| 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 | 40.7 | Very low | 50 | Low | 241 Ų | 241 | 166.5 Ų | 166.5 | 100% | 1.187 | 86% | 0.858 | S | S | * | * | 0 | 104.9 | 0 | -84 | 173.6 | -177.8 | 0 | 0 | 108 | |||||
| 2 | E | 46.6 | Very low | 50.2 | Low | 176 Ų | 176 | 162.4 Ų | 162.4 | 82% | 0.822 | 85% | 0.851 | S | S | * | * | trans | -55.8 | 140.4 | 174 | -66.2 | 156 | 117.8 | 0 | 0 | 110.8 | ||||
| 3 | K | 52 | Low | 50.1 | Low | 206 Ų | 206 | 158.8 Ų | 158.8 | 90% | 0.896 | 84% | 0.839 | S | S | * | * | trans | -119.2 | 105.7 | 161.3 | -72.3 | -170 | 179.2 | -178.4 | 0 | 107.7 | ||||
| 4 | M | 45.2 | Very low | 49.8 | Very low | 168 Ų | 168 | 161.6 Ų | 161.6 | 83% | 0.828 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 134.1 | -173.3 | -60.4 | 173.1 | -177.8 | 0 | 0 | 111.5 | ||
| 5 | A | 49.9 | Very low | 49.6 | Very low | 100 Ų | 100 | 161.2 Ų | 161.2 | 83% | 0.826 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -65 | 129.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 6 | R | 57.8 | Low | 49.6 | Very low | 234 Ų | 234 | 156.8 Ų | 156.8 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 122.5 | 178.4 | -164.7 | -174.7 | -84.9 | -157.6 | -4 | 108.6 | ||
| 7 | P | 53.4 | Low | 49.7 | Very low | 120 Ų | 120 | 154.6 Ų | 154.6 | 78% | 0.779 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -75 | 131.1 | 176.3 | 28.4 | -30.2 | 0 | 0 | 0 | 110.2 | ||
| 8 | L | 53.8 | Low | 50.1 | Low | 159 Ų | 159 | 152.8 Ų | 152.8 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 142.7 | 170.4 | -68.5 | 170.4 | 0 | 0 | 0 | 109.7 | I10 | L8-I10 PolarHBondContact O-N 3.33Š|
| 9 | P | 54.6 | Low | 50.4 | Low | 122 Ų | 122 | 151 Ų | 151 | 79% | 0.792 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 123.4 | 177.6 | 27.5 | -32.1 | 0 | 0 | 0 | 110.9 | N11 | P9-N11 PolarHBondContact O-N 2.75Š|
| 10 | I | 53.8 | Low | 50.6 | Low | 163 Ų | 163 | 145.8 Ų | 145.8 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | trans | -70.6 | 115.1 | 169.8 | -67.3 | 165.5 | 0 | 0 | 0 | 107.7 | L8 | L8-I10 PolarHBondContact O-N 3.33Š| ||
| 11 | N | 42.4 | Very low | 51.3 | Low | 142 Ų | 142 | 144.6 Ų | 144.6 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | trans | -69.5 | 123.4 | 169.7 | -110.6 | -49.3 | 0 | 0 | 0 | 109.4 | P9 T13 | P9-N11 PolarHBondContact O-N 2.75Å; N11-T13 VanDerWaalsContact C-N 3.29Å; N11-T13 PolarHBondContact O-N 3.48Å; N11-T13 VanDerWaalsContact O-N 3.16Å | ||
| 12 | P | 51.9 | Low | 52.1 | Low | 118 Ų | 118 | 139.4 Ų | 139.4 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -90.4 | 46 | -175.2 | 38.1 | -35.8 | 0 | 0 | 0 | 112.6 | ||
| 13 | T | 49.1 | Very low | 52.9 | Low | 115 Ų | 115 | 135.2 Ų | 135.2 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | trans | -124.5 | 18.5 | -172.8 | -40.1 | 0 | 0 | 0 | 0 | 114 | N11 | N11-T13 VanDerWaalsContact C-N 3.29Å; N11-T13 PolarHBondContact O-N 3.48Å; N11-T13 VanDerWaalsContact O-N 3.16Å | ||
| 14 | F | 45.6 | Very low | 53.6 | Low | 198 Ų | 198 | 128.9 Ų | 128.9 | 87% | 0.868 | 72% | 0.722 | S | S | * | * | trans | -132.2 | 69.5 | 170.1 | -125.7 | -93.6 | 0 | 0 | 0 | 111.1 | ||||
| 15 | L | 48 | Very low | 54.7 | Low | 156 Ų | 156 | 125.7 Ų | 125.7 | 82% | 0.817 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 119.7 | 154 | -69.6 | 173.8 | 0 | 0 | 0 | 107.1 | ||
| 16 | P | 48.3 | Very low | 55.7 | Low | 91 Ų | 91 | 127.5 Ų | 127.5 | 59% | 0.591 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 142.8 | 168.7 | 26.9 | -31.9 | 0 | 0 | 0 | 108.3 | T18 | P16-T18 PolarHBondContact O-N 3.04Š|
| 17 | P | 52.1 | Low | 56.4 | Low | 120 Ų | 120 | 122.3 Ų | 122.3 | 78% | 0.779 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 117 | 176.7 | -24.6 | 33.2 | 0 | 0 | 0 | 110 | H19 | P17-H19 PolarHBondContact O-N 3.03Å; P17-H19 VanDerWaalsContact O-N 3.14Å |
| 18 | T | 56.8 | Low | 57.1 | Low | 122 Ų | 122 | 122.3 Ų | 122.3 | 75% | 0.748 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -71.2 | -4.8 | -175 | 47.1 | 0 | 0 | 0 | 0 | 113.5 | P16 | P16-T18 PolarHBondContact O-N 3.04Š|
| 19 | H | 55.1 | Low | 57.9 | Low | 118 Ų | 118 | 119.2 Ų | 119.2 | 55% | 0.546 | 67% | 0.671 | S | S | . | * | S | Bend | trans | -134.7 | 103.1 | 176 | -63.4 | -42.2 | 0 | 0 | 0 | 109.2 | P17 K23 | P17-H19 PolarHBondContact O-N 3.03Å; P17-H19 VanDerWaalsContact O-N 3.14Å; H19-K23 HydrophobicContact CB-CB 4.48Å; H19-K23 HydrophobicContact CB-CD 4.08Å; H19-K23 WeakPolarHBondContact ND1-CD 3.4Å |
| 20 | G | 55.3 | Low | 58.3 | Low | 47 Ų | 47 | 120.7 Ų | 120.7 | 49% | 0.485 | 67% | 0.672 | S | S | . | * | trans | -59.2 | 153.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.3 | L22 K23 | G20-L22 PolarHBondContact O-N 3.49Å; G20-K23 PolarHBondContact O-N 2.99Å | ||
| 21 | V | 65.6 | Low | 58.2 | Low | 120 Ų | 120 | 122.4 Ų | 122.4 | 73% | 0.727 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -44.3 | -30.5 | 174 | 177.9 | 0 | 0 | 0 | 0 | 112.3 | S24 L25 | V21-S24 PolarHBondContact O-N 3.13Å; V21-L25 HydrophobicContact CG1-CD1 3.94Å; V21-L25 WeakPolarHBondContact O-CD1 2.96Å; V21-L25 PolarHBondContact O-N 3.27Å |
| 22 | L | 57.2 | Low | 58.5 | Low | 132 Ų | 132 | 122.1 Ų | 122.1 | 69% | 0.691 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -66.1 | -40 | 176.9 | -153.6 | 76.2 | 0 | 0 | 0 | 114 | G20 L25 L26 | G20-L22 PolarHBondContact O-N 3.49Å; L22-L25 PolarHBondContact O-N 2.83Å; L22-L26 HydrophobicContact CG-CD1 4.33Å; L22-L26 WeakPolarHBondContact O-CB 3.36Å; L22-L26 WeakPolarHBondContact O-CD1 3.34Å; L22-L26 VanDerWaalsContact O-CG 3.31Å; L22-L26 WeakPolarHBondContact O-CG 3.05Å; L22-L26 PolarHBondContact O-N 3.42Å |
| 23 | K | 62.6 | Low | 58 | Low | 88 Ų | 88 | 122.5 Ų | 122.5 | 38% | 0.383 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -67.6 | -39.8 | 177 | -169.3 | -179.5 | 179.3 | -79.2 | 0 | 110.6 | H19 G20 L25 L26 E27 | H19-K23 HydrophobicContact CB-CB 4.48Å; H19-K23 HydrophobicContact CB-CD 4.08Å; H19-K23 WeakPolarHBondContact ND1-CD 3.4Å; G20-K23 PolarHBondContact O-N 2.99Å; K23-L25 PolarHBondContact O-N 3.37Å; K23-L26 PolarHBondContact O-N 3.04Å; K23-E27 IonicContact NZ-OE2 2.8Å; K23-E27 PolarHBondContact NZ-OE2 3.27Å; K23-E27 WeakPolarHBondContact O-CB 3.29Å; K23-E27 PolarHBondContact O-N 2.89Å |
| 24 | S | 66.8 | Low | 57.5 | Low | 73 Ų | 73 | 125.4 Ų | 125.4 | 51% | 0.51 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -62.9 | -40.6 | 175.1 | -172.3 | 0 | 0 | 0 | 0 | 112.3 | V21 N28 | V21-S24 PolarHBondContact O-N 3.13Å; S24-N28 PolarHBondContact O-N 2.98Å |
| 25 | L | 68.8 | Low | 57 | Low | 101 Ų | 101 | 123.9 Ų | 123.9 | 53% | 0.529 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -68.5 | -32.7 | 175.4 | -105.9 | 94.5 | 0 | 0 | 0 | 113.8 | V21 L22 K23 N28 | V21-L25 HydrophobicContact CG1-CD1 3.94Å; V21-L25 WeakPolarHBondContact O-CD1 2.96Å; V21-L25 PolarHBondContact O-N 3.27Å; L22-L25 PolarHBondContact O-N 2.83Å; K23-L25 PolarHBondContact O-N 3.37Å; L25-N28 CarbonylContact O-C 3.49Å |
| 26 | L | 69.8 | Low | 56.6 | Low | 139 Ų | 139 | 124.2 Ų | 124.2 | 73% | 0.728 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -78.4 | -34.5 | 177.9 | -75 | 165.1 | 0 | 0 | 0 | 112.2 | L22 K23 | L22-L26 HydrophobicContact CG-CD1 4.33Å; L22-L26 WeakPolarHBondContact O-CB 3.36Å; L22-L26 WeakPolarHBondContact O-CD1 3.34Å; L22-L26 VanDerWaalsContact O-CG 3.31Å; L22-L26 WeakPolarHBondContact O-CG 3.05Å; L22-L26 PolarHBondContact O-N 3.42Å; K23-L26 PolarHBondContact O-N 3.04Å |
| 27 | E | 73.1 | Confident | 55.9 | Low | 125 Ų | 125 | 126.4 Ų | 126.4 | 58% | 0.584 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -80.8 | -29.3 | -179.5 | -158.8 | 166.9 | 174.2 | 0 | 0 | 111.6 | K23 | K23-E27 IonicContact NZ-OE2 2.8Å; K23-E27 PolarHBondContact NZ-OE2 3.27Å; K23-E27 WeakPolarHBondContact O-CB 3.29Å; K23-E27 PolarHBondContact O-N 2.89Å |
| 28 | N | 68.4 | Low | 55.2 | Low | 120 Ų | 120 | 129 Ų | 129 | 64% | 0.642 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -133.9 | 85.9 | 173.1 | -73.1 | -49.9 | 0 | 0 | 0 | 111.1 | S24 L25 L30 | S24-N28 PolarHBondContact O-N 2.98Å; L25-N28 CarbonylContact O-C 3.49Å; N28-L30 PolarHBondContact O-N 3.21Å |
