 Ų | 48.5 | 28% | 0.28 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -69.8 | -43.3 | 177.3 | -169.4 | 176.8 | 36 | 0 | 0 | 111.9 | V111 S159 Q160 E161 G165 L210 Q211 | V111-Q163 HydrophobicContact CG1-CB 4.08Å; S159-Q163 WeakPolarHBondContact O-CB 3.29Å; S159-Q163 PolarHBondContact O-N 3.16Å; Q160-Q163 WeakPolarHBondContact O-CB 3.46Å; Q160-Q163 PolarHBondContact O-N 3.42Å; Q160-Q163 VanDerWaalsContact O-N 3.16Å; E161-Q163 VanDerWaalsContact C-N 3.29Å; E161-Q163 PolarHBondContact O-N 3.28Å; Q163-G165 PolarHBondContact O-N 3.11Å; Q163-L210 HydrophobicContact CG-CB 4.34Å; Q163-L210 WeakPolarHBondContact CG-O 3.46Å; Q163-L210 PolarHBondContact NE2-O 2.83Å; Q163-Q211 WeakPolarHBondContact O-CG 3.49Å |
| 164 | A | 88.4 | Confident | 94.2 | Very high | 42 Ų | 42 | 46.1 Ų | 46.1 | 35% | 0.347 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67.8 | -16.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | Q160 E161 | Q160-A164 WeakPolarHBondContact O-CB 3.36Å; Q160-A164 PolarHBondContact O-N 3.16Å; E161-A164 PolarHBondContact O-N 2.74Å |
| 165 | G | 87.3 | Confident | 94.3 | Very high | 21 Ų | 21 | 48.5 Ų | 48.5 | 22% | 0.216 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | 18.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | E161 L162 Q163 W167 | E161-G165 PolarHBondContact O-N 2.96Å; L162-G165 PolarHBondContact O-N 3.4Å; Q163-G165 PolarHBondContact O-N 3.11Å; G165-W167 VanDerWaalsContact C-N 3.35Å; G165-W167 VanDerWaalsContact CA-CZ2 3.47Å; G165-W167 PolarHBondContact O-N 3.44Å; G165-W167 VanDerWaalsContact O-N 3.15Å; G165-W167 PolarHBondContact O-NE1 3.22Å |
| 166 | H | 92.1 | Very high | 94.3 | Very high | 102 Ų | 102 | 50 Ų | 50 | 47% | 0.472 | 26% | 0.263 | S | S | . | . | trans | -85.3 | 74.2 | 175.6 | -62.3 | 162.8 | 0 | 0 | 0 | 110.5 | E161 D168 S169 A170 | E161-H166 HydrophobicContact CB-CB 4.33Å; E161-H166 PolarHBondContact O-N 3.27Å; E161-H166 WeakPolarHBondContact OE2-CB 3.34Å; E161-H166 IonicContact OE2-CG 3.44Å; E161-H166 IonicContact OE2-ND1 2.93Å; E161-H166 PolarHBondContact OE2-ND1 3.39Å; H166-D168 VanDerWaalsContact C-N 3.29Å; H166-D168 PolarHBondContact O-N 3.38Å; H166-S169 PolarHBondContact O-N 3.42Å; H166-A170 PolarHBondContact O-N 2.94Å | ||
| 167 | W | 92.8 | Very high | 94.4 | Very high | 51 Ų | 51 | 48.1 Ų | 48.1 | 19% | 0.193 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.8 | -34 | -173.4 | -43.6 | 112.2 | 0 | 0 | 0 | 113.7 | L162 G165 A170 D171 T199 R200 L207 | L162-W167 HydrophobicContact CD1-CE3 3.9Å; L162-W167 HydrophobicContact CD1-CZ3 3.51Å; L162-W167 HydrophobicContact CG-CZ3 4Å; L162-W167 WeakPolarHBondContact O-CH2 3.37Å; L162-W167 WeakPolarHBondContact O-CZ3 3.48Å; G165-W167 VanDerWaalsContact C-N 3.35Å; G165-W167 VanDerWaalsContact CA-CZ2 3.47Å; G165-W167 PolarHBondContact O-N 3.44Å; G165-W167 VanDerWaalsContact O-N 3.15Å; G165-W167 PolarHBondContact O-NE1 3.22Å; W167-A170 PolarHBondContact O-N 3Å; W167-D171 WeakPolarHBondContact O-CB 3.45Å; W167-D171 PolarHBondContact O-N 3.02Å; W167-T199 HydrophobicContact CH2-CG2 4.48Å; W167-T199 HydrophobicContact CZ3-CG2 4.22Å; W167-T199 WeakPolarHBondContact CZ3-OG1 3.39Å; W167-R200 HydrophobicContact CB-CB 4.11Å; W167-R200 HydrophobicContact CD2-CB 4.13Å; W167-R200 HydrophobicContact CG-CB 3.71Å; W167-L207 HydrophobicContact CH2-CD1 3.84Å; W167-L207 HydrophobicContact CH2-CD2 4.24Å; W167-L207 HydrophobicContact CZ2-CD1 3.33Å; W167-L207 HydrophobicContact CZ2-CG 4.41Å |
| 168 | D | 93.8 | Very high | 94.5 | Very high | 140 Ų | 140 | 48.2 Ų | 48.2 | 75% | 0.749 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -67.5 | -42.3 | 178.1 | -64.2 | -67.6 | 0 | 0 | 0 | 112 | H166 D171 E172 | H166-D168 VanDerWaalsContact C-N 3.29Å; H166-D168 PolarHBondContact O-N 3.38Å; D168-D171 PolarHBondContact O-N 3.44Å; D168-E172 PolarHBondContact O-N 2.87Å |
| 169 | S | 94.8 | Very high | 94.5 | Very high | 55 Ų | 55 | 53.7 Ų | 53.7 | 39% | 0.385 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.7 | -40.9 | 174 | -56.9 | 0 | 0 | 0 | 0 | 111.7 | E161 H166 E172 A173 | E161-S169 WeakPolarHBondContact OE2-CB 3.4Å; E161-S169 PolarHBondContact OE2-OG 2.93Å; H166-S169 PolarHBondContact O-N 3.42Å; S169-E172 WeakPolarHBondContact O-CB 3.34Å; S169-E172 PolarHBondContact O-N 3.12Å; S169-A173 PolarHBondContact O-N 2.77Å |
| 170 | A | 95.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.9 | -40.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E161 H166 W167 E172 A173 H174 I196 | E161-A170 HydrophobicContact CB-CB 4.05Å; H166-A170 PolarHBondContact O-N 2.94Å; W167-A170 PolarHBondContact O-N 3Å; A170-E172 VanDerWaalsContact C-N 3.34Å; A170-A173 PolarHBondContact O-N 3.4Å; A170-H174 PolarHBondContact O-N 3.42Å; A170-I196 HydrophobicContact CB-CD1 4.21Å; A170-I196 HydrophobicContact CB-CG1 4.32Å; A170-I196 HydrophobicContact CB-CG2 4.49Å |
| 171 | D | 95.3 | Very high | 94.6 | Very high | 41 Ų | 41 | 54.5 Ų | 54.5 | 22% | 0.219 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.8 | -35.5 | 174.8 | -166.3 | 73.7 | 0 | 0 | 0 | 111.8 | W167 D168 H174 R175 | W167-D171 WeakPolarHBondContact O-CB 3.45Å; W167-D171 PolarHBondContact O-N 3.02Å; D168-D171 PolarHBondContact O-N 3.44Å; D171-H174 WeakPolarHBondContact O-CB 3.49Å; D171-H174 PolarHBondContact O-N 3.34Å; D171-H174 IonicContact OD1-ND1 3.8Å; D171-R175 WeakPolarHBondContact O-CG 3.38Å; D171-R175 PolarHBondContact O-N 3.3Å; D171-R175 IonicContact OD2-CZ 3.38Å; D171-R175 IonicContact OD2-NE 3.84Å; D171-R175 IonicContact OD2-NH1 2.69Å; D171-R175 PolarHBondContact OD2-NH1 3.48Å |