| 29 | P | 70.3 | Confident | 54 | Low | 94 Ų | 94 | 126.2 Ų | 126.2 | 61% | 0.61 | 67% | 0.672 | S | S | * | * | trans | -62.5 | 125.3 | 173.3 | 25.3 | -32.5 | 0 | 0 | 0 | 109.4 | K31 | P29-K31 PolarHBondContact O-N 3.15Š| ||
| 30 | L | 62.9 | Low | 52.7 | Low | 152 Ų | 152 | 131.2 Ų | 131.2 | 80% | 0.796 | 69% | 0.693 | S | S | * | * | trans | -58.1 | 107.2 | 173.2 | -68.8 | 170 | 0 | 0 | 0 | 108.4 | N28 L32 | N28-L30 PolarHBondContact O-N 3.21Å; L30-L32 VanDerWaalsContact C-N 3.32Å; L30-L32 PolarHBondContact O-N 2.98Å | ||
| 31 | K | 52.9 | Low | 51.6 | Low | 200 Ų | 200 | 132.5 Ų | 132.5 | 87% | 0.87 | 71% | 0.706 | S | S | * | * | trans | -67.9 | 94.7 | 170.1 | -69.7 | -177.1 | -179.2 | -179.5 | 0 | 107.8 | P29 | P29-K31 PolarHBondContact O-N 3.15Š| ||
| 32 | L | 48.8 | Very low | 50.2 | Low | 135 Ų | 135 | 136.3 Ų | 136.3 | 71% | 0.707 | 71% | 0.713 | S | S | * | * | trans | -58.5 | 130.7 | 164.1 | -77.9 | 162.4 | 0 | 0 | 0 | 108.1 | L30 F34 | L30-L32 VanDerWaalsContact C-N 3.32Å; L30-L32 PolarHBondContact O-N 2.98Å; L32-F34 PolarHBondContact O-N 3.06Å | ||
| 33 | P | 41.2 | Very low | 49.1 | Very low | 126 Ų | 126 | 137.6 Ų | 137.6 | 82% | 0.818 | 72% | 0.72 | S | S | * | * | trans | -65.8 | 99.1 | 171.4 | -16.2 | 29.6 | 0 | 0 | 0 | 109 | H35 | P33-H35 PolarHBondContact O-N 3.4Š| ||
| 34 | F | 38.4 | Very low | 47.8 | Very low | 177 Ų | 177 | 141.7 Ų | 141.7 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | trans | -73 | 103.1 | 159.3 | -78.1 | -82.9 | 0 | 0 | 0 | 106.9 | L32 H36 | L32-F34 PolarHBondContact O-N 3.06Å; F34-H36 VanDerWaalsContact C-N 3.27Å; F34-H36 PolarHBondContact O-N 3.08Å | ||
| 35 | H | 33.9 | Very low | 46.3 | Very low | 165 Ų | 165 | 145.5 Ų | 145.5 | 76% | 0.764 | 75% | 0.748 | S | S | * | * | trans | -71.3 | 88.1 | 168.7 | -162.1 | -57.4 | 0 | 0 | 0 | 107.8 | P33 D37 | P33-H35 PolarHBondContact O-N 3.4Å; H35-D37 PolarHBondContact O-N 3.46Å | ||
| 36 | H | 39.8 | Very low | 44.7 | Very low | 164 Ų | 164 | 149.4 Ų | 149.4 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | trans | -76.2 | 103.2 | 157.2 | -96.3 | -85.3 | 0 | 0 | 0 | 106.7 | F34 | F34-H36 VanDerWaalsContact C-N 3.27Å; F34-H36 PolarHBondContact O-N 3.08Å | ||
| 37 | D | 33.6 | Very low | 43.3 | Very low | 136 Ų | 136 | 152.1 Ų | 152.1 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | -94 | 115.6 | 160.3 | -153.6 | 32.4 | 0 | 0 | 0 | 107.9 | H35 | H35-D37 PolarHBondContact O-N 3.46Š| ||
| 38 | E | 38.2 | Very low | 41.6 | Very low | 175 Ų | 175 | 155.4 Ų | 155.4 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -76.1 | 128.6 | 171.4 | -75.9 | -91.7 | 150.9 | 0 | 0 | 108.8 | ||||
| 39 | G | 31.7 | Very low | 40.2 | Very low | 63 Ų | 63 | 159.5 Ų | 159.5 | 65% | 0.649 | 79% | 0.794 | S | S | * | * | trans | -169.1 | 71.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 40 | F | 27.4 | Very low | 38.5 | Very low | 224 Ų | 224 | 162 Ų | 162 | 98% | 0.982 | 80% | 0.801 | S | S | * | * | trans | 70.7 | 123.3 | 148.5 | -83.4 | -97.8 | 0 | 0 | 0 | 121.6 | ||||
| 41 | G | 31.1 | Very low | 37 | Very low | 73 Ų | 73 | 163 Ų | 163 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | trans | 157 | 84.5 | 151.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 42 | K | 36.4 | Very low | 36.2 | Very low | 200 Ų | 200 | 160.5 Ų | 160.5 | 87% | 0.87 | 80% | 0.798 | S | S | * | * | trans | -55.1 | 135.5 | 162.3 | -82.5 | 174.3 | 170.8 | 173.4 | 0 | 109.8 | ||||
| 43 | D | 34.5 | Very low | 35.5 | Very low | 160 Ų | 160 | 161.7 Ų | 161.7 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | -170.1 | 156.6 | 117.8 | -95.4 | -27.3 | 0 | 0 | 0 | 113.6 | |||||
| 44 | K | 36.6 | Very low | 35.1 | Very low | 173 Ų | 173 | 159.7 Ų | 159.7 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | trans | -72.6 | 166.2 | -164.3 | -71.1 | 174.5 | 162.1 | -172.4 | 0 | 115.7 | ||||
| 45 | E | 35 | Very low | 34.8 | Very low | 153 Ų | 153 | 156.8 Ų | 156.8 | 72% | 0.715 | 79% | 0.791 | S | S | * | * | trans | 77.7 | 107.2 | 140.2 | -90.7 | 172.2 | -144.2 | 0 | 0 | 119.1 | ||||
| 46 | K | 33.8 | Very low | 34.9 | Very low | 184 Ų | 184 | 155.6 Ų | 155.6 | 80% | 0.8 | 80% | 0.795 | S | S | * | * | 175.2 | 118 | 101.3 | -97.2 | 166.6 | -175.8 | 172 | 0 | 111.5 | |||||
| 47 | E | 40.4 | Very low | 34.7 | Very low | 195 Ų | 195 | 151.2 Ų | 151.2 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | trans | -62.9 | 132.1 | 154.1 | -73.1 | -178.3 | 137.2 | 0 | 0 | 109.7 | ||||
| 48 | K | 37.7 | Very low | 35.2 | Very low | 195 Ų | 195 | 150.1 Ų | 150.1 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | trans | -143.6 | 111.2 | 150.8 | -84 | -166.3 | 175.5 | -177.1 | 0 | 109.3 | ||||
| 49 | K | 38.6 | Very low | 35.2 | Very low | 206 Ų | 206 | 149.1 Ų | 149.1 | 90% | 0.896 | 79% | 0.786 | S | S | * | * | trans | -68.2 | 147.4 | 154.9 | -82.8 | -176.4 | 168.2 | -166.6 | 0 | 109.8 | ||||
| 50 | L | 35.8 | Very low | 35.9 | Very low | 146 Ų | 146 | 151.9 Ų | 151.9 | 76% | 0.764 | 79% | 0.792 | S | S | * | * | trans | -175.4 | 106.6 | 147.2 | -95 | 158.1 | 0 | 0 | 0 | 105.8 | ||||
| 51 | E | 32.1 | Very low | 37.1 | Very low | 174 Ų | 174 | 150.3 Ų | 150.3 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | 66.2 | 99.9 | 105.5 | -71.3 | -178.6 | -179 | 0 | 0 | 112.4 | |||||
| 52 | D | 35.3 | Very low | 38 | Very low | 147 Ų | 147 | 151.5 Ų | 151.5 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | 67.5 | 103.2 | 90.5 | -162.9 | 39.2 | 0 | 0 | 0 | 113.8 | |||||
| 53 | E | 33.6 | Very low | 38.8 | Very low | 160 Ų | 160 | 146.7 Ų | 146.7 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | 171.8 | 133.7 | 124.9 | -107.4 | -86.2 | 88.3 | 0 | 0 | 112.1 | |||||
| 54 | S | 32.6 | Very low | 39.8 | Very low | 84 Ų | 84 | 146.8 Ų | 146.8 | 59% | 0.587 | 78% | 0.775 | S | S | * | * | trans | 44.9 | 97.2 | 146.4 | -157 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 55 | S | 32.1 | Very low | 40.8 | Very low | 116 Ų | 116 | 144.4 Ų | 144.4 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | trans | -149.1 | 103.2 | 138.9 | -73.8 | 0 | 0 | 0 | 0 | 107.6 | A57 | S55-A57 PolarHBondContact O-N 3.13Š| ||
| 56 | T | 35.6 | Very low | 42.1 | Very low | 140 Ų | 140 | 137.5 Ų | 137.5 | 86% | 0.859 | 74% | 0.74 | S | S | * | * | trans | -54.6 | 91.6 | 167 | 47.4 | 0 | 0 | 0 | 0 | 108.6 | S58 | T56-S58 PolarHBondContact O-N 3.03Š| ||
| 57 | A | 37 | Very low | 43.3 | Very low | 72 Ų | 72 | 132.5 Ų | 132.5 | 60% | 0.595 | 73% | 0.726 | S | S | * | * | trans | -65.7 | 100.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | S55 H59 | S55-A57 PolarHBondContact O-N 3.13Å; A57-H59 PolarHBondContact O-N 3.2Å; A57-H59 PolarHBondContact O-ND1 3.22Å | ||
| 58 | S | 43.3 | Very low | 43.8 | Very low | 113 Ų | 113 | 128.1 Ų | 128.1 | 79% | 0.79 | 71% | 0.713 | S | S | * | * | trans | -61.6 | 91.7 | 157.2 | 71.8 | 0 | 0 | 0 | 0 | 106.4 | T56 | T56-S58 PolarHBondContact O-N 3.03Š| ||
| 59 | H | 39 | Very low | 44.6 | Very low | 154 Ų | 154 | 123.5 Ų | 123.5 | 71% | 0.713 | 70% | 0.697 | S | S | * | * | trans | -54.7 | 127.9 | 169 | -88.4 | 64 | 0 | 0 | 0 | 106.9 | A57 Q61 | A57-H59 PolarHBondContact O-N 3.2Å; A57-H59 PolarHBondContact O-ND1 3.22Å; H59-Q61 VanDerWaalsContact C-N 3.33Å; H59-Q61 PolarHBondContact O-N 3.31Å | ||
| 60 | P | 46 | Very low | 45.4 | Very low | 121 Ų | 121 | 123.6 Ų | 123.6 | 79% | 0.786 | 69% | 0.692 | S | S | * | * | trans | -60.2 | 106.2 | 165.2 | 25.3 | -30.2 | 0 | 0 | 0 | 105.8 | S62 | P60-S62 PolarHBondContact O-N 3.09Š| ||
| 61 | Q | 52.2 | Low | 46.3 | Very low | 191 Ų | 191 | 122.5 Ų | 122.5 | 89% | 0.893 | 69% | 0.687 | S | S | * | * | trans | -58.3 | 109.1 | 170.9 | -87.8 | -174.4 | -56.4 | 0 | 0 | 106.4 | H59 A63 | H59-Q61 VanDerWaalsContact C-N 3.33Å; H59-Q61 PolarHBondContact O-N 3.31Å; Q61-A63 PolarHBondContact O-N 2.99Å | ||
| 62 | S | 50.4 | Low | 47.5 | Very low | 98 Ų | 98 | 122.5 Ų | 122.5 | 69% | 0.685 | 68% | 0.684 | S | S | * | * | trans | -38.7 | 120 | 172.2 | -174.5 | 0 | 0 | 0 | 0 | 110.3 | P60 F64 | P60-S62 PolarHBondContact O-N 3.09Å; S62-F64 PolarHBondContact O-N 2.88Å; S62-F64 WeakPolarHBondContact OG-CB 3.28Å | ||
| 63 | A | 52.4 | Low | 48.4 | Very low | 99 Ų | 99 | 121.2 Ų | 121.2 | 82% | 0.818 | 68% | 0.681 | S | S | * | * | trans | -72.1 | 47.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q61 L65 | Q61-A63 PolarHBondContact O-N 2.99Å; A63-L65 PolarHBondContact O-N 3.5Å | ||
| 64 | F | 56.8 | Low | 49.4 | Very low | 161 Ų | 161 | 120.7 Ų | 120.7 | 71% | 0.706 | 68% | 0.683 | S | S | * | * | trans | -75.7 | 82.3 | 173.5 | -175.5 | -103.3 | 0 | 0 | 0 | 107.9 | S62 G66 | S62-F64 PolarHBondContact O-N 2.88Å; S62-F64 WeakPolarHBondContact OG-CB 3.28Å; F64-G66 PolarHBondContact O-N 2.92Å | ||
| 65 | L | 57.1 | Low | 50.4 | Low | 124 Ų | 124 | 122.7 Ų | 122.7 | 65% | 0.649 | 69% | 0.694 | S | S | * | * | trans | -70.6 | 80.5 | 159.9 | -64.7 | 175.5 | 0 | 0 | 0 | 106.7 | A63 L69 | A63-L65 PolarHBondContact O-N 3.5Å; L65-L69 HydrophobicContact CB-CD1 4.38Å; L65-L69 HydrophobicContact CD1-CD1 4.17Å; L65-L69 HydrophobicContact CD2-CD1 3.57Å; L65-L69 HydrophobicContact CG-CD1 4.24Å | ||
| 66 | G | 61.5 | Low | 51 | Low | 8 Ų | 8 | 125.9 Ų | 125.9 | 8% | 0.082 | 69% | 0.69 | C | S | . | * | trans | -56.7 | -178.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F64 T68 L69 | F64-G66 PolarHBondContact O-N 2.92Å; G66-T68 PolarHBondContact O-N 3.22Å; G66-T68 PolarHBondContact O-OG1 2.96Å; G66-L69 PolarHBondContact O-N 3.32Å | ||
| 67 | P | 59 | Low | 51.7 | Low | 78 Ų | 78 | 125.8 Ų | 125.8 | 51% | 0.506 | 68% | 0.684 | S | S | . | * | G | 310 helix | trans | -52.9 | -17.3 | -176 | -25.5 | 33.7 | 0 | 0 | 0 | 115.1 | L69 W70 D71 | P67-L69 PolarHBondContact O-N 3.5Å; P67-W70 PolarHBondContact O-N 2.81Å; P67-D71 VanDerWaalsContact CB-OD2 3.24Å; P67-D71 WeakPolarHBondContact CB-OD2 3.48Å; P67-D71 WeakPolarHBondContact O-CB 3.26Å; P67-D71 PolarHBondContact O-N 2.76Å |
| 68 | T | 52.5 | Low | 52.5 | Low | 103 Ų | 103 | 124.2 Ų | 124.2 | 63% | 0.632 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -55.3 | -22.4 | -179.8 | 39.9 | 0 | 0 | 0 | 0 | 115.9 | G66 | G66-T68 PolarHBondContact O-N 3.22Å; G66-T68 PolarHBondContact O-OG1 2.96Å |
| 69 | L | 53.7 | Low | 53 | Low | 98 Ų | 98 | 126.7 Ų | 126.7 | 51% | 0.513 | 68% | 0.68 | S | S | . | * | G | 310 helix | trans | -89.2 | -20.8 | 177 | -128.3 | 137 | 0 | 0 | 0 | 113.5 | L65 G66 P67 | L65-L69 HydrophobicContact CB-CD1 4.38Å; L65-L69 HydrophobicContact CD1-CD1 4.17Å; L65-L69 HydrophobicContact CD2-CD1 3.57Å; L65-L69 HydrophobicContact CG-CD1 4.24Å; G66-L69 PolarHBondContact O-N 3.32Å; P67-L69 PolarHBondContact O-N 3.5Å |
| 70 | W | 55.4 | Low | 53.6 | Low | 208 Ų | 208 | 124.9 Ų | 124.9 | 79% | 0.788 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | -24 | -177.3 | -56.4 | 98.3 | 0 | 0 | 0 | 112.8 | P67 | P67-W70 PolarHBondContact O-N 2.81Š|
| 71 | D | 54.2 | Low | 53.6 | Low | 123 Ų | 123 | 126 Ų | 126 | 66% | 0.658 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -81 | -15.4 | 176.5 | -74.4 | -21.4 | 0 | 0 | 0 | 113.2 | P67 T73 | P67-D71 VanDerWaalsContact CB-OD2 3.24Å; P67-D71 WeakPolarHBondContact CB-OD2 3.48Å; P67-D71 WeakPolarHBondContact O-CB 3.26Å; P67-D71 PolarHBondContact O-N 2.76Å; D71-T73 PolarHBondContact O-N 2.86Å |
| 72 | K | 56.9 | Low | 53.7 | Low | 175 Ų | 175 | 124.1 Ų | 124.1 | 76% | 0.761 | 66% | 0.659 | S | S | * | * | trans | -81.5 | 65.3 | 165.1 | -68.9 | -176.8 | 178.8 | -176.7 | 0 | 109.1 | L74 | K72-L74 PolarHBondContact O-N 3.21Å; K72-L74 VanDerWaalsContact O-N 3.1Å | ||
| 73 | T | 54.3 | Low | 53.9 | Low | 119 Ų | 119 | 125 Ų | 125 | 73% | 0.73 | 66% | 0.655 | S | S | * | * | trans | -62.8 | 113.9 | 168.3 | -32 | 0 | 0 | 0 | 0 | 106.8 | D71 | D71-T73 PolarHBondContact O-N 2.86Š| ||
| 74 | L | 55.3 | Low | 54.3 | Low | 150 Ų | 150 | 128.2 Ų | 128.2 | 79% | 0.785 | 65% | 0.654 | S | S | * | * | trans | -50.2 | 130.6 | 171.6 | -68.9 | 169.7 | 0 | 0 | 0 | 108 | K72 Y76 | K72-L74 PolarHBondContact O-N 3.21Å; K72-L74 VanDerWaalsContact O-N 3.1Å; L74-Y76 PolarHBondContact O-N 3.46Å | ||
| 75 | P | 52.5 | Low | 54.4 | Low | 126 Ų | 126 | 129.9 Ų | 129.9 | 82% | 0.818 | 66% | 0.657 | S | S | * | * | trans | -55.3 | 109.8 | 175.2 | -21 | 30.6 | 0 | 0 | 0 | 108.8 | D77 | P75-D77 PolarHBondContact O-N 2.99Š| ||
| 76 | Y | 45.1 | Very low | 54.7 | Low | 182 Ų | 182 | 128.6 Ų | 128.6 | 71% | 0.714 | 65% | 0.648 | S | S | * | * | trans | -81.7 | 91.1 | 172.4 | -173.8 | -85.4 | 0 | 0 | 0 | 106.7 | L74 F81 | L74-Y76 PolarHBondContact O-N 3.46Å; Y76-F81 HydrophobicContact CD2-CE1 4.47Å; Y76-F81 AromaticContact CD2-CE2 3.77Å; Y76-F81 HydrophobicContact CD2-CE2 3.77Å; Y76-F81 AromaticContact CD2-CZ 3.34Å; Y76-F81 HydrophobicContact CD2-CZ 3.34Å; Y76-F81 AromaticContact CE2-CE2 3.37Å; Y76-F81 HydrophobicContact CE2-CE2 3.37Å; Y76-F81 AromaticContact CE2-CZ 3.25Å; Y76-F81 HydrophobicContact CE2-CZ 3.25Å; Y76-F81 HydrophobicContact CG-CZ 4.4Å; Y76-F81 AromaticContact CZ-CE2 3.93Å | ||
| 77 | D | 50.9 | Low | 54.9 | Low | 138 Ų | 138 | 132.8 Ų | 132.8 | 74% | 0.738 | 67% | 0.669 | S | S | * | * | trans | -101.2 | 120.4 | 164.4 | -155.4 | 6.3 | 0 | 0 | 0 | 108.2 | P75 D79 | P75-D77 PolarHBondContact O-N 2.99Å; D77-D79 PolarHBondContact O-N 3.15Å | ||
| 78 | G | 53.9 | Low | 55.6 | Low | 40 Ų | 40 | 135.5 Ų | 135.5 | 41% | 0.412 | 68% | 0.678 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.1 | -3.7 | -154.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 79 | D | 54 | Low | 56.5 | Low | 165 Ų | 165 | 135.2 Ų | 135.2 | 88% | 0.882 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.6 | 4.3 | -168.8 | -77.4 | -34.1 | 0 | 0 | 0 | 115.9 | D77 | D77-D79 PolarHBondContact O-N 3.15Š|
| 80 | N | 51.8 | Low | 57.6 | Low | 116 Ų | 116 | 135.6 Ų | 135.6 | 62% | 0.62 | 67% | 0.669 | S | S | * | * | trans | -149.8 | 74.3 | 172.1 | -160.8 | 59.4 | 0 | 0 | 0 | 112 | Q82 | N80-Q82 PolarHBondContact ND2-NE2 3.46Å; N80-Q82 VanDerWaalsContact ND2-NE2 3.19Å; N80-Q82 PolarHBondContact O-N 2.98Å | ||
| 81 | F | 45.7 | Very low | 58.7 | Low | 145 Ų | 145 | 130.7 Ų | 130.7 | 64% | 0.636 | 65% | 0.653 | S | S | * | * | trans | -68.8 | 80.1 | 167.9 | -93.2 | -87.3 | 0 | 0 | 0 | 110.6 | Y76 L83 | Y76-F81 HydrophobicContact CD2-CE1 4.47Å; Y76-F81 AromaticContact CD2-CE2 3.77Å; Y76-F81 HydrophobicContact CD2-CE2 3.77Å; Y76-F81 AromaticContact CD2-CZ 3.34Å; Y76-F81 HydrophobicContact CD2-CZ 3.34Å; Y76-F81 AromaticContact CE2-CE2 3.37Å; Y76-F81 HydrophobicContact CE2-CE2 3.37Å; Y76-F81 AromaticContact CE2-CZ 3.25Å; Y76-F81 HydrophobicContact CE2-CZ 3.25Å; Y76-F81 HydrophobicContact CG-CZ 4.4Å; Y76-F81 AromaticContact CZ-CE2 3.93Å; F81-L83 VanDerWaalsContact C-N 3.34Å; F81-L83 PolarHBondContact O-N 3.11Å | ||
| 82 | Q | 53.1 | Low | 60.1 | Low | 151 Ų | 151 | 127.2 Ų | 127.2 | 71% | 0.706 | 64% | 0.635 | S | S | * | * | trans | -77.7 | 94 | 158.5 | -77.9 | 176.5 | 12.2 | 0 | 0 | 106.9 | N80 E84 | N80-Q82 PolarHBondContact ND2-NE2 3.46Å; N80-Q82 VanDerWaalsContact ND2-NE2 3.19Å; N80-Q82 PolarHBondContact O-N 2.98Å; Q82-E84 PolarHBondContact O-N 3.4Å | ||
| 83 | L | 56.1 | Low | 61 | Low | 115 Ų | 115 | 122.8 Ų | 122.8 | 60% | 0.602 | 63% | 0.625 | S | S | * | * | trans | -65.2 | 88.9 | 161.7 | -169.5 | 72.4 | 0 | 0 | 0 | 106.2 | F81 Y85 | F81-L83 VanDerWaalsContact C-N 3.34Å; F81-L83 PolarHBondContact O-N 3.11Å; L83-Y85 VanDerWaalsContact C-N 3.35Å; L83-Y85 HydrophobicContact CD2-CE1 3.94Å; L83-Y85 HydrophobicContact CD2-CE2 4.1Å; L83-Y85 WeakPolarHBondContact O-CD2 3.39Å; L83-Y85 PolarHBondContact O-N 3.23Å | ||
| 84 | E | 59.4 | Low | 62.1 | Low | 168 Ų | 168 | 124.6 Ų | 124.6 | 79% | 0.785 | 63% | 0.626 | S | S | * | * | trans | -67.3 | 103.3 | 167.9 | -163 | 166.5 | -146.4 | 0 | 0 | 105.4 | Q82 M86 | Q82-E84 PolarHBondContact O-N 3.4Å; E84-M86 VanDerWaalsContact C-N 3.26Å; E84-M86 PolarHBondContact O-N 3Å | ||