| 172 | E | 97.1 | Very high | 94.7 | Very high | 102 Ų | 102 | 55.6 Ų | 55.6 | 48% | 0.477 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 173.2 | -173.3 | 57.1 | -145.3 | 0 | 0 | 112.1 | D168 S169 A170 H174 R175 S176 | D168-E172 PolarHBondContact O-N 2.87Å; S169-E172 WeakPolarHBondContact O-CB 3.34Å; S169-E172 PolarHBondContact O-N 3.12Å; A170-E172 VanDerWaalsContact C-N 3.34Å; E172-H174 VanDerWaalsContact C-N 3.29Å; E172-H174 PolarHBondContact O-N 2.94Å; E172-R175 PolarHBondContact O-N 2.89Å; E172-R175 VanDerWaalsContact O-N 3.13Å; E172-R175 IonicContact OE2-CZ 3.23Å; E172-R175 VanDerWaalsContact OE2-CZ 3.23Å; E172-R175 IonicContact OE2-NE 2.97Å; E172-R175 PolarHBondContact OE2-NE 3.22Å; E172-R175 IonicContact OE2-NH2 2.67Å; E172-R175 PolarHBondContact OE2-NH2 3.17Å; E172-S176 WeakPolarHBondContact O-CB 3.36Å; E172-S176 PolarHBondContact O-N 3.34Å |
| 173 | A | 96.6 | Very high | 94.9 | Very high | 13 Ų | 13 | 61.3 Ų | 61.3 | 11% | 0.107 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.6 | -41.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L158 S169 A170 S176 L177 | L158-A173 HydrophobicContact CB-CB 4.02Å; L158-A173 HydrophobicContact CD1-CB 4.38Å; L158-A173 HydrophobicContact CG-CB 4.44Å; S169-A173 PolarHBondContact O-N 2.77Å; A170-A173 PolarHBondContact O-N 3.4Å; A173-S176 PolarHBondContact O-N 3.42Å; A173-L177 WeakPolarHBondContact O-CB 3.33Å; A173-L177 WeakPolarHBondContact O-CG 3.43Å; A173-L177 PolarHBondContact O-N 3.04Å |
| 174 | H | 97.3 | Very high | 95.2 | Very high | 19 Ų | 19 | 60.6 Ų | 60.6 | 9% | 0.088 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.6 | -47 | 172 | 153 | -85.3 | 0 | 0 | 0 | 111.9 | L158 A170 D171 E172 L177 M178 M189 I196 | L158-H174 HydrophobicContact CD1-CB 4.2Å; A170-H174 PolarHBondContact O-N 3.42Å; D171-H174 WeakPolarHBondContact O-CB 3.49Å; D171-H174 PolarHBondContact O-N 3.34Å; D171-H174 IonicContact OD1-ND1 3.8Å; E172-H174 VanDerWaalsContact C-N 3.29Å; E172-H174 PolarHBondContact O-N 2.94Å; H174-L177 PolarHBondContact O-N 3.07Å; H174-M178 WeakPolarHBondContact O-CG 3.35Å; H174-M178 PolarHBondContact O-N 3.25Å; H174-M189 HydrophobicContact CB-SD 4.39Å; H174-M189 VanDerWaalsContact CD2-CG 3.43Å; H174-M189 WeakPolarHBondContact CD2-CG 3.48Å; H174-M189 PolarHBondContact CD2-SD 3.03Å; H174-I196 HydrophobicContact CB-CD1 4.14Å |
| 175 | R | 97.4 | Very high | 95.6 | Very high | 119 Ų | 119 | 58.6 Ų | 58.6 | 45% | 0.449 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.2 | -46.3 | 178.1 | -75.5 | -169.8 | -69 | -117.7 | 11 | 111.1 | D171 E172 L177 M178 V179 | D171-R175 WeakPolarHBondContact O-CG 3.38Å; D171-R175 PolarHBondContact O-N 3.3Å; D171-R175 IonicContact OD2-CZ 3.38Å; D171-R175 IonicContact OD2-NE 3.84Å; D171-R175 IonicContact OD2-NH1 2.69Å; D171-R175 PolarHBondContact OD2-NH1 3.48Å; E172-R175 PolarHBondContact O-N 2.89Å; E172-R175 VanDerWaalsContact O-N 3.13Å; E172-R175 IonicContact OE2-CZ 3.23Å; E172-R175 VanDerWaalsContact OE2-CZ 3.23Å; E172-R175 IonicContact OE2-NE 2.97Å; E172-R175 PolarHBondContact OE2-NE 3.22Å; E172-R175 IonicContact OE2-NH2 2.67Å; E172-R175 PolarHBondContact OE2-NH2 3.17Å; R175-L177 VanDerWaalsContact C-N 3.34Å; R175-L177 PolarHBondContact O-N 3.44Å; R175-M178 CarbonylContact O-C 3.34Å; R175-M178 WeakPolarHBondContact O-CB 3.41Å; R175-M178 PolarHBondContact O-N 2.98Å; R175-M178 VanDerWaalsContact O-N 3.1Å; R175-V179 WeakPolarHBondContact O-CG2 3.48Å; R175-V179 PolarHBondContact O-N 3.34Å |
| 176 | S | 97.3 | Very high | 96 | Very high | 32 Ų | 32 | 60.2 Ų | 60.2 | 22% | 0.224 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.5 | -42.6 | 176.9 | 175.7 | 0 | 0 | 0 | 0 | 112.2 | R154 E172 A173 M178 V179 D180 | R154-S176 PolarHBondContact NE-OG 3.36Å; R154-S176 PolarHBondContact NH1-O 2.87Å; R154-S176 PolarHBondContact NH1-OG 3.22Å; R154-S176 VanDerWaalsContact NH1-OG 3.09Å; E172-S176 WeakPolarHBondContact O-CB 3.36Å; E172-S176 PolarHBondContact O-N 3.34Å; A173-S176 PolarHBondContact O-N 3.42Å; S176-M178 VanDerWaalsContact C-N 3.33Å; S176-M178 PolarHBondContact O-N 3.09Å; S176-V179 PolarHBondContact O-N 3.06Å; S176-D180 PolarHBondContact O-N 2.96Å; S176-D180 VanDerWaalsContact O-N 3.11Å |
| 177 | L | 97.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.3 | -40.1 | 173.9 | -77.2 | 168.6 | 0 | 0 | 0 | 112.3 | V151 R154 A173 H174 R175 V179 H181 V182 V185 M189 | V151-L177 HydrophobicContact CB-CD2 4.22Å; V151-L177 HydrophobicContact CG1-CD2 4.08Å; V151-L177 HydrophobicContact CG2-CD2 4.09Å; R154-L177 HydrophobicContact CB-CD1 4.06Å; R154-L177 HydrophobicContact CB-CD2 3.7Å; R154-L177 HydrophobicContact CB-CG 3.88Å; R154-L177 HydrophobicContact CG-CD2 4.39Å; A173-L177 WeakPolarHBondContact O-CB 3.33Å; A173-L177 WeakPolarHBondContact O-CG 3.43Å; A173-L177 PolarHBondContact O-N 3.04Å; H174-L177 PolarHBondContact O-N 3.07Å; R175-L177 VanDerWaalsContact C-N 3.34Å; R175-L177 PolarHBondContact O-N 3.44Å; L177-V179 VanDerWaalsContact C-N 3.34Å; L177-V179 PolarHBondContact O-N 3.25Å; L177-H181 CarbonylContact O-C 3.6Å; L177-H181 WeakPolarHBondContact O-CA 3.38Å; L177-H181 PolarHBondContact O-N 3.39Å; L177-V182 PolarHBondContact O-N 2.86Å; L177-V185 HydrophobicContact CB-CG1 4.39Å; L177-V185 HydrophobicContact CB-CG2 4.41Å; L177-V185 HydrophobicContact CD2-CG1 4.23Å; L177-M189 HydrophobicContact CB-CE 3.83Å; L177-M189 HydrophobicContact CD1-CE 3.48Å; L177-M189 VanDerWaalsContact CD1-CE 3.48Å; L177-M189 HydrophobicContact CG-CE 4.26Å |