| 85 | Y | 58.9 | Low | 63 | Low | 196 Ų | 196 | 121.9 Ų | 121.9 | 77% | 0.769 | 61% | 0.612 | S | S | * | * | trans | -63.6 | 96.3 | 173.2 | -73.8 | -89.2 | 0 | 0 | 0 | 106.4 | L83 D87 | L83-Y85 VanDerWaalsContact C-N 3.35Å; L83-Y85 HydrophobicContact CD2-CE1 3.94Å; L83-Y85 HydrophobicContact CD2-CE2 4.1Å; L83-Y85 WeakPolarHBondContact O-CD2 3.39Å; L83-Y85 PolarHBondContact O-N 3.23Å; Y85-D87 PolarHBondContact O-N 2.94Å | ||
| 86 | M | 63.5 | Low | 63.7 | Low | 97 Ų | 97 | 119 Ų | 119 | 48% | 0.478 | 61% | 0.605 | S | S | . | * | trans | -61 | 120.9 | 165.9 | -101.7 | -77 | 84.4 | 0 | 0 | 107.6 | E84 L88 E90 | E84-M86 VanDerWaalsContact C-N 3.26Å; E84-M86 PolarHBondContact O-N 3Å; M86-L88 PolarHBondContact O-N 3.25Å; M86-E90 HydrophobicContact CE-CB 4.39Å; M86-E90 HydrophobicContact CE-CG 4.14Å; M86-E90 WeakPolarHBondContact CE-OE2 3.47Å; M86-E90 HydrophobicContact SD-CG 4.3Å | ||
| 87 | D | 66.5 | Low | 64.9 | Low | 95 Ų | 95 | 114.3 Ų | 114.3 | 51% | 0.508 | 59% | 0.591 | S | S | . | * | trans | -59.5 | 129.5 | 175.4 | -165.7 | -18.3 | 0 | 0 | 0 | 107.9 | Y85 E89 E90 F91 | Y85-D87 PolarHBondContact O-N 2.94Å; D87-E89 PolarHBondContact O-N 3.49Å; D87-E89 PolarHBondContact OD1-N 3.32Å; D87-E89 VanDerWaalsContact OD1-N 3.09Å; D87-E90 HydrophobicContact CB-CB 4.08Å; D87-E90 PolarHBondContact O-N 2.91Å; D87-E90 VanDerWaalsContact O-N 3.08Å; D87-F91 PolarHBondContact O-N 3.4Å | ||
| 88 | L | 73.3 | Confident | 65.4 | Low | 135 Ų | 135 | 113.4 Ų | 113.4 | 71% | 0.707 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -58.6 | -31.9 | 177.9 | -76.4 | 159.1 | 0 | 0 | 0 | 109.9 | M86 L92 | M86-L88 PolarHBondContact O-N 3.25Å; L88-L92 WeakPolarHBondContact O-CB 3.41Å; L88-L92 WeakPolarHBondContact O-CD1 3.46Å; L88-L92 WeakPolarHBondContact O-CG 3.42Å; L88-L92 PolarHBondContact O-N 2.86Å |
| 89 | E | 72.5 | Confident | 65.7 | Low | 97 Ų | 97 | 113.4 Ų | 113.4 | 45% | 0.453 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -68.9 | -38.3 | 176.9 | -165 | 141.7 | -127.4 | 0 | 0 | 112.2 | D87 L92 S93 A99 T101 | D87-E89 PolarHBondContact O-N 3.49Å; D87-E89 PolarHBondContact OD1-N 3.32Å; D87-E89 VanDerWaalsContact OD1-N 3.09Å; E89-L92 PolarHBondContact O-N 2.85Å; E89-S93 WeakPolarHBondContact O-CB 3.35Å; E89-S93 PolarHBondContact O-N 2.9Å; E89-S93 PolarHBondContact O-OG 3.18Å; E89-A99 HydrophobicContact CG-CB 4.36Å; E89-T101 PolarHBondContact OE1-OG1 2.61Å |
| 90 | E | 76.2 | Confident | 65.7 | Low | 107 Ų | 107 | 112.9 Ų | 112.9 | 50% | 0.5 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66 | -47.3 | 176.2 | -172.8 | 169.8 | 179.9 | 0 | 0 | 111.3 | M86 D87 L92 S93 E94 | M86-E90 HydrophobicContact CE-CB 4.39Å; M86-E90 HydrophobicContact CE-CG 4.14Å; M86-E90 WeakPolarHBondContact CE-OE2 3.47Å; M86-E90 HydrophobicContact SD-CG 4.3Å; D87-E90 HydrophobicContact CB-CB 4.08Å; D87-E90 PolarHBondContact O-N 2.91Å; D87-E90 VanDerWaalsContact O-N 3.08Å; E90-L92 VanDerWaalsContact C-N 3.34Å; E90-L92 PolarHBondContact O-N 3.34Å; E90-S93 PolarHBondContact O-N 2.84Å; E90-S93 PolarHBondContact O-OG 3.01Å; E90-E94 PolarHBondContact O-N 2.87Å |
| 91 | F | 79.4 | Confident | 65.6 | Low | 104 Ų | 104 | 112.2 Ų | 112.2 | 46% | 0.456 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -60.8 | -41.2 | 176.2 | 177.3 | -96.3 | 0 | 0 | 0 | 112.7 | D87 N95 | D87-F91 PolarHBondContact O-N 3.4Å; F91-N95 PolarHBondContact O-N 2.92Å; F91-N95 PolarHBondContact O-ND2 3.21Å |
| 92 | L | 82.3 | Confident | 65.5 | Low | 51 Ų | 51 | 109 Ų | 109 | 27% | 0.267 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -66.9 | -39.2 | 178.3 | -70.4 | 170.5 | 0 | 0 | 0 | 111.1 | L88 E89 E90 N95 G96 I97 A99 | L88-L92 WeakPolarHBondContact O-CB 3.41Å; L88-L92 WeakPolarHBondContact O-CD1 3.46Å; L88-L92 WeakPolarHBondContact O-CG 3.42Å; L88-L92 PolarHBondContact O-N 2.86Å; E89-L92 PolarHBondContact O-N 2.85Å; E90-L92 VanDerWaalsContact C-N 3.34Å; E90-L92 PolarHBondContact O-N 3.34Å; L92-N95 PolarHBondContact O-N 2.92Å; L92-G96 PolarHBondContact O-N 3.02Å; L92-I97 HydrophobicContact CB-CB 4.35Å; L92-I97 HydrophobicContact CD2-CB 3.9Å; L92-I97 HydrophobicContact CD2-CD1 3.92Å; L92-I97 HydrophobicContact CD2-CG1 4.49Å; L92-I97 HydrophobicContact CD2-CG2 3.84Å; L92-I97 PolarHBondContact O-N 3.06Å; L92-A99 HydrophobicContact CD1-CB 4.32Å |
| 93 | S | 75.8 | Confident | 64.9 | Low | 81 Ų | 81 | 110.8 Ų | 110.8 | 57% | 0.566 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -66.2 | -41.4 | 178.2 | 76.5 | 0 | 0 | 0 | 0 | 113.1 | E89 E90 N95 G96 | E89-S93 WeakPolarHBondContact O-CB 3.35Å; E89-S93 PolarHBondContact O-N 2.9Å; E89-S93 PolarHBondContact O-OG 3.18Å; E90-S93 PolarHBondContact O-N 2.84Å; E90-S93 PolarHBondContact O-OG 3.01Å; S93-N95 VanDerWaalsContact C-N 3.25Å; S93-N95 PolarHBondContact O-N 3.19Å; S93-G96 PolarHBondContact O-N 3.41Å; S93-G96 VanDerWaalsContact O-N 3.13Å |
| 94 | E | 77.1 | Confident | 63.8 | Low | 158 Ų | 158 | 110.9 Ų | 110.9 | 74% | 0.738 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.6 | -32.1 | 179 | -169.4 | -178.8 | -178.7 | 0 | 0 | 111.9 | E90 G96 | E90-E94 PolarHBondContact O-N 2.87Å; E94-G96 VanDerWaalsContact C-N 3.34Å |
| 95 | N | 75.1 | Confident | 62.7 | Low | 92 Ų | 92 | 112 Ų | 112 | 49% | 0.492 | 61% | 0.611 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.6 | 7 | 178.9 | -68.7 | -83.2 | 0 | 0 | 0 | 113.4 | F91 L92 S93 I97 | F91-N95 PolarHBondContact O-N 2.92Å; F91-N95 PolarHBondContact O-ND2 3.21Å; L92-N95 PolarHBondContact O-N 2.92Å; S93-N95 VanDerWaalsContact C-N 3.25Å; S93-N95 PolarHBondContact O-N 3.19Å; N95-I97 HydrophobicContact CB-CD1 4.12Å; N95-I97 HydrophobicContact CB-CG1 4.12Å; N95-I97 PolarHBondContact O-N 2.82Å |
| 96 | G | 67.1 | Low | 61.6 | Low | 65 Ų | 65 | 112 Ų | 112 | 67% | 0.67 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.6 | 23.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L92 S93 E94 | L92-G96 PolarHBondContact O-N 3.02Å; S93-G96 PolarHBondContact O-N 3.41Å; S93-G96 VanDerWaalsContact O-N 3.13Å; E94-G96 VanDerWaalsContact C-N 3.34Å |
| 97 | I | 69.7 | Low | 60.1 | Low | 84 Ų | 84 | 111.8 Ų | 111.8 | 43% | 0.431 | 63% | 0.632 | S | S | . | * | trans | -88.5 | 117.3 | 177.7 | -55 | 174.3 | 0 | 0 | 0 | 107.2 | L92 N95 A99 | L92-I97 HydrophobicContact CB-CB 4.35Å; L92-I97 HydrophobicContact CD2-CB 3.9Å; L92-I97 HydrophobicContact CD2-CD1 3.92Å; L92-I97 HydrophobicContact CD2-CG1 4.49Å; L92-I97 HydrophobicContact CD2-CG2 3.84Å; L92-I97 PolarHBondContact O-N 3.06Å; N95-I97 HydrophobicContact CB-CD1 4.12Å; N95-I97 HydrophobicContact CB-CG1 4.12Å; N95-I97 PolarHBondContact O-N 2.82Å; I97-A99 PolarHBondContact O-N 3.48Å | ||
| 98 | P | 61.9 | Low | 59.5 | Low | 119 Ų | 119 | 112.6 Ų | 112.6 | 77% | 0.773 | 64% | 0.642 | S | S | * | * | trans | -64.8 | 109.2 | -179.5 | 24.3 | -31.3 | 0 | 0 | 0 | 109.9 | N100 | P98-N100 PolarHBondContact O-N 2.8Å; P98-N100 VanDerWaalsContact O-N 3.15Å | ||
| 99 | A | 59.9 | Low | 57.7 | Low | 41 Ų | 41 | 115.1 Ų | 115.1 | 34% | 0.339 | 65% | 0.65 | S | S | . | * | trans | -67.5 | 107.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | E89 L92 I97 T101 | E89-A99 HydrophobicContact CG-CB 4.36Å; L92-A99 HydrophobicContact CD1-CB 4.32Å; I97-A99 PolarHBondContact O-N 3.48Å; A99-T101 VanDerWaalsContact C-N 3.3Å; A99-T101 PolarHBondContact O-N 3.03Å | ||
| 100 | N | 54 | Low | 55.9 | Low | 153 Ų | 153 | 115 Ų | 115 | 82% | 0.818 | 67% | 0.666 | S | S | * | * | trans | -82.8 | 81 | 177.5 | -165.7 | 24.8 | 0 | 0 | 0 | 109.3 | P98 | P98-N100 PolarHBondContact O-N 2.8Å; P98-N100 VanDerWaalsContact O-N 3.15Å | ||
| 101 | T | 50.8 | Low | 53.9 | Low | 103 Ų | 103 | 114.3 Ų | 114.3 | 63% | 0.632 | 68% | 0.679 | S | S | * | * | trans | -104.2 | 60.3 | 175.3 | -33.3 | 0 | 0 | 0 | 0 | 109.6 | E89 A99 | E89-T101 PolarHBondContact OE1-OG1 2.61Å; A99-T101 VanDerWaalsContact C-N 3.3Å; A99-T101 PolarHBondContact O-N 3.03Å | ||
| 102 | A | 42.4 | Very low | 51.9 | Low | 78 Ų | 78 | 117.9 Ų | 117.9 | 65% | 0.645 | 70% | 0.697 | S | S | * | * | trans | -90.8 | 115.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 103 | Q | 40.8 | Very low | 50.3 | Low | 188 Ų | 188 | 120.3 Ų | 120.3 | 88% | 0.879 | 72% | 0.715 | S | S | * | * | S | Bend | trans | 96.7 | 75.3 | 173 | -55.1 | -178 | -13.4 | 0 | 0 | 117.4 | ||