| 178 | M | 97.6 | Very high | 96.4 | Very high | 71 Ų | 71 | 58.7 Ų | 58.7 | 35% | 0.35 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -70.7 | -24.9 | 177.7 | -72.4 | -66.8 | -58.5 | 0 | 0 | 113.8 | H174 R175 S176 V182 V185 M189 | H174-M178 WeakPolarHBondContact O-CG 3.35Å; H174-M178 PolarHBondContact O-N 3.25Å; R175-M178 CarbonylContact O-C 3.34Å; R175-M178 WeakPolarHBondContact O-CB 3.41Å; R175-M178 PolarHBondContact O-N 2.98Å; R175-M178 VanDerWaalsContact O-N 3.1Å; S176-M178 VanDerWaalsContact C-N 3.33Å; S176-M178 PolarHBondContact O-N 3.09Å; M178-V182 HydrophobicContact CE-CG2 4.01Å; M178-V182 WeakPolarHBondContact O-CB 3.37Å; M178-V185 HydrophobicContact SD-CG2 3.91Å; M178-M189 HydrophobicContact CG-CG 4.06Å; M178-M189 HydrophobicContact SD-CB 4.09Å; M178-M189 HydrophobicContact SD-CG 3.71Å |
| 179 | V | 97.3 | Very high | 96.6 | Very high | 114 Ų | 114 | 52 Ų | 52 | 69% | 0.691 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -80.7 | -48.1 | 177.3 | 171.7 | 0 | 0 | 0 | 0 | 111 | R175 S176 L177 | R175-V179 WeakPolarHBondContact O-CG2 3.48Å; R175-V179 PolarHBondContact O-N 3.34Å; S176-V179 PolarHBondContact O-N 3.06Å; L177-V179 VanDerWaalsContact C-N 3.34Å; L177-V179 PolarHBondContact O-N 3.25Å |
| 180 | D | 96 | Very high | 96.6 | Very high | 89 Ų | 89 | 52.8 Ų | 52.8 | 48% | 0.476 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -93.1 | -30.5 | -169.4 | -59.1 | -41.3 | 0 | 0 | 0 | 113.2 | R154 S176 | R154-D180 IonicContact CZ-OD2 3.19Å; R154-D180 IonicContact NH1-OD2 2.77Å; R154-D180 PolarHBondContact NH1-OD2 2.78Å; R154-D180 IonicContact NH2-OD2 2.76Å; R154-D180 PolarHBondContact NH2-OD2 2.97Å; S176-D180 PolarHBondContact O-N 2.96Å; S176-D180 VanDerWaalsContact O-N 3.11Å |
| 181 | H | 96.6 | Very high | 96.6 | Very high | 29 Ų | 29 | 53 Ų | 53 | 13% | 0.134 | 29% | 0.285 | C | S | . | . | trans | -132.4 | 31.6 | -167.4 | -56.1 | 91.5 | 0 | 0 | 0 | 113 | V151 R154 L177 T183 E184 V185 | V151-H181 HydrophobicContact CG2-CB 3.47Å; V151-H181 VanDerWaalsContact CG2-CB 3.47Å; V151-H181 VanDerWaalsContact CG2-CG 3.45Å; R154-H181 PolarHBondContact NH1-ND1 2.67Å; L177-H181 CarbonylContact O-C 3.6Å; L177-H181 WeakPolarHBondContact O-CA 3.38Å; L177-H181 PolarHBondContact O-N 3.39Å; H181-T183 PolarHBondContact O-N 3.04Å; H181-T183 VanDerWaalsContact O-N 3.09Å; H181-E184 IonicContact CD2-OE1 3.33Å; H181-E184 PolarHBondContact CD2-OE1 3.5Å; H181-E184 IonicContact CG-OE1 2.74Å; H181-E184 PolarHBondContact O-N 3.14Å; H181-V185 HydrophobicContact CB-CG1 4.44Å; H181-V185 PolarHBondContact O-N 3.47Å; H181-V185 VanDerWaalsContact O-N 3.16Å | ||
| 182 | V | 96.5 | Very high | 96.6 | Very high | 66 Ų | 66 | 51.1 Ų | 51.1 | 40% | 0.4 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -52.6 | -36.3 | -175.6 | 68.9 | 0 | 0 | 0 | 0 | 113.7 | L177 M178 E184 V185 S186 | L177-V182 PolarHBondContact O-N 2.86Å; M178-V182 HydrophobicContact CE-CG2 4.01Å; M178-V182 WeakPolarHBondContact O-CB 3.37Å; V182-E184 VanDerWaalsContact C-N 3.26Å; V182-E184 PolarHBondContact O-N 3.4Å; V182-V185 PolarHBondContact O-N 2.85Å; V182-S186 WeakPolarHBondContact O-CB 3.26Å; V182-S186 PolarHBondContact O-N 2.95Å; V182-S186 PolarHBondContact O-OG 3.24Å |
| 183 | T | 96.1 | Very high | 96.6 | Very high | 121 Ų | 121 | 51.1 Ų | 51.1 | 74% | 0.742 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -65.5 | -30.4 | -178.8 | 48.3 | 0 | 0 | 0 | 0 | 112.7 | H181 | H181-T183 PolarHBondContact O-N 3.04Å; H181-T183 VanDerWaalsContact O-N 3.09Å |
| 184 | E | 96.5 | Very high | 96.5 | Very high | 45 Ų | 45 | 55.9 Ų | 55.9 | 21% | 0.21 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -88.2 | -36.2 | -179.2 | -60.2 | -179 | -108.1 | 0 | 0 | 111.5 | L147 S148 V151 H181 V182 W188 | L147-E184 WeakPolarHBondContact CA-OE2 3.47Å; L147-E184 HydrophobicContact CD2-CB 4.34Å; S148-E184 WeakPolarHBondContact CB-OE2 3.49Å; S148-E184 PolarHBondContact N-OE2 3.36Å; S148-E184 PolarHBondContact OG-OE1 3.04Å; S148-E184 PolarHBondContact OG-OE2 3.33Å; S148-E184 VanDerWaalsContact OG-OE2 3.12Å; V151-E184 HydrophobicContact CG2-CB 4.48Å; H181-E184 IonicContact CD2-OE1 3.33Å; H181-E184 PolarHBondContact CD2-OE1 3.5Å; H181-E184 IonicContact CG-OE1 2.74Å; H181-E184 PolarHBondContact O-N 3.14Å; V182-E184 VanDerWaalsContact C-N 3.26Å; V182-E184 PolarHBondContact O-N 3.4Å; E184-W188 PolarHBondContact O-NE1 2.97Å; E184-W188 VanDerWaalsContact O-NE1 3.14Å |
| 185 | V | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -98.3 | -23.8 | -169.8 | -50.8 | 0 | 0 | 0 | 0 | 114.6 | V151 L177 M178 H181 V182 Q187 W188 M189 | V151-V185 HydrophobicContact CG1-CG1 3.79Å; V151-V185 HydrophobicContact CG2-CG1 4.31Å; L177-V185 HydrophobicContact CB-CG1 4.39Å; L177-V185 HydrophobicContact CB-CG2 4.41Å; L177-V185 HydrophobicContact CD2-CG1 4.23Å; M178-V185 HydrophobicContact SD-CG2 3.91Å; H181-V185 HydrophobicContact CB-CG1 4.44Å; H181-V185 PolarHBondContact O-N 3.47Å; H181-V185 VanDerWaalsContact O-N 3.16Å; V182-V185 PolarHBondContact O-N 2.85Å; V185-Q187 PolarHBondContact O-N 2.86Å; V185-W188 HydrophobicContact CB-CH2 3.93Å; V185-W188 HydrophobicContact CB-CZ2 3.66Å; V185-W188 HydrophobicContact CG1-CH2 3.79Å; V185-W188 HydrophobicContact CG1-CZ2 3.52Å; V185-W188 PolarHBondContact O-N 3.16Å; V185-W188 VanDerWaalsContact O-N 3.11Å; V185-M189 HydrophobicContact CB-CB 4.07Å; V185-M189 HydrophobicContact CB-CE 3.8Å; V185-M189 HydrophobicContact CG1-CE 4.15Å; V185-M189 HydrophobicContact CG2-CB 4.08Å; V185-M189 HydrophobicContact CG2-CE 4.06Å; V185-M189 HydrophobicContact CG2-CG 4.27Å; V185-M189 WeakPolarHBondContact O-CB 3.44Å; V185-M189 PolarHBondContact O-N 2.96Å |
| 186 | S | 95.5 | Very high | 96.1 | Very high | 55 Ų | 55 | 49.7 Ų | 49.7 | 39% | 0.385 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -52.6 | -35.4 | -169.6 | 52.5 | 0 | 0 | 0 | 0 | 114.9 | V182 W188 | V182-S186 WeakPolarHBondContact O-CB 3.26Å; V182-S186 PolarHBondContact O-N 2.95Å; V182-S186 PolarHBondContact O-OG 3.24Å; S186-W188 PolarHBondContact O-N 2.71Å |