| 104 | S | 33.7 | Very low | 48.2 | Very low | 117 Ų | 117 | 122.5 Ų | 122.5 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | -174.4 | 99.3 | 115.1 | -85.1 | 0 | 0 | 0 | 0 | 110.2 | Q106 | S104-Q106 PolarHBondContact O-N 3.1Š| |||
| 105 | E | 37.1 | Very low | 46.3 | Very low | 192 Ų | 192 | 124.3 Ų | 124.3 | 90% | 0.897 | 74% | 0.739 | S | S | * | * | trans | -69.9 | 119.1 | 156.2 | -66.9 | -171.1 | 142.5 | 0 | 0 | 108.7 | ||||
| 106 | Q | 34.3 | Very low | 44.3 | Very low | 194 Ų | 194 | 125 Ų | 125 | 91% | 0.907 | 76% | 0.758 | S | S | * | * | 173.2 | 111.1 | 128.5 | -98.4 | 173.5 | -9.3 | 0 | 0 | 111 | S104 | S104-Q106 PolarHBondContact O-N 3.1Š| |||
| 107 | A | 33 | Very low | 42.7 | Very low | 93 Ų | 93 | 126.1 Ų | 126.1 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | trans | -107.4 | 174.6 | 150.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 108 | P | 54.3 | Low | 40.9 | Very low | 113 Ų | 113 | 129.7 Ų | 129.7 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | cis | -141.1 | 173.2 | 5.1 | 39.5 | -20.3 | 0 | 0 | 0 | 115.6 | ||||
| 109 | Q | 34.6 | Very low | 39.6 | Very low | 187 Ų | 187 | 132.8 Ų | 132.8 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | 165.4 | 112.3 | 139.7 | -91.8 | 167.8 | 15.5 | 0 | 0 | 109.6 | ||||
| 110 | A | 34.3 | Very low | 38.5 | Very low | 95 Ų | 95 | 140.2 Ų | 140.2 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | 80.9 | 98.7 | 76.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 111 | A | 35.4 | Very low | 37.7 | Very low | 92 Ų | 92 | 139 Ų | 139 | 76% | 0.76 | 81% | 0.81 | S | S | * | * | trans | 56.3 | 122.4 | 133.6 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 112 | Q | 36.8 | Very low | 37.7 | Very low | 180 Ų | 180 | 139.7 Ų | 139.7 | 84% | 0.841 | 82% | 0.816 | S | S | * | * | trans | 90 | 156.8 | 134.5 | -68.7 | -67.5 | -23.4 | 0 | 0 | 119.8 | ||||
| 113 | P | 48.3 | Very low | 38 | Very low | 101 Ų | 101 | 141.5 Ų | 141.5 | 66% | 0.656 | 82% | 0.821 | S | S | * | * | trans | -116.5 | 166.2 | -130 | 41.1 | -27.5 | 0 | 0 | 0 | 113.4 | ||||
| 114 | S | 31.7 | Very low | 38.2 | Very low | 127 Ų | 127 | 138.6 Ų | 138.6 | 89% | 0.888 | 82% | 0.818 | S | S | * | * | trans | -155.1 | 129.7 | 163.6 | -71.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 115 | Q | 38.5 | Very low | 39.1 | Very low | 196 Ų | 196 | 142.5 Ų | 142.5 | 92% | 0.916 | 82% | 0.821 | S | S | * | * | trans | -74.2 | 140 | 167.2 | -60.8 | 176.1 | -6.3 | 0 | 0 | 109.9 | ||||
| 116 | A | 32.2 | Very low | 39.8 | Very low | 107 Ų | 107 | 139 Ų | 139 | 88% | 0.884 | 82% | 0.815 | S | S | * | * | trans | -175.8 | 143.8 | 138.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 117 | A | 33.3 | Very low | 40.4 | Very low | 88 Ų | 88 | 136 Ų | 136 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | trans | -81.5 | 163.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 118 | L | 32.4 | Very low | 40.9 | Very low | 159 Ų | 159 | 137.6 Ų | 137.6 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | trans | 120 | 133.1 | 143.8 | -63.6 | 172.3 | 0 | 0 | 0 | 117.1 | ||||
| 119 | Q | 33.4 | Very low | 40.3 | Very low | 184 Ų | 184 | 138.3 Ų | 138.3 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | trans | 87.3 | 107.1 | 157.6 | -74.4 | 167.9 | 13.1 | 0 | 0 | 119.6 | ||||
| 120 | Q | 37.9 | Very low | 40.4 | Very low | 197 Ų | 197 | 134.8 Ų | 134.8 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | trans | -70.2 | 123.4 | 164.6 | -69.7 | 170.6 | -20.3 | 0 | 0 | 110.7 | ||||
| 121 | V | 36.4 | Very low | 40.7 | Very low | 129 Ų | 129 | 136.6 Ų | 136.6 | 78% | 0.782 | 81% | 0.814 | S | S | * | * | trans | -144.7 | 133.1 | 154.3 | -178.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 122 | P | 50.9 | Low | 41.2 | Very low | 116 Ų | 116 | 138.6 Ų | 138.6 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 147.1 | -177.7 | 30.6 | -33.1 | 0 | 0 | 0 | 112.6 | ||
| 123 | P | 49.5 | Very low | 41.3 | Very low | 117 Ų | 117 | 136.8 Ų | 136.8 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 153.8 | 176 | 32.1 | -33.4 | 0 | 0 | 0 | 113 | ||
| 124 | P | 45.3 | Very low | 40.8 | Very low | 127 Ų | 127 | 140.2 Ų | 140.2 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 154.2 | 177.6 | 33.2 | -33.1 | 0 | 0 | 0 | 112.4 | ||
| 125 | K | 51.8 | Low | 41.1 | Very low | 199 Ų | 199 | 139.2 Ų | 139.2 | 87% | 0.865 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 148.1 | -179.8 | -57.4 | 174.4 | -175 | 176.9 | 0 | 111.2 | ||
| 126 | P | 52.4 | Low | 41.1 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 154.8 | 173.7 | 29.8 | -33.2 | 0 | 0 | 0 | 112.7 | ||
| 127 | P | 47 | Very low | 41.5 | Very low | 129 Ų | 129 | 141.4 Ų | 141.4 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 141.1 | -172.8 | 32.1 | -34.1 | 0 | 0 | 0 | 113.3 | ||
| 128 | T | 41.8 | Very low | 41.4 | Very low | 128 Ų | 128 | 142.1 Ų | 142.1 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 147.7 | 166.8 | 50 | 0 | 0 | 0 | 0 | 110.8 | ||
| 129 | P | 43.3 | Very low | 41.8 | Very low | 127 Ų | 127 | 140.3 Ų | 140.3 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 136.7 | 178.5 | 28.2 | -33 | 0 | 0 | 0 | 112.4 | ||
| 130 | S | 36.8 | Very low | 42 | Very low | 114 Ų | 114 | 138.1 Ų | 138.1 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 126.7 | -178.6 | -172.4 | 0 | 0 | 0 | 0 | 111.7 | ||
| 131 | V | 40.5 | Very low | 41.9 | Very low | 133 Ų | 133 | 134.2 Ų | 134.2 | 81% | 0.806 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -98.5 | 124.6 | 164.4 | -150.6 | 0 | 0 | 0 | 0 | 106.3 | D133 | V131-D133 PolarHBondContact O-N 3.36Š|
| 132 | V | 45.1 | Very low | 42.2 | Very low | 134 Ų | 134 | 134 Ų | 134 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | trans | -67.6 | 112.7 | 176.5 | -72.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 133 | D | 37.9 | Very low | 41.4 | Very low | 141 Ų | 141 | 136.9 Ų | 136.9 | 75% | 0.754 | 81% | 0.809 | S | S | * | * | trans | -99.9 | 113.3 | 166.5 | -173.7 | 13.9 | 0 | 0 | 0 | 108 | V131 S135 | V131-D133 PolarHBondContact O-N 3.36Å; D133-S135 PolarHBondContact O-N 3Å | ||
| 134 | L | 39.6 | Very low | 40.6 | Very low | 173 Ų | 173 | 137.2 Ų | 137.2 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | trans | -95.9 | 79.3 | 177.6 | -137.2 | 79.4 | 0 | 0 | 0 | 108 | ||||
| 135 | S | 37.8 | Very low | 40.2 | Very low | 106 Ų | 106 | 135.3 Ų | 135.3 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | trans | -130.1 | 96.5 | 173.6 | -137.3 | 0 | 0 | 0 | 0 | 111.1 | D133 | D133-S135 PolarHBondContact O-N 3Š| ||
| 136 | S | 38.3 | Very low | 39.7 | Very low | 116 Ų | 116 | 134.2 Ų | 134.2 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | trans | -147.8 | 126.5 | 160.6 | 56.6 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 137 | R | 39.2 | Very low | 39.6 | Very low | 233 Ų | 233 | 134 Ų | 134 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | cis | -178.9 | 134.6 | 35.7 | 163.3 | -174.1 | -178.7 | 164.4 | 0.6 | 106.5 | ||||
| 138 | A | 32.7 | Very low | 39.9 | Very low | 103 Ų | 103 | 133.2 Ų | 133.2 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | trans | -171.1 | 96.8 | 143.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 139 | T | 40.9 | Very low | 39.9 | Very low | 122 Ų | 122 | 135.3 Ų | 135.3 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | trans | -75.7 | 136.4 | 164.3 | 42.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 140 | T | 37.2 | Very low | 40 | Very low | 137 Ų | 137 | 135 Ų | 135 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | trans | 172.8 | 105.9 | 130.9 | 46.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 141 | S | 36.4 | Very low | 40 | Very low | 115 Ų | 115 | 135.4 Ų | 135.4 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | 51.8 | 108.7 | 91.7 | -159.3 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 142 | V | 41.4 | Very low | 39.9 | Very low | 125 Ų | 125 | 136.5 Ų | 136.5 | 76% | 0.758 | 80% | 0.797 | S | S | * | * | trans | -43.3 | 138.7 | 170 | -90.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 143 | H | 34 | Very low | 40 | Very low | 177 Ų | 177 | 139.2 Ų | 139.2 | 82% | 0.819 | 80% | 0.8 | S | S | * | * | trans | -172.9 | 123.3 | 131.1 | -92.8 | -63.7 | 0 | 0 | 0 | 112.8 | ||||
| 144 | T | 34.4 | Very low | 39.9 | Very low | 124 Ų | 124 | 138 Ų | 138 | 76% | 0.761 | 80% | 0.803 | S | S | * | * | trans | 70.6 | 109.9 | 135.2 | -40.1 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 145 | A | 35.8 | Very low | 40.6 | Very low | 86 Ų | 86 | 135.5 Ų | 135.5 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | trans | 60.9 | 114.4 | 137.1 | 0 | 0 | 0 | 0 | 0 | 125 | ||||
| 146 | M | 41.7 | Very low | 41.6 | Very low | 176 Ų | 176 | 137.1 Ų | 137.1 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | trans | 57.3 | 158.2 | 138.4 | -66.6 | -66 | 140.6 | 0 | 0 | 121.5 | ||||
| 147 | P | 49.9 | Very low | 41.8 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 74% | 0.74 | 80% | 0.802 | S | S | * | * | cis | -126.1 | -178.1 | 1.1 | 40.3 | -22.3 | 0 | 0 | 0 | 113.9 | ||||
| 148 | P | 52.4 | Low | 42 | Very low | 114 Ų | 114 | 130.1 Ų | 130.1 | 74% | 0.74 | 80% | 0.801 | S | S | * | * | trans | -88.8 | 146 | -170.1 | 34.8 | -28.8 | 0 | 0 | 0 | 112.5 | ||||
| 149 | Q | 42 | Very low | 42.4 | Very low | 171 Ų | 171 | 129.3 Ų | 129.3 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | trans | -119.5 | 121.1 | 165 | -74.5 | -72.7 | 4.6 | 0 | 0 | 109.4 | C151 | Q149-C151 PolarHBondContact O-N 2.6Š| ||
| 150 | T | 45.7 | Very low | 42.8 | Very low | 121 Ų | 121 | 135 Ų | 135 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | trans | -66.8 | 114.1 | 176.4 | 49.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 151 | C | 38 | Very low | 43.2 | Very low | 123 Ų | 123 | 134.4 Ų | 134.4 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | trans | -104.4 | 104.3 | 166.9 | -54.6 | 0 | 0 | 0 | 0 | 108.2 | Q149 | Q149-C151 PolarHBondContact O-N 2.6Š| ||
| 152 | L | 38.4 | Very low | 43.8 | Very low | 155 Ų | 155 | 132.9 Ų | 132.9 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 134.6 | 179.2 | -68.4 | 157.5 | 0 | 0 | 0 | 111.5 | S154 | L152-S154 PolarHBondContact O-N 3.46Š|
| 153 | H | 46.2 | Very low | 44.2 | Very low | 192 Ų | 192 | 131 Ų | 131 | 89% | 0.889 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 125.7 | 160.6 | -61.4 | 90.9 | 0 | 0 | 0 | 109.9 | ||
| 154 | S | 37.1 | Very low | 45 | Very low | 115 Ų | 115 | 133.1 Ų | 133.1 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 133.1 | 163.3 | -71.4 | 0 | 0 | 0 | 0 | 109.4 | L152 | L152-S154 PolarHBondContact O-N 3.46Š|
| 155 | P | 54.3 | Low | 46.3 | Very low | 120 Ų | 120 | 134.4 Ų | 134.4 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -85 | 158.5 | -174.8 | 34.4 | -33 | 0 | 0 | 0 | 112.4 | ||
| 156 | T | 57.7 | Low | 47.5 | Very low | 140 Ų | 140 | 135.2 Ų | 135.2 | 86% | 0.859 | 80% | 0.795 | S | S | * | * | trans | -30.8 | 130.3 | 168.6 | 43.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 157 | A | 42.4 | Very low | 49.1 | Very low | 98 Ų | 98 | 132.1 Ų | 132.1 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | trans | -153.8 | 107.5 | 145.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 158 | A | 42.9 | Very low | 50.4 | Low | 104 Ų | 104 | 131.5 Ų | 131.5 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | 70.4 | 140.2 | 138.2 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 159 | A | 41.8 | Very low | 51.8 | Low | 87 Ų | 87 | 132.5 Ų | 132.5 | 72% | 0.719 | 79% | 0.793 | S | S | * | * | trans | 101.8 | 95.1 | 147.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 160 | R | 49.3 | Very low | 53.9 | Low | 240 Ų | 240 | 130.3 Ų | 130.3 | 91% | 0.906 | 79% | 0.785 | S | S | * | * | trans | 59.1 | 76.2 | 132.5 | -54.4 | 175.3 | 80.2 | 173.2 | 4.9 | 115.4 | A162 | R160-A162 PolarHBondContact O-N 3.08Å; R160-A162 VanDerWaalsContact O-N 3.1Å | ||
| 161 | S | 46.3 | Very low | 55.8 | Low | 125 Ų | 125 | 129 Ų | 129 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | trans | -76.2 | 88.8 | 146.3 | 39.3 | 0 | 0 | 0 | 0 | 108.1 | A163 | S161-A163 PolarHBondContact O-N 2.87Š| ||
| 162 | A | 47.8 | Very low | 57.9 | Low | 84 Ų | 84 | 127.7 Ų | 127.7 | 69% | 0.694 | 76% | 0.764 | S | S | * | * | trans | -47.3 | 134.5 | 157 | 0 | 0 | 0 | 0 | 0 | 108.8 | R160 R164 | R160-A162 PolarHBondContact O-N 3.08Å; R160-A162 VanDerWaalsContact O-N 3.1Å; A162-R164 PolarHBondContact O-N 3.43Å | ||
| 163 | A | 50.3 | Low | 60 | Low | 84 Ų | 84 | 126.8 Ų | 126.8 | 69% | 0.694 | 76% | 0.756 | S | S | * | * | trans | -6.4 | 88 | 162.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | S161 | S161-A163 PolarHBondContact O-N 2.87Š| ||
| 164 | R | 50 | Low | 61.7 | Low | 223 Ų | 223 | 120.7 Ų | 120.7 | 84% | 0.842 | 74% | 0.735 | S | S | * | * | trans | -92.7 | 93.3 | 156 | -97.5 | -172 | 161.9 | 171.7 | -4.5 | 105.3 | A162 T166 | A162-R164 PolarHBondContact O-N 3.43Å; R164-T166 PolarHBondContact O-N 2.92Å | ||
| 165 | D | 62.8 | Low | 64 | Low | 151 Ų | 151 | 119.8 Ų | 119.8 | 81% | 0.807 | 72% | 0.72 | S | S | * | * | trans | -68.3 | 22.6 | 175 | -73.1 | -41.7 | 0 | 0 | 0 | 113.2 | P167 | D165-P167 WeakPolarHBondContact O-CD 3.43Š| ||
| 166 | T | 60.5 | Low | 65.3 | Low | 103 Ų | 103 | 122.1 Ų | 122.1 | 63% | 0.632 | 72% | 0.72 | S | S | * | * | trans | -90.2 | 105.6 | 173.1 | 51.7 | 0 | 0 | 0 | 0 | 107.8 | R164 S168 | R164-T166 PolarHBondContact O-N 2.92Å; T166-S168 PolarHBondContact O-N 3.24Å | ||
| 167 | P | 75.4 | Confident | 66.5 | Low | 111 Ų | 111 | 116.7 Ų | 116.7 | 72% | 0.721 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -59 | 140.6 | 175.2 | 24.9 | -32.8 | 0 | 0 | 0 | 109.4 | D165 | D165-P167 WeakPolarHBondContact O-CD 3.43Š|
| 168 | S | 77.3 | Confident | 68.4 | Low | 100 Ų | 100 | 118.1 Ų | 118.1 | 70% | 0.699 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 151 | 172.5 | -60.6 | 0 | 0 | 0 | 0 | 110.8 | T166 I170 | T166-S168 PolarHBondContact O-N 3.24Å; S168-I170 PolarHBondContact O-N 3.5Å; S168-I170 VanDerWaalsContact O-N 3.11Å |
| 169 | P | 82.6 | Confident | 70.5 | Confident | 136 Ų | 136 | 113.9 Ų | 113.9 | 88% | 0.883 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 121.6 | 175.1 | -25.1 | 33.9 | 0 | 0 | 0 | 110.8 | ||
| 170 | I | 84.1 | Confident | 72.7 | Confident | 124 Ų | 124 | 116.1 Ų | 116.1 | 64% | 0.636 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 130.7 | 179.2 | -63.2 | 166.7 | 0 | 0 | 0 | 108 | S168 P172 I175 | S168-I170 PolarHBondContact O-N 3.5Å; S168-I170 VanDerWaalsContact O-N 3.11Å; I170-P172 WeakPolarHBondContact O-CD 3.37Å; I170-I175 HydrophobicContact CG2-CD1 4.16Å; I170-I175 HydrophobicContact CG2-CG1 3.93Å |
| 171 | D | 86.9 | Confident | 74.7 | Confident | 93 Ų | 93 | 106.4 Ų | 106.4 | 50% | 0.497 | 62% | 0.62 | S | S | . | * | P | Polyproline II helix | trans | -69.8 | 117 | 170.1 | 174.8 | 14.9 | 0 | 0 | 0 | 109.1 | E173 S174 | D171-E173 PolarHBondContact O-N 3.49Å; D171-E173 PolarHBondContact OD1-N 2.96Å; D171-E173 VanDerWaalsContact OD1-N 3.17Å; D171-S174 WeakPolarHBondContact O-CB 3.39Å; D171-S174 PolarHBondContact O-N 3.4Å; D171-S174 PolarHBondContact O-OG 2.9Å |
| 172 | P | 82.5 | Confident | 76.8 | Confident | 97 Ų | 97 | 108.4 Ų | 108.4 | 63% | 0.63 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -60 | -28.5 | -177.6 | 25 | -35.4 | 0 | 0 | 0 | 113.4 | I170 S174 I175 | I170-P172 WeakPolarHBondContact O-CD 3.37Å; P172-S174 VanDerWaalsContact C-N 3.26Å; P172-S174 PolarHBondContact O-N 2.93Å; P172-I175 PolarHBondContact O-N 3.41Å |
| 173 | E | 81.8 | Confident | 78.9 | Confident | 135 Ų | 135 | 105.6 Ų | 105.6 | 63% | 0.631 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -76.7 | -13.2 | 179 | -69 | -71.3 | 144.3 | 0 | 0 | 113.1 | D171 K205 | D171-E173 PolarHBondContact O-N 3.49Å; D171-E173 PolarHBondContact OD1-N 2.96Å; D171-E173 VanDerWaalsContact OD1-N 3.17Å; E173-K205 IonicContact OE2-NZ 3.35Å; E173-K205 PolarHBondContact OE2-NZ 3.06Å |