| 187 | Q | 96.4 | Very high | 95.9 | Very high | 120 Ų | 120 | 49 Ų | 49 | 56% | 0.561 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -67.4 | -34.2 | -176.5 | -65.9 | -172.8 | -40.5 | 0 | 0 | 113.2 | R134 V185 | R134-Q187 WeakPolarHBondContact CD-O 3.45Å; R134-Q187 PolarHBondContact NH1-O 3.38Å; V185-Q187 PolarHBondContact O-N 2.86Å |
| 188 | W | 96.9 | Very high | 95.6 | Very high | 1 Ų | 1 | 50 Ų | 50 | 0% | 0.004 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -116.4 | -22.1 | -174.7 | 50.3 | -98.1 | 0 | 0 | 0 | 113 | R134 L137 L138 L147 V151 M155 E184 V185 S186 V190 G191 V192 | R134-W188 HydrophobicContact CB-CB 4.49Å; R134-W188 VanDerWaalsContact O-CB 3.26Å; R134-W188 WeakPolarHBondContact O-CB 3.42Å; L137-W188 HydrophobicContact CB-CB 4.19Å; L138-W188 HydrophobicContact CB-CB 4.12Å; L138-W188 HydrophobicContact CB-CD2 3.85Å; L138-W188 HydrophobicContact CB-CE3 4.06Å; L138-W188 HydrophobicContact CB-CG 3.87Å; L138-W188 HydrophobicContact CD1-CD2 3.82Å; L138-W188 HydrophobicContact CD1-CE3 3.89Å; L138-W188 HydrophobicContact CD1-CH2 3.67Å; L138-W188 HydrophobicContact CD1-CZ2 3.58Å; L138-W188 HydrophobicContact CD1-CZ3 3.82Å; L138-W188 HydrophobicContact CD2-CE3 4.21Å; L138-W188 HydrophobicContact CD2-CZ3 4.26Å; L138-W188 HydrophobicContact CG-CD2 4.33Å; L138-W188 HydrophobicContact CG-CE3 4.28Å; L147-W188 HydrophobicContact CD2-CZ2 4.27Å; V151-W188 HydrophobicContact CG1-CZ2 4.27Å; M155-W188 HydrophobicContact CE-CZ3 4.49Å; M155-W188 HydrophobicContact SD-CH2 4.02Å; M155-W188 HydrophobicContact SD-CZ3 3.85Å; E184-W188 PolarHBondContact O-NE1 2.97Å; E184-W188 VanDerWaalsContact O-NE1 3.14Å; V185-W188 HydrophobicContact CB-CH2 3.93Å; V185-W188 HydrophobicContact CB-CZ2 3.66Å; V185-W188 HydrophobicContact CG1-CH2 3.79Å; V185-W188 HydrophobicContact CG1-CZ2 3.52Å; V185-W188 PolarHBondContact O-N 3.16Å; V185-W188 VanDerWaalsContact O-N 3.11Å; S186-W188 PolarHBondContact O-N 2.71Å; W188-V190 PolarHBondContact O-N 3.11Å; W188-V190 VanDerWaalsContact O-N 3.14Å; W188-G191 PolarHBondContact O-N 3.32Å; W188-V192 HydrophobicContact CE3-CG2 3.82Å; W188-V192 HydrophobicContact CZ3-CG2 3.96Å |
| 189 | M | 96.8 | Very high | 95.2 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.3 | -29.4 | -175.2 | -172.4 | 56 | 75.8 | 0 | 0 | 113.7 | H174 L177 M178 V185 G191 V192 K193 | H174-M189 HydrophobicContact CB-SD 4.39Å; H174-M189 VanDerWaalsContact CD2-CG 3.43Å; H174-M189 WeakPolarHBondContact CD2-CG 3.48Å; H174-M189 PolarHBondContact CD2-SD 3.03Å; L177-M189 HydrophobicContact CB-CE 3.83Å; L177-M189 HydrophobicContact CD1-CE 3.48Å; L177-M189 VanDerWaalsContact CD1-CE 3.48Å; L177-M189 HydrophobicContact CG-CE 4.26Å; M178-M189 HydrophobicContact CG-CG 4.06Å; M178-M189 HydrophobicContact SD-CB 4.09Å; M178-M189 HydrophobicContact SD-CG 3.71Å; V185-M189 HydrophobicContact CB-CB 4.07Å; V185-M189 HydrophobicContact CB-CE 3.8Å; V185-M189 HydrophobicContact CG1-CE 4.15Å; V185-M189 HydrophobicContact CG2-CB 4.08Å; V185-M189 HydrophobicContact CG2-CE 4.06Å; V185-M189 HydrophobicContact CG2-CG 4.27Å; V185-M189 WeakPolarHBondContact O-CB 3.44Å; V185-M189 PolarHBondContact O-N 2.96Å; M189-G191 PolarHBondContact O-N 2.68Å; M189-V192 PolarHBondContact O-N 3.47Å; M189-V192 VanDerWaalsContact O-N 3.11Å; M189-V192 HydrophobicContact SD-CB 3.86Å; M189-V192 HydrophobicContact SD-CG1 4.1Å; M189-V192 HydrophobicContact SD-CG2 4.46Å; M189-K193 PolarHBondContact O-N 3.5Å |
| 190 | V | 95.6 | Very high | 94.8 | Very high | 71 Ų | 71 | 48.1 Ų | 48.1 | 43% | 0.43 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.8 | -32.7 | 173.5 | 64.8 | 0 | 0 | 0 | 0 | 112.7 | W188 R194 | W188-V190 PolarHBondContact O-N 3.11Å; W188-V190 VanDerWaalsContact O-N 3.14Å; V190-R194 PolarHBondContact O-N 2.96Å; V190-R194 VanDerWaalsContact O-N 3.16Å |
| 191 | G | 96 | Very high | 94.3 | Very high | 4 Ų | 4 | 49.2 Ų | 49.2 | 4% | 0.041 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -70.7 | -41.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | W188 M189 R194 L195 | W188-G191 PolarHBondContact O-N 3.32Å; M189-G191 PolarHBondContact O-N 2.68Å; G191-R194 PolarHBondContact O-N 3.1Å; G191-L195 WeakPolarHBondContact O-CB 3.37Å; G191-L195 PolarHBondContact O-N 3.34Å |
| 192 | V | 95.8 | Very high | 93.5 | Very high | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.012 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.3 | -44.9 | 176.8 | 179.9 | 0 | 0 | 0 | 0 | 111.1 | L135 M155 L158 W188 M189 R194 L195 I196 | L135-V192 HydrophobicContact CD2-CG2 4.37Å; M155-V192 HydrophobicContact CE-CG1 4.15Å; M155-V192 HydrophobicContact CE-CG2 4.08Å; L158-V192 HydrophobicContact CD1-CG1 3.91Å; L158-V192 HydrophobicContact CD2-CG1 3.81Å; W188-V192 HydrophobicContact CE3-CG2 3.82Å; W188-V192 HydrophobicContact CZ3-CG2 3.96Å; M189-V192 PolarHBondContact O-N 3.47Å; M189-V192 VanDerWaalsContact O-N 3.11Å; M189-V192 HydrophobicContact SD-CB 3.86Å; M189-V192 HydrophobicContact SD-CG1 4.1Å; M189-V192 HydrophobicContact SD-CG2 4.46Å; V192-R194 VanDerWaalsContact C-N 3.28Å; V192-R194 PolarHBondContact O-N 3.5Å; V192-L195 WeakPolarHBondContact O-CA 3.35Å; V192-L195 WeakPolarHBondContact O-CB 3.49Å; V192-L195 PolarHBondContact O-N 3.16Å; V192-I196 HydrophobicContact CG1-CD1 4.22Å; V192-I196 WeakPolarHBondContact O-CG1 3.44Å; V192-I196 PolarHBondContact O-N 3.48Å |
| 193 | K | 95.6 | Very high | 92 | Very high | 101 Ų | 101 | 48.6 Ų | 48.6 | 44% | 0.439 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -56.7 | -43.2 | 173.5 | -170.7 | -179.3 | 73.5 | -178.9 | 0 | 111.8 | M189 L195 I196 A197 | M189-K193 PolarHBondContact O-N 3.5Å; K193-L195 VanDerWaalsContact C-N 3.33Å; K193-I196 PolarHBondContact O-N 3.09Å; K193-A197 WeakPolarHBondContact O-CB 3.36Å; K193-A197 PolarHBondContact O-N 3.02Å |
| 194 | R | 94.3 | Very high | 90.4 | Very high | 113 Ų | 113 | 47.6 Ų | 47.6 | 43% | 0.426 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.9 | -40.7 | 176.4 | -178.5 | 62.2 | -170.8 | -158.9 | 7.1 | 111 | V127 V131 V190 G191 V192 A197 E198 | V127-R194 HydrophobicContact CG1-CG 3.89Å; V131-R194 HydrophobicContact CG2-CB 4.19Å; V131-R194 HydrophobicContact CG2-CG 4.06Å; V190-R194 PolarHBondContact O-N 2.96Å; V190-R194 VanDerWaalsContact O-N 3.16Å; G191-R194 PolarHBondContact O-N 3.1Å; V192-R194 VanDerWaalsContact C-N 3.28Å; V192-R194 PolarHBondContact O-N 3.5Å; R194-A197 PolarHBondContact O-N 3.11Å; R194-E198 IonicContact CZ-OE2 3.99Å; R194-E198 IonicContact NE-OE2 3.16Å; R194-E198 PolarHBondContact NE-OE2 2.96Å; R194-E198 VanDerWaalsContact NE-OE2 3.16Å; R194-E198 IonicContact NH2-OE2 2.76Å; R194-E198 PolarHBondContact NH2-OE2 2.69Å; R194-E198 VanDerWaalsContact O-CB 3.26Å; R194-E198 WeakPolarHBondContact O-CB 3.32Å; R194-E198 PolarHBondContact O-N 3.14Å |
| 195 | L | 94.1 | Very high | 88.6 | Confident | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.016 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.3 | -45.8 | 176.8 | -175.5 | 62 | 0 | 0 | 0 | 111.7 | L112 A115 L116 V131 L162 G191 V192 K193 A197 E198 T199 | L112-L195 HydrophobicContact CB-CD2 4.4Å; L112-L195 HydrophobicContact CD2-CD2 4Å; A115-L195 HydrophobicContact CB-CD1 4.22Å; A115-L195 HydrophobicContact CB-CD2 4.28Å; A115-L195 HydrophobicContact CB-CG 4.41Å; L116-L195 HydrophobicContact CB-CD1 4.16Å; L116-L195 HydrophobicContact CD1-CD1 4.46Å; V131-L195 HydrophobicContact CG1-CB 4.17Å; V131-L195 HydrophobicContact CG1-CD1 4.45Å; L162-L195 HydrophobicContact CD2-CD2 4.2Å; G191-L195 WeakPolarHBondContact O-CB 3.37Å; G191-L195 PolarHBondContact O-N 3.34Å; V192-L195 WeakPolarHBondContact O-CA 3.35Å; V192-L195 WeakPolarHBondContact O-CB 3.49Å; V192-L195 PolarHBondContact O-N 3.16Å; K193-L195 VanDerWaalsContact C-N 3.33Å; L195-A197 VanDerWaalsContact C-N 3.33Å; L195-A197 PolarHBondContact O-N 2.9Å; L195-E198 PolarHBondContact O-N 3.14Å; L195-T199 HydrophobicContact CD1-CG2 4.24Å; L195-T199 HydrophobicContact CG-CG2 4.5Å; L195-T199 WeakPolarHBondContact O-CB 3.37Å; L195-T199 WeakPolarHBondContact O-CG2 3.41Å; L195-T199 PolarHBondContact O-N 2.76Å; L195-T199 PolarHBondContact O-OG1 3.35Å |
| 196 | I | 93.4 | Very high | 86.8 | Confident | 5 Ų | 5 | 55.4 Ų | 55.4 | 3% | 0.026 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.1 | -46 | 173.6 | -63.8 | 164.3 | 0 | 0 | 0 | 110.4 | L158 L162 A170 H174 V192 K193 E198 T199 R200 | L158-I196 HydrophobicContact CD1-CD1 4.29Å; L162-I196 HydrophobicContact CD1-CG1 3.93Å; A170-I196 HydrophobicContact CB-CD1 4.21Å; A170-I196 HydrophobicContact CB-CG1 4.32Å; A170-I196 HydrophobicContact CB-CG2 4.49Å; H174-I196 HydrophobicContact CB-CD1 4.14Å; V192-I196 HydrophobicContact CG1-CD1 4.22Å; V192-I196 WeakPolarHBondContact O-CG1 3.44Å; V192-I196 PolarHBondContact O-N 3.48Å; K193-I196 PolarHBondContact O-N 3.09Å; I196-E198 PolarHBondContact O-N 2.99Å; I196-T199 WeakPolarHBondContact CA-OG1 3.49Å; I196-T199 PolarHBondContact O-OG1 2.84Å; I196-R200 WeakPolarHBondContact O-CG 3.48Å; I196-R200 PolarHBondContact O-N 2.94Å |
| 197 | A | 92.8 | Very high | 85.2 | Confident | 19 Ų | 19 | 53.2 Ų | 53.2 | 16% | 0.157 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.2 | -22.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | K193 R194 L195 R200 N201 | K193-A197 WeakPolarHBondContact O-CB 3.36Å; K193-A197 PolarHBondContact O-N 3.02Å; R194-A197 PolarHBondContact O-N 3.11Å; L195-A197 VanDerWaalsContact C-N 3.33Å; L195-A197 PolarHBondContact O-N 2.9Å; A197-R200 WeakPolarHBondContact O-CG 3.41Å; A197-R200 PolarHBondContact O-NE 3.46Å; A197-N201 VanDerWaalsContact O-CG 3.31Å; A197-N201 PolarHBondContact O-ND2 3.31Å |
| 198 | E | 91.2 | Very high | 83.4 | Confident | 21 Ų | 21 | 53.6 Ų | 53.6 | 10% | 0.098 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -91.7 | -40.3 | -179.6 | -159.5 | 64.5 | -110.9 | 0 | 0 | 111.6 | C119 V123 R194 L195 I196 R200 N201 L202 | C119-E198 HydrophobicContact CB-CG 4.02Å; V123-E198 HydrophobicContact CB-CG 4.41Å; V123-E198 HydrophobicContact CG1-CG 4.38Å; V123-E198 HydrophobicContact CG2-CG 3.23Å; V123-E198 WeakPolarHBondContact CG2-OE1 3.22Å; R194-E198 IonicContact CZ-OE2 3.99Å; R194-E198 IonicContact NE-OE2 3.16Å; R194-E198 PolarHBondContact NE-OE2 2.96Å; R194-E198 VanDerWaalsContact NE-OE2 3.16Å; R194-E198 IonicContact NH2-OE2 2.76Å; R194-E198 PolarHBondContact NH2-OE2 2.69Å; R194-E198 VanDerWaalsContact O-CB 3.26Å; R194-E198 WeakPolarHBondContact O-CB 3.32Å; R194-E198 PolarHBondContact O-N 3.14Å; L195-E198 PolarHBondContact O-N 3.14Å; I196-E198 PolarHBondContact O-N 2.99Å; E198-R200 VanDerWaalsContact C-N 3.34Å; E198-R200 PolarHBondContact O-N 2.96Å; E198-N201 WeakPolarHBondContact O-CB 3.07Å; E198-N201 PolarHBondContact O-N 3.41Å; E198-L202 PolarHBondContact O-N 2.86Å; E198-L202 VanDerWaalsContact O-N 3.16Å |