| 174 | S | 82.3 | Confident | 81 | Confident | 65 Ų | 65 | 105.8 Ų | 105.8 | 46% | 0.455 | 58% | 0.579 | S | S | . | * | G | 310 helix | trans | -86.6 | -14 | 177 | 74.2 | 0 | 0 | 0 | 0 | 113.4 | D171 P172 Q176 | D171-S174 WeakPolarHBondContact O-CB 3.39Å; D171-S174 PolarHBondContact O-N 3.4Å; D171-S174 PolarHBondContact O-OG 2.9Å; P172-S174 VanDerWaalsContact C-N 3.26Å; P172-S174 PolarHBondContact O-N 2.93Å; S174-Q176 PolarHBondContact O-N 2.91Å; S174-Q176 VanDerWaalsContact O-N 3.14Å |
| 175 | I | 84.3 | Confident | 83.1 | Confident | 96 Ų | 96 | 99.8 Ų | 99.8 | 49% | 0.492 | 57% | 0.57 | S | S | . | * | trans | -69.5 | 111.2 | -178.8 | -58.7 | 174.6 | 0 | 0 | 0 | 108.5 | I170 P172 | I170-I175 HydrophobicContact CG2-CD1 4.16Å; I170-I175 HydrophobicContact CG2-CG1 3.93Å; P172-I175 PolarHBondContact O-N 3.41Å | ||
| 176 | Q | 81.4 | Confident | 84.6 | Confident | 169 Ų | 169 | 95.1 Ų | 95.1 | 79% | 0.79 | 55% | 0.552 | S | S | * | * | trans | -114.2 | 117.3 | 173.8 | -71.3 | 175.4 | 59.8 | 0 | 0 | 108.8 | S174 | S174-Q176 PolarHBondContact O-N 2.91Å; S174-Q176 VanDerWaalsContact O-N 3.14Å | ||
| 177 | V | 84.3 | Confident | 86.2 | Confident | 26 Ų | 26 | 94 Ų | 94 | 16% | 0.158 | 54% | 0.542 | C | S | . | . | trans | -83.5 | 134.1 | 171.2 | -176 | 0 | 0 | 0 | 0 | 108.3 | V179 A272 L273 | V177-V179 HydrophobicContact CB-CG2 4.3Å; V177-V179 HydrophobicContact CG1-CG2 4.35Å; V177-V179 WeakPolarHBondContact O-CG2 3.37Å; V177-V179 PolarHBondContact O-N 3.4Å; V177-A272 HydrophobicContact CG1-CB 3.62Å; V177-L273 HydrophobicContact CG2-CD2 3.3Å; V177-L273 HydrophobicContact CG2-CG 3.65Å | ||
| 178 | P | 82.4 | Confident | 87.1 | Confident | 127 Ų | 127 | 90.5 Ų | 90.5 | 83% | 0.825 | 52% | 0.517 | S | S | * | . | trans | -60.5 | 104.9 | 171.2 | -22.8 | 33.9 | 0 | 0 | 0 | 110.4 | ||||
| 179 | V | 87.3 | Confident | 87.9 | Confident | 16 Ų | 16 | 88.9 Ų | 88.9 | 10% | 0.097 | 51% | 0.509 | C | S | . | . | trans | -119.7 | 123.5 | 178.7 | -179.8 | 0 | 0 | 0 | 0 | 109.2 | V177 Y181 R202 K268 E269 A272 | V177-V179 HydrophobicContact CB-CG2 4.3Å; V177-V179 HydrophobicContact CG1-CG2 4.35Å; V177-V179 WeakPolarHBondContact O-CG2 3.37Å; V177-V179 PolarHBondContact O-N 3.4Å; V179-Y181 VanDerWaalsContact C-N 3.34Å; V179-Y181 PolarHBondContact O-N 2.87Å; V179-Y181 VanDerWaalsContact O-N 3.11Å; V179-R202 PolarHBondContact O-NH2 3.37Å; V179-K268 HydrophobicContact CG1-CB 3.62Å; V179-E269 HydrophobicContact CG2-CB 3.99Å; V179-E269 HydrophobicContact CG2-CG 4.19Å; V179-A272 HydrophobicContact CG2-CB 3.91Å | ||
| 180 | T | 87.6 | Confident | 88.5 | Confident | 134 Ų | 134 | 87.4 Ų | 87.4 | 82% | 0.822 | 49% | 0.493 | S | S | * | . | trans | -82.1 | 82.9 | 168.7 | 45.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 181 | Y | 89.8 | Confident | 89.1 | Confident | 35 Ų | 35 | 81.5 Ų | 81.5 | 14% | 0.137 | 46% | 0.464 | C | S | . | . | trans | -107.4 | 111.7 | 168.9 | -175.3 | -94.1 | 0 | 0 | 0 | 109.7 | V179 P183 P201 I261 G264 F265 K268 | V179-Y181 VanDerWaalsContact C-N 3.34Å; V179-Y181 PolarHBondContact O-N 2.87Å; V179-Y181 VanDerWaalsContact O-N 3.11Å; Y181-P183 HydrophobicContact CE1-CB 3.81Å; Y181-P183 HydrophobicContact CE1-CG 3.96Å; Y181-P201 HydrophobicContact CD1-CG 4.07Å; Y181-P201 HydrophobicContact CE1-CG 3.91Å; Y181-I261 HydrophobicContact CE1-CG2 3.92Å; Y181-I261 PolarHBondContact OH-O 3.5Å; Y181-G264 WeakPolarHBondContact CE2-O 3.48Å; Y181-F265 HydrophobicContact CD1-CB 3.9Å; Y181-F265 HydrophobicContact CD1-CD2 4.05Å; Y181-F265 HydrophobicContact CD1-CG 4.46Å; Y181-F265 HydrophobicContact CD2-CB 4.27Å; Y181-F265 HydrophobicContact CE1-CB 3.98Å; Y181-F265 HydrophobicContact CE2-CB 4.4Å; Y181-F265 HydrophobicContact CG-CB 4.05Å; Y181-F265 AromaticContact CG-CD2 3.91Å; Y181-F265 HydrophobicContact CG-CD2 3.91Å; Y181-K268 HydrophobicContact CD2-CB 4.45Å; Y181-K268 HydrophobicContact CD2-CD 3.61Å; Y181-K268 HydrophobicContact CD2-CG 3.97Å; Y181-K268 HydrophobicContact CE2-CD 4.46Å; Y181-K268 HydrophobicContact CG-CD 4.47Å | ||
| 182 | E | 91.9 | Very high | 89.5 | Confident | 168 Ų | 168 | 77.8 Ų | 77.8 | 79% | 0.785 | 45% | 0.445 | S | S | * | . | trans | -120 | 109.5 | 170.4 | -168.2 | 173.2 | -169.7 | 0 | 0 | 106.9 | ||||
| 183 | P | 91.2 | Very high | 90 | Very high | 24 Ų | 24 | 76 Ų | 76 | 16% | 0.156 | 43% | 0.432 | C | S | . | . | trans | -71.2 | 156.2 | 174.1 | 28.5 | -30.3 | 0 | 0 | 0 | 110.6 | Y181 L188 I261 | Y181-P183 HydrophobicContact CE1-CB 3.81Å; Y181-P183 HydrophobicContact CE1-CG 3.96Å; P183-L188 HydrophobicContact CG-CB 4.47Å; P183-L188 HydrophobicContact CG-CD1 4.37Å; P183-I261 HydrophobicContact CB-CD1 4.28Å; P183-I261 HydrophobicContact CB-CG2 3.94Å; P183-I261 HydrophobicContact CG-CG2 4.2Å | ||
| 184 | D | 93.8 | Very high | 90.4 | Very high | 88 Ų | 88 | 75.7 Ų | 75.7 | 47% | 0.471 | 44% | 0.442 | S | S | . | . | trans | -55.3 | 129.6 | 172 | -177 | -15.2 | 0 | 0 | 0 | 109.7 | A186 D187 L188 | D184-A186 PolarHBondContact O-N 2.85Å; D184-A186 VanDerWaalsContact O-N 3.11Å; D184-A186 PolarHBondContact OD1-N 3.18Å; D184-D187 HydrophobicContact CB-CB 4.27Å; D184-D187 PolarHBondContact O-N 3.47Å; D184-L188 PolarHBondContact O-N 2.95Å | ||
| 185 | P | 94.2 | Very high | 90.7 | Very high | 98 Ų | 98 | 76.8 Ų | 76.8 | 64% | 0.636 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -48.1 | -35 | 173.5 | -30.1 | 35 | 0 | 0 | 0 | 114.4 | A189 | P185-A189 WeakPolarHBondContact O-CB 3.34Å; P185-A189 PolarHBondContact O-N 2.86Å |
| 186 | A | 94 | Very high | 90.9 | Very high | 52 Ų | 52 | 79.2 Ų | 79.2 | 43% | 0.43 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.4 | -46.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | D184 L188 A189 L190 | D184-A186 PolarHBondContact O-N 2.85Å; D184-A186 VanDerWaalsContact O-N 3.11Å; D184-A186 PolarHBondContact OD1-N 3.18Å; A186-L188 VanDerWaalsContact C-N 3.31Å; A186-L188 PolarHBondContact O-N 3Å; A186-A189 PolarHBondContact O-N 3.14Å; A186-L190 WeakPolarHBondContact O-CG 3.48Å; A186-L190 PolarHBondContact O-N 3.21Å |
| 187 | D | 94.7 | Very high | 91.4 | Very high | 80 Ų | 80 | 78.4 Ų | 78.4 | 43% | 0.428 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.3 | -40.4 | 177.4 | -70.3 | -24.3 | 0 | 0 | 0 | 111.1 | D184 A189 L190 S191 I261 | D184-D187 HydrophobicContact CB-CB 4.27Å; D184-D187 PolarHBondContact O-N 3.47Å; D187-A189 PolarHBondContact O-N 3.08Å; D187-L190 PolarHBondContact O-N 2.94Å; D187-S191 VanDerWaalsContact O-CB 3.3Å; D187-S191 WeakPolarHBondContact O-CB 3.41Å; D187-S191 PolarHBondContact O-N 2.9Å; D187-S191 PolarHBondContact O-OG 3.33Å; D187-I261 HydrophobicContact CB-CD1 3.95Å; D187-I261 HydrophobicContact CB-CG1 4.29Å; D187-I261 WeakPolarHBondContact O-CD1 3.46Å |
| 188 | L | 94.8 | Very high | 91.7 | Very high | 37 Ų | 37 | 82.5 Ų | 82.5 | 19% | 0.194 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 177.7 | -174.9 | 60.8 | 0 | 0 | 0 | 111.6 | P183 D184 A186 S191 S192 M198 F199 | P183-L188 HydrophobicContact CG-CB 4.47Å; P183-L188 HydrophobicContact CG-CD1 4.37Å; D184-L188 PolarHBondContact O-N 2.95Å; A186-L188 VanDerWaalsContact C-N 3.31Å; A186-L188 PolarHBondContact O-N 3Å; L188-S191 PolarHBondContact O-N 2.99Å; L188-S192 WeakPolarHBondContact O-CB 3.47Å; L188-S192 PolarHBondContact O-N 3.18Å; L188-S192 VanDerWaalsContact O-N 3.09Å; L188-S192 PolarHBondContact O-OG 2.88Å; L188-M198 HydrophobicContact CD1-CG 3.86Å; L188-M198 HydrophobicContact CD2-CE 4.43Å; L188-M198 HydrophobicContact CD2-CG 3.84Å; L188-M198 HydrophobicContact CD2-SD 4.24Å; L188-M198 HydrophobicContact CG-CG 3.75Å; L188-M198 HydrophobicContact CG-SD 3.95Å; L188-F199 HydrophobicContact CD1-CB 4.39Å; L188-F199 WeakPolarHBondContact CD1-O 3.22Å |
| 189 | A | 94.7 | Very high | 92.3 | Very high | 66 Ų | 66 | 77.4 Ų | 77.4 | 55% | 0.545 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.8 | -41.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | P185 A186 D187 S191 S192 | P185-A189 WeakPolarHBondContact O-CB 3.34Å; P185-A189 PolarHBondContact O-N 2.86Å; A186-A189 PolarHBondContact O-N 3.14Å; D187-A189 PolarHBondContact O-N 3.08Å; A189-S191 VanDerWaalsContact C-N 3.26Å; A189-S191 PolarHBondContact O-N 3.31Å; A189-S192 PolarHBondContact O-N 3.32Å |