| 199 | T | 88.5 | Confident | 81.6 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.9 | -36.7 | 173.8 | 46.5 | 0 | 0 | 0 | 0 | 112.4 | A115 W167 L195 I196 N201 L202 L207 | A115-T199 HydrophobicContact CB-CG2 4.01Å; W167-T199 HydrophobicContact CH2-CG2 4.48Å; W167-T199 HydrophobicContact CZ3-CG2 4.22Å; W167-T199 WeakPolarHBondContact CZ3-OG1 3.39Å; L195-T199 HydrophobicContact CD1-CG2 4.24Å; L195-T199 HydrophobicContact CG-CG2 4.5Å; L195-T199 WeakPolarHBondContact O-CB 3.37Å; L195-T199 WeakPolarHBondContact O-CG2 3.41Å; L195-T199 PolarHBondContact O-N 2.76Å; L195-T199 PolarHBondContact O-OG1 3.35Å; I196-T199 WeakPolarHBondContact CA-OG1 3.49Å; I196-T199 PolarHBondContact O-OG1 2.84Å; T199-N201 PolarHBondContact O-N 3.37Å; T199-L202 WeakPolarHBondContact O-CB 3.44Å; T199-L202 PolarHBondContact O-N 3.05Å; T199-L207 HydrophobicContact CG2-CD2 4.43Å; T199-L207 VanDerWaalsContact O-CD1 3.25Å; T199-L207 WeakPolarHBondContact O-CD1 3.45Å |
| 200 | R | 88.4 | Confident | 79.7 | Confident | 144 Ų | 144 | 57.3 Ų | 57.3 | 54% | 0.543 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -26.2 | 170.8 | 73 | -178.6 | -176 | -174.8 | 2.3 | 114.2 | W167 I196 A197 E198 | W167-R200 HydrophobicContact CB-CB 4.11Å; W167-R200 HydrophobicContact CD2-CB 4.13Å; W167-R200 HydrophobicContact CG-CB 3.71Å; I196-R200 WeakPolarHBondContact O-CG 3.48Å; I196-R200 PolarHBondContact O-N 2.94Å; A197-R200 WeakPolarHBondContact O-CG 3.41Å; A197-R200 PolarHBondContact O-NE 3.46Å; E198-R200 VanDerWaalsContact C-N 3.34Å; E198-R200 PolarHBondContact O-N 2.96Å |
| 201 | N | 85.3 | Confident | 77.9 | Confident | 112 Ų | 112 | 59.6 Ų | 59.6 | 60% | 0.599 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -14.6 | -179.3 | -77.6 | -10.5 | 0 | 0 | 0 | 111.8 | A197 E198 T199 | A197-N201 VanDerWaalsContact O-CG 3.31Å; A197-N201 PolarHBondContact O-ND2 3.31Å; E198-N201 WeakPolarHBondContact O-CB 3.07Å; E198-N201 PolarHBondContact O-N 3.41Å; T199-N201 PolarHBondContact O-N 3.37Å |
| 202 | L | 80.7 | Confident | 75.6 | Confident | 13 Ų | 13 | 64.2 Ų | 64.2 | 7% | 0.068 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -73 | 135.6 | 170.8 | -72.8 | 174.1 | 0 | 0 | 0 | 109.5 | A118 C119 S122 E198 T199 L207 | A118-L202 HydrophobicContact CB-CD1 4.14Å; C119-L202 HydrophobicContact CB-CD1 4.41Å; C119-L202 VanDerWaalsContact SG-CD1 3.57Å; S122-L202 VanDerWaalsContact CB-CD2 3.47Å; S122-L202 WeakPolarHBondContact OG-CD2 3.33Å; E198-L202 PolarHBondContact O-N 2.86Å; E198-L202 VanDerWaalsContact O-N 3.16Å; T199-L202 WeakPolarHBondContact O-CB 3.44Å; T199-L202 PolarHBondContact O-N 3.05Å; L202-L207 HydrophobicContact CB-CD1 4.06Å; L202-L207 HydrophobicContact CB-CD2 4.11Å; L202-L207 HydrophobicContact CB-CG 4.09Å; L202-L207 HydrophobicContact CD1-CD2 3.75Å |
| 203 | S | 65.3 | Low | 73.2 | Confident | 70 Ų | 70 | 68.9 Ų | 68.9 | 49% | 0.49 | 35% | 0.353 | S | S | . | . | trans | -56.6 | 139.7 | 169 | -58.5 | 0 | 0 | 0 | 0 | 109.7 | D205 H206 | S203-D205 PolarHBondContact O-N 3.07Å; S203-H206 PolarHBondContact O-N 2.7Å | ||
| 204 | P | 62.3 | Low | 70.6 | Confident | 99 Ų | 99 | 69 Ų | 69 | 64% | 0.643 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -57.6 | -22.7 | -175.8 | 21.2 | -32.5 | 0 | 0 | 0 | 113.5 | H206 L207 K208 | P204-H206 VanDerWaalsContact C-N 3.29Å; P204-H206 PolarHBondContact O-N 3.48Å; P204-L207 PolarHBondContact O-N 3.09Å; P204-L207 VanDerWaalsContact O-N 3.16Å; P204-K208 PolarHBondContact O-N 2.97Å |
| 205 | D | 59 | Low | 68.3 | Low | 101 Ų | 101 | 68.9 Ų | 68.9 | 54% | 0.54 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -60.7 | -32.1 | 173.3 | -73.1 | -68.2 | 0 | 0 | 0 | 114.4 | S203 L207 K208 | S203-D205 PolarHBondContact O-N 3.07Å; D205-L207 VanDerWaalsContact C-N 3.32Å; D205-K208 WeakPolarHBondContact OD1-CE 3.34Å; D205-K208 IonicContact OD1-NZ 2.68Å; D205-K208 PolarHBondContact OD1-NZ 3.02Å |
| 206 | H | 58.8 | Low | 66.3 | Low | 108 Ų | 108 | 75.2 Ų | 75.2 | 50% | 0.5 | 42% | 0.415 | S | S | . | . | G | 310 helix | trans | -83.8 | -9.3 | 177.9 | -63.4 | -67.5 | 0 | 0 | 0 | 113.2 | S203 P204 P209 | S203-H206 PolarHBondContact O-N 2.7Å; P204-H206 VanDerWaalsContact C-N 3.29Å; P204-H206 PolarHBondContact O-N 3.48Å; H206-P209 VanDerWaalsContact O-CD 3.26Å; H206-P209 WeakPolarHBondContact O-CD 3.48Å |
| 207 | L | 61.3 | Low | 64.2 | Low | 10 Ų | 10 | 78.1 Ų | 78.1 | 5% | 0.052 | 44% | 0.44 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -9.5 | -178.2 | -60.3 | 166.4 | 0 | 0 | 0 | 112.1 | A118 W167 T199 L202 P204 D205 P209 L210 | A118-L207 HydrophobicContact CB-CD2 4.49Å; W167-L207 HydrophobicContact CH2-CD1 3.84Å; W167-L207 HydrophobicContact CH2-CD2 4.24Å; W167-L207 HydrophobicContact CZ2-CD1 3.33Å; W167-L207 HydrophobicContact CZ2-CG 4.41Å; T199-L207 HydrophobicContact CG2-CD2 4.43Å; T199-L207 VanDerWaalsContact O-CD1 3.25Å; T199-L207 WeakPolarHBondContact O-CD1 3.45Å; L202-L207 HydrophobicContact CB-CD1 4.06Å; L202-L207 HydrophobicContact CB-CD2 4.11Å; L202-L207 HydrophobicContact CB-CG 4.09Å; L202-L207 HydrophobicContact CD1-CD2 3.75Å; P204-L207 PolarHBondContact O-N 3.09Å; P204-L207 VanDerWaalsContact O-N 3.16Å; D205-L207 VanDerWaalsContact C-N 3.32Å; L207-P209 VanDerWaalsContact O-N 3.16Å; L207-L210 HydrophobicContact CB-CD1 4.49Å; L207-L210 HydrophobicContact CD2-CD1 3.81Å; L207-L210 WeakPolarHBondContact O-CB 3.03Å; L207-L210 PolarHBondContact O-N 2.9Å |
| 208 | K | 58.9 | Low | 61.7 | Low | 127 Ų | 127 | 85.6 Ų | 85.6 | 55% | 0.552 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -48.2 | -35 | 169.9 | -71.6 | 173.2 | 174.9 | 168 | 0 | 114.4 | P204 D205 L210 Q211 | P204-K208 PolarHBondContact O-N 2.97Å; D205-K208 WeakPolarHBondContact OD1-CE 3.34Å; D205-K208 IonicContact OD1-NZ 2.68Å; D205-K208 PolarHBondContact OD1-NZ 3.02Å; K208-L210 PolarHBondContact O-N 3.37Å; K208-Q211 PolarHBondContact O-N 2.99Å |
| 209 | P | 59.2 | Low | 59.3 | Low | 78 Ų | 78 | 91 Ų | 91 | 51% | 0.506 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.2 | -20.3 | 174.9 | -22.6 | 35 | 0 | 0 | 0 | 114.9 | R114 H206 L207 | R114-P209 WeakPolarHBondContact CD-O 3.37Å; R114-P209 PolarHBondContact NH1-O 3.18Å; H206-P209 VanDerWaalsContact O-CD 3.26Å; H206-P209 WeakPolarHBondContact O-CD 3.48Å; L207-P209 VanDerWaalsContact O-N 3.16Å |
| 210 | L | 58.4 | Low | 57.2 | Low | 3 Ų | 3 | 96.8 Ų | 96.8 | 2% | 0.016 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -71.4 | -40.8 | 176.2 | -85.3 | 147.5 | 0 | 0 | 0 | 111.7 | V111 R114 A115 Q163 L207 K208 N212 | V111-L210 HydrophobicContact CG1-CD2 4.2Å; R114-L210 HydrophobicContact CB-CD2 4.23Å; R114-L210 HydrophobicContact CG-CD2 4.15Å; R114-L210 HydrophobicContact CG-CG 4.28Å; A115-L210 HydrophobicContact CB-CD1 4.16Å; A115-L210 HydrophobicContact CB-CD2 3.99Å; Q163-L210 HydrophobicContact CG-CB 4.34Å; Q163-L210 WeakPolarHBondContact CG-O 3.46Å; Q163-L210 PolarHBondContact NE2-O 2.83Å; L207-L210 HydrophobicContact CB-CD1 4.49Å; L207-L210 HydrophobicContact CD2-CD1 3.81Å; L207-L210 WeakPolarHBondContact O-CB 3.03Å; L207-L210 PolarHBondContact O-N 2.9Å; K208-L210 PolarHBondContact O-N 3.37Å; L210-N212 PolarHBondContact O-N 2.83Å |
| 211 | Q | 56.6 | Low | 55 | Low | 118 Ų | 118 | 98.1 Ų | 98.1 | 55% | 0.551 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -78.1 | -20 | -171.9 | -67.3 | -179.8 | 32.9 | 0 | 0 | 114.1 | Q163 K208 | Q163-Q211 WeakPolarHBondContact O-CG 3.49Å; K208-Q211 PolarHBondContact O-N 2.99Å |
| 212 | N | 48.3 | Very low | 53.3 | Low | 101 Ų | 101 | 98.4 Ų | 98.4 | 54% | 0.54 | 56% | 0.559 | S | S | . | * | trans | -112.3 | 118.6 | 178.9 | -114.8 | 11.8 | 0 | 0 | 0 | 110.8 | R114 L210 T214 | R114-N212 PolarHBondContact NH1-O 3.09Å; R114-N212 VanDerWaalsContact NH1-O 3.15Å; L210-N212 PolarHBondContact O-N 2.83Å; N212-T214 WeakPolarHBondContact CB-OG1 3.27Å; N212-T214 PolarHBondContact ND2-OG1 3.5Å; N212-T214 VanDerWaalsContact ND2-OG1 3.11Å; N212-T214 PolarHBondContact O-N 2.78Å | ||
| 213 | P | 45.9 | Very low | 51.5 | Low | 101 Ų | 101 | 103.1 Ų | 103.1 | 66% | 0.656 | 59% | 0.59 | S | S | * | * | trans | -75.7 | 63.5 | 160.6 | 32.5 | -30.4 | 0 | 0 | 0 | 108.6 | V215 | P213-V215 PolarHBondContact O-N 3.25Š| ||
| 214 | T | 40.9 | Very low | 50.5 | Low | 102 Ų | 102 | 104.4 Ų | 104.4 | 63% | 0.626 | 61% | 0.605 | S | S | * | * | trans | -90.3 | 104.7 | 173.4 | -53.2 | 0 | 0 | 0 | 0 | 108.6 | N212 | N212-T214 WeakPolarHBondContact CB-OG1 3.27Å; N212-T214 PolarHBondContact ND2-OG1 3.5Å; N212-T214 VanDerWaalsContact ND2-OG1 3.11Å; N212-T214 PolarHBondContact O-N 2.78Å | ||
| 215 | V | 45.1 | Very low | 49.5 | Very low | 112 Ų | 112 | 108.2 Ų | 108.2 | 68% | 0.679 | 62% | 0.615 | S | S | * | * | trans | -25.5 | 123.5 | 160.8 | -173.8 | 0 | 0 | 0 | 0 | 112 | P213 A217 | P213-V215 PolarHBondContact O-N 3.25Å; V215-A217 PolarHBondContact O-N 3.22Å; V215-A217 VanDerWaalsContact O-N 3.15Å | ||
| 216 | P | 52.2 | Low | 48.6 | Very low | 135 Ų | 135 | 109.7 Ų | 109.7 | 88% | 0.877 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -84.9 | 83.3 | 168.7 | 33.4 | -27.6 | 0 | 0 | 0 | 108.4 | ||
| 217 | A | 49.5 | Very low | 48.2 | Very low | 66 Ų | 66 | 110.1 Ų | 110.1 | 55% | 0.545 | 64% | 0.635 | S | S | . | * | trans | -175.8 | 106.6 | 159.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | V215 | V215-A217 PolarHBondContact O-N 3.22Å; V215-A217 VanDerWaalsContact O-N 3.15Å | ||
| 218 | Q | 39.5 | Very low | 47.2 | Very low | 177 Ų | 177 | 115.5 Ų | 115.5 | 83% | 0.827 | 67% | 0.668 | S | S | * | * | -159.9 | 116.7 | 112.5 | -77.9 | -51.9 | -3.7 | 0 | 0 | 107.6 | |||||
| 219 | D | 41.1 | Very low | 46.7 | Very low | 133 Ų | 133 | 116.9 Ų | 116.9 | 71% | 0.711 | 68% | 0.677 | S | S | * | * | trans | -35.7 | 137.4 | 150.6 | -153.3 | -84.5 | 0 | 0 | 0 | 110.6 | M221 | D219-M221 PolarHBondContact O-N 2.87Š| ||
| 220 | P | 45.5 | Very low | 46 | Very low | 122 Ų | 122 | 119 Ų | 119 | 79% | 0.792 | 69% | 0.69 | S | S | * | * | trans | -65.6 | 82.2 | 169 | -18.1 | 31.8 | 0 | 0 | 0 | 110.1 | V222 | P220-V222 PolarHBondContact O-N 2.95Å; P220-V222 VanDerWaalsContact O-N 3.1Å | ||
| 221 | M | 40.7 | Very low | 45.3 | Very low | 172 Ų | 172 | 121.9 Ų | 121.9 | 85% | 0.847 | 71% | 0.714 | S | S | * | * | trans | -60.5 | 114.6 | 170.4 | -166.4 | 161.2 | 104 | 0 | 0 | 108.1 | D219 | D219-M221 PolarHBondContact O-N 2.87Š| ||
| 222 | V | 50.1 | Low | 44.7 | Very low | 118 Ų | 118 | 125.7 Ų | 125.7 | 72% | 0.715 | 73% | 0.732 | S | S | * | * | trans | -39.8 | 128.1 | 169.3 | -176.4 | 0 | 0 | 0 | 0 | 110 | P220 A224 | P220-V222 PolarHBondContact O-N 2.95Å; P220-V222 VanDerWaalsContact O-N 3.1Å; V222-A224 PolarHBondContact O-N 3.48Å | ||
| 223 | P | 43.8 | Very low | 44.3 | Very low | 113 Ų | 113 | 128.1 Ų | 128.1 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | trans | -76.2 | 95.3 | 172 | 29.9 | -29.4 | 0 | 0 | 0 | 108.4 | Q225 | P223-Q225 PolarHBondContact O-N 3.25Š| ||
| 224 | A | 43.4 | Very low | 44.9 | Very low | 97 Ų | 97 | 127.7 Ų | 127.7 | 80% | 0.802 | 74% | 0.742 | S | S | * | * | trans | -69.6 | 101.7 | 160.8 | 0 | 0 | 0 | 0 | 0 | 108 | V222 | V222-A224 PolarHBondContact O-N 3.48Š| ||
| 225 | Q | 41.9 | Very low | 44.8 | Very low | 179 Ų | 179 | 129.9 Ų | 129.9 | 84% | 0.836 | 76% | 0.756 | S | S | * | * | trans | -88.4 | 103 | 163 | -68.8 | -118.4 | -10.5 | 0 | 0 | 107.5 | P223 | P223-Q225 PolarHBondContact O-N 3.25Š| ||
| 226 | D | 38.7 | Very low | 44.8 | Very low | 131 Ų | 131 | 132 Ų | 132 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | trans | -85.7 | 122 | 159.5 | -178.2 | -89.2 | 0 | 0 | 0 | 108 | T228 | D226-T228 PolarHBondContact OD1-N 3.35Å; D226-T228 PolarHBondContact OD1-OG1 3.07Å | ||
| 227 | P | 50.9 | Low | 44.7 | Very low | 117 Ų | 117 | 131 Ų | 131 | 76% | 0.76 | 75% | 0.752 | S | S | * | * | trans | -97.2 | 110.1 | 159 | 9.9 | 10 | 0 | 0 | 0 | 108.6 | ||||
| 228 | T | 41.1 | Very low | 44.5 | Very low | 123 Ų | 123 | 133.1 Ų | 133.1 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | trans | -52.5 | 136.2 | 166 | -52.2 | 0 | 0 | 0 | 0 | 111.5 | D226 | D226-T228 PolarHBondContact OD1-N 3.35Å; D226-T228 PolarHBondContact OD1-OG1 3.07Å | ||
| 229 | E | 46.8 | Very low | 44.7 | Very low | 157 Ų | 157 | 134 Ų | 134 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | trans | -44.1 | 160.9 | 174.9 | -142.3 | -169 | 87.2 | 0 | 0 | 115.7 | A231 | E229-A231 PolarHBondContact OE1-N 3.5Š| ||
| 230 | P | 45.2 | Very low | 44.7 | Very low | 121 Ų | 121 | 134.7 Ų | 134.7 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | -144.9 | 135.7 | 96.7 | 34.4 | -17.1 | 0 | 0 | 0 | 116.6 | |||||
| 231 | A | 44.8 | Very low | 45 | Very low | 64 Ų | 64 | 133.5 Ų | 133.5 | 53% | 0.529 | 76% | 0.758 | S | S | . | * | trans | 35.9 | 110.6 | 137 | 0 | 0 | 0 | 0 | 0 | 121.4 | E229 | E229-A231 PolarHBondContact OE1-N 3.5Š| ||
| 232 | Q | 42.5 | Very low | 45.2 | Very low | 198 Ų | 198 | 131.1 Ų | 131.1 | 93% | 0.925 | 75% | 0.753 | S | S | * | * | trans | -140.8 | 128.9 | 134.6 | -72.3 | -66.1 | -57.9 | 0 | 0 | 109.6 | ||||
| 233 | D | 40.2 | Very low | 45.2 | Very low | 153 Ų | 153 | 133 Ų | 133 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | -77.8 | -171.8 | -177.8 | -162.1 | -135.5 | 0 | 0 | 0 | 111.5 | ||||
| 234 | P | 58.4 | Low | 45.6 | Very low | 91 Ų | 91 | 133.1 Ų | 133.1 | 59% | 0.591 | 76% | 0.755 | S | S | * | * | -122.9 | 154.9 | -99.5 | 39.1 | -20.9 | 0 | 0 | 0 | 112.4 | |||||
| 235 | T | 38.8 | Very low | 45.5 | Very low | 149 Ų | 149 | 133.6 Ų | 133.6 | 91% | 0.914 | 75% | 0.748 | S | S | * | * | trans | -158.1 | 118.1 | 148.5 | -22 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 236 | E | 46.2 | Very low | 45.9 | Very low | 156 Ų | 156 | 133.3 Ų | 133.3 | 73% | 0.729 | 75% | 0.747 | S | S | * | * | trans | -49.7 | 167.8 | 158.6 | -93.6 | -150.6 | 108.3 | 0 | 0 | 113.3 | ||||
| 237 | P | 48.7 | Very low | 46.4 | Very low | 114 Ų | 114 | 133.5 Ų | 133.5 | 74% | 0.74 | 75% | 0.748 | S | S | * | * | cis | -145.8 | 159.6 | 36.3 | 33.9 | -10.2 | 0 | 0 | 0 | 119.7 | ||||
| 238 | V | 46.2 | Very low | 46.8 | Very low | 110 Ų | 110 | 134 Ų | 134 | 67% | 0.667 | 75% | 0.751 | S | S | * | * | trans | 18.5 | 124.3 | 138 | 167.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 239 | Q | 44.5 | Very low | 47.2 | Very low | 195 Ų | 195 | 131 Ų | 131 | 91% | 0.911 | 75% | 0.745 | S | S | * | * | -155.5 | 116.8 | 122.1 | -63.5 | -157.2 | 33.3 | 0 | 0 | 111.6 | |||||
| 240 | N | 39.5 | Very low | 47.1 | Very low | 148 Ų | 148 | 129.5 Ų | 129.5 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | trans | -85.2 | 173.7 | 148.9 | -136.6 | -82.5 | 0 | 0 | 0 | 106.8 | ||||
| 241 | P | 53.1 | Low | 47.2 | Very low | 98 Ų | 98 | 132.7 Ų | 132.7 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | cis | -125.8 | -177.3 | -1.6 | 26 | -0.1 | 0 | 0 | 0 | 111.2 | ||||
| 242 | T | 44.9 | Very low | 47.5 | Very low | 122 Ų | 122 | 139.3 Ų | 139.3 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | 171.1 | 137.2 | 64.9 | -35.6 | 0 | 0 | 0 | 0 | 108 | |||||
| 243 | E | 48.7 | Very low | 47.7 | Very low | 158 Ų | 158 | 136.4 Ų | 136.4 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | trans | -73.1 | 158.1 | 161.8 | -146.9 | -171.2 | 108.9 | 0 | 0 | 110.1 | T245 | E243-T245 PolarHBondContact OE1-N 3.45Š| ||
| 244 | P | 52.7 | Low | 48.1 | Very low | 115 Ų | 115 | 135.5 Ų | 135.5 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | -147.8 | 135.2 | 107.8 | 32.5 | -14.1 | 0 | 0 | 0 | 115.9 | |||||
| 245 | T | 42.4 | Very low | 47.5 | Very low | 107 Ų | 107 | 137.9 Ų | 137.9 | 66% | 0.656 | 80% | 0.8 | S | S | * | * | 43.2 | 113.1 | 116.6 | -49.7 | 0 | 0 | 0 | 0 | 120.9 | E243 | E243-T245 PolarHBondContact OE1-N 3.45Š| |||
| 246 | Q | 49.2 | Very low | 48.1 | Very low | 173 Ų | 173 | 137.3 Ų | 137.3 | 81% | 0.808 | 79% | 0.793 | S | S | * | * | trans | 8.2 | 142.3 | 139.6 | -65.2 | -174.9 | 49.5 | 0 | 0 | 123.2 | ||||
| 247 | N | 49.5 | Very low | 48.2 | Very low | 134 Ų | 134 | 136.1 Ų | 136.1 | 72% | 0.717 | 80% | 0.797 | S | S | * | * | trans | 93.1 | 132.6 | 138.3 | -126.2 | -34.5 | 0 | 0 | 0 | 119.8 | ||||
| 248 | P | 59.4 | Low | 48.1 | Very low | 128 Ų | 128 | 137.6 Ų | 137.6 | 83% | 0.831 | 80% | 0.801 | S | S | * | * | trans | -126.6 | 117.9 | 141.1 | 32.3 | -17.9 | 0 | 0 | 0 | 111.7 | ||||
| 249 | G | 48.4 | Very low | 48.3 | Very low | 61 Ų | 61 | 139.6 Ų | 139.6 | 63% | 0.629 | 81% | 0.811 | S | S | * | * | trans | -101.3 | 132.5 | 162.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 250 | C | 46.6 | Very low | 48.6 | Very low | 124 Ų | 124 | 135.3 Ų | 135.3 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | trans | 66.3 | 118.2 | 150.2 | -55.3 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 251 | Q | 46.1 | Very low | 49.3 | Very low | 189 Ų | 189 | 134.3 Ų | 134.3 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | 146.4 | 121.6 | 110.2 | -76.9 | -160.7 | 82.8 | 0 | 0 | 112.1 | |||||
| 252 | S | 50.7 | Low | 49 | Very low | 202 Ų | 202 | 137.5 Ų | 137.5 | 100% | 1.413 | 82% | 0.819 | S | S | * | * | -171 | 0 | 125.7 | -73.8 | 0 | 0 | 0 | 0 | 109.2 |
Retrieved 252 of 252 residues in 98.2 ms
(Link to these results)