| 190 | L | 95.6 | Very high | 92.5 | Very high | 105 Ų | 105 | 78.8 Ų | 78.8 | 55% | 0.55 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -71.8 | -18 | 177.3 | -69 | 175.5 | 0 | 0 | 0 | 113.9 | A186 D187 N257 | A186-L190 WeakPolarHBondContact O-CG 3.48Å; A186-L190 PolarHBondContact O-N 3.21Å; D187-L190 PolarHBondContact O-N 2.94Å; L190-N257 PolarHBondContact O-ND2 3.43Å; L190-N257 VanDerWaalsContact O-ND2 3.17Å |
| 191 | S | 95.5 | Very high | 92.8 | Very high | 1 Ų | 1 | 72.9 Ų | 72.9 | 1% | 0.007 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -95.7 | -11.4 | 177.9 | -59.3 | 0 | 0 | 0 | 0 | 113.2 | D187 L188 A189 L254 N257 Q258 I261 | D187-S191 VanDerWaalsContact O-CB 3.3Å; D187-S191 WeakPolarHBondContact O-CB 3.41Å; D187-S191 PolarHBondContact O-N 2.9Å; D187-S191 PolarHBondContact O-OG 3.33Å; L188-S191 PolarHBondContact O-N 2.99Å; A189-S191 VanDerWaalsContact C-N 3.26Å; A189-S191 PolarHBondContact O-N 3.31Å; S191-L254 WeakPolarHBondContact O-CD1 3.39Å; S191-N257 VanDerWaalsContact OG-CB 3.3Å; S191-N257 WeakPolarHBondContact OG-CB 3.39Å; S191-N257 PolarHBondContact OG-O 3.05Å; S191-Q258 VanDerWaalsContact O-CG 3.29Å; S191-Q258 WeakPolarHBondContact O-CG 3.32Å; S191-Q258 PolarHBondContact O-NE2 3.17Å; S191-I261 WeakPolarHBondContact OG-CD1 3.3Å |
| 192 | S | 95.5 | Very high | 92.8 | Very high | 15 Ų | 15 | 77.6 Ų | 77.6 | 11% | 0.105 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -101.8 | 144.2 | -178.7 | -58.4 | 0 | 0 | 0 | 0 | 110.9 | L188 A189 M198 F199 | L188-S192 WeakPolarHBondContact O-CB 3.47Å; L188-S192 PolarHBondContact O-N 3.18Å; L188-S192 VanDerWaalsContact O-N 3.09Å; L188-S192 PolarHBondContact O-OG 2.88Å; A189-S192 PolarHBondContact O-N 3.32Å; S192-M198 PolarHBondContact OG-SD 3.35Å; S192-M198 VanDerWaalsContact OG-SD 3.34Å; S192-F199 PolarHBondContact OG-N 3.35Å |
| 193 | V | 92.8 | Very high | 92.7 | Very high | 60 Ų | 60 | 76.4 Ų | 76.4 | 36% | 0.364 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -87.7 | 127.3 | 175.2 | 179.8 | 0 | 0 | 0 | 0 | 108.3 | G195 Q196 L254 | V193-G195 PolarHBondContact O-N 3.04Å; V193-Q196 HydrophobicContact CB-CB 4.06Å; V193-Q196 HydrophobicContact CB-CG 3.97Å; V193-Q196 HydrophobicContact CG1-CG 4Å; V193-Q196 WeakPolarHBondContact O-CB 3.35Å; V193-Q196 PolarHBondContact O-N 2.92Å; V193-L254 HydrophobicContact CG2-CD1 4.33Å; V193-L254 HydrophobicContact CG2-CD2 3.46Å; V193-L254 VanDerWaalsContact CG2-CD2 3.46Å |
| 194 | P | 89.6 | Confident | 92.7 | Very high | 128 Ų | 128 | 79.5 Ų | 79.5 | 83% | 0.831 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 129 | 176.4 | -26.9 | 34.8 | 0 | 0 | 0 | 111.9 | Q196 | P194-Q196 VanDerWaalsContact C-N 3.34Š|
| 195 | G | 88.3 | Confident | 92.6 | Very high | 87 Ų | 87 | 81.4 Ų | 81.4 | 90% | 0.897 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.8 | 7.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | V193 | V193-G195 PolarHBondContact O-N 3.04Š|
| 196 | Q | 90.4 | Very high | 92.6 | Very high | 147 Ų | 147 | 77.9 Ų | 77.9 | 69% | 0.687 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -111.8 | 170.1 | 169.8 | -67.5 | -98.3 | -80.7 | 0 | 0 | 110.4 | V193 P194 | V193-Q196 HydrophobicContact CB-CB 4.06Å; V193-Q196 HydrophobicContact CB-CG 3.97Å; V193-Q196 HydrophobicContact CG1-CG 4Å; V193-Q196 WeakPolarHBondContact O-CB 3.35Å; V193-Q196 PolarHBondContact O-N 2.92Å; P194-Q196 VanDerWaalsContact C-N 3.34Å |
| 197 | E | 90.1 | Very high | 92.6 | Very high | 152 Ų | 152 | 78 Ų | 78 | 71% | 0.71 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -56.7 | 141.4 | 171.2 | -168.7 | -176.9 | 175.8 | 0 | 0 | 110.3 | K203 | E197-K203 IonicContact OE1-NZ 3.84Š|
| 198 | M | 92 | Very high | 92.5 | Very high | 113 Ų | 113 | 77.8 Ų | 77.8 | 56% | 0.557 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 140 | 176.9 | -160.8 | 81.1 | 85.8 | 0 | 0 | 109.9 | L188 S192 D200 | L188-M198 HydrophobicContact CD1-CG 3.86Å; L188-M198 HydrophobicContact CD2-CE 4.43Å; L188-M198 HydrophobicContact CD2-CG 3.84Å; L188-M198 HydrophobicContact CD2-SD 4.24Å; L188-M198 HydrophobicContact CG-CG 3.75Å; L188-M198 HydrophobicContact CG-SD 3.95Å; S192-M198 PolarHBondContact OG-SD 3.35Å; S192-M198 VanDerWaalsContact OG-SD 3.34Å; M198-D200 PolarHBondContact O-N 2.96Å |
| 199 | F | 94 | Very high | 92.4 | Very high | 19 Ų | 19 | 83.6 Ų | 83.6 | 8% | 0.083 | 45% | 0.453 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 120.6 | -179.5 | 178.4 | -100.7 | 0 | 0 | 0 | 111.8 | L188 S192 P201 R204 Q258 I261 R262 | L188-F199 HydrophobicContact CD1-CB 4.39Å; L188-F199 WeakPolarHBondContact CD1-O 3.22Å; S192-F199 PolarHBondContact OG-N 3.35Å; F199-P201 HydrophobicContact CE1-CB 4.07Å; F199-R204 HydrophobicContact CE2-CB 3.82Å; F199-R204 HydrophobicContact CE2-CG 3.84Å; F199-R204 HydrophobicContact CZ-CB 4.17Å; F199-R204 HydrophobicContact CZ-CG 4.38Å; F199-Q258 HydrophobicContact CD1-CG 4.45Å; F199-Q258 HydrophobicContact CD2-CB 4.09Å; F199-Q258 HydrophobicContact CD2-CG 3.52Å; F199-Q258 HydrophobicContact CE1-CB 4.22Å; F199-Q258 HydrophobicContact CE1-CG 4.42Å; F199-Q258 HydrophobicContact CE2-CB 3.5Å; F199-Q258 VanDerWaalsContact CE2-CB 3.5Å; F199-Q258 HydrophobicContact CE2-CG 3.46Å; F199-Q258 VanDerWaalsContact CE2-CG 3.46Å; F199-Q258 HydrophobicContact CG-CG 4.02Å; F199-Q258 HydrophobicContact CZ-CB 3.58Å; F199-Q258 HydrophobicContact CZ-CG 3.96Å; F199-Q258 VanDerWaalsContact CZ-O 3.3Å; F199-Q258 WeakPolarHBondContact CZ-O 3.35Å; F199-I261 HydrophobicContact CD1-CB 4.46Å; F199-I261 HydrophobicContact CD1-CG2 4.27Å; F199-I261 HydrophobicContact CE1-CB 4.02Å; F199-I261 HydrophobicContact CE1-CG2 4Å; F199-R262 HydrophobicContact CZ-CB 4.45Å |
| 200 | D | 92.4 | Very high | 92.3 | Very high | 46 Ų | 46 | 83.2 Ų | 83.2 | 25% | 0.246 | 44% | 0.44 | C | S | . | . | trans | -106.2 | 111.1 | 175.4 | -173.2 | -14.7 | 0 | 0 | 0 | 110.9 | M198 R202 K203 R204 | M198-D200 PolarHBondContact O-N 2.96Å; D200-R202 PolarHBondContact O-N 3.46Å; D200-R202 WeakPolarHBondContact OD1-CB 3.41Å; D200-R202 WeakPolarHBondContact OD1-CG 3.34Å; D200-R202 PolarHBondContact OD1-N 2.97Å; D200-K203 HydrophobicContact CB-CB 4.3Å; D200-K203 HydrophobicContact CB-CD 4.18Å; D200-K203 HydrophobicContact CB-CG 4.34Å; D200-K203 PolarHBondContact O-N 3.5Å; D200-K203 VanDerWaalsContact OD2-CD 3.26Å; D200-K203 WeakPolarHBondContact OD2-CD 3.27Å; D200-K203 WeakPolarHBondContact OD2-CE 3.43Å; D200-K203 WeakPolarHBondContact OD2-CG 3.44Å; D200-K203 IonicContact OD2-NZ 2.64Å; D200-R204 PolarHBondContact O-N 2.85Å | ||
| 201 | P | 93.1 | Very high | 92.2 | Very high | 9 Ų | 9 | 82.8 Ų | 82.8 | 6% | 0.058 | 44% | 0.438 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -21.1 | -179.5 | 26.2 | -33.2 | 0 | 0 | 0 | 114 | Y181 F199 I261 R262 F265 | Y181-P201 HydrophobicContact CD1-CG 4.07Å; Y181-P201 HydrophobicContact CE1-CG 3.91Å; F199-P201 HydrophobicContact CE1-CB 4.07Å; P201-I261 HydrophobicContact CB-CG2 3.84Å; P201-I261 HydrophobicContact CG-CG2 3.85Å; P201-R262 HydrophobicContact CB-CB 4.34Å; P201-F265 HydrophobicContact CB-CB 3.85Å; P201-F265 HydrophobicContact CB-CG 4.27Å; P201-F265 HydrophobicContact CG-CB 4.27Å |
| 202 | R | 90.4 | Very high | 92.2 | Very high | 134 Ų | 134 | 89.4 Ų | 89.4 | 51% | 0.506 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -34.7 | 179.4 | -52.5 | -170.7 | -179.7 | -176.2 | -1.7 | 111.5 | V179 D200 F265 | V179-R202 PolarHBondContact O-NH2 3.37Å; D200-R202 PolarHBondContact O-N 3.46Å; D200-R202 WeakPolarHBondContact OD1-CB 3.41Å; D200-R202 WeakPolarHBondContact OD1-CG 3.34Å; D200-R202 PolarHBondContact OD1-N 2.97Å; R202-F265 HydrophobicContact CB-CE1 4.48Å; R202-F265 HydrophobicContact CB-CZ 4.25Å; R202-F265 HydrophobicContact CG-CD2 4.02Å; R202-F265 HydrophobicContact CG-CE1 4.29Å; R202-F265 HydrophobicContact CG-CE2 3.6Å; R202-F265 HydrophobicContact CG-CZ 3.75Å |
| 203 | K | 89.6 | Confident | 91.9 | Very high | 143 Ų | 143 | 94.4 Ų | 94.4 | 62% | 0.622 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -37.1 | -174.9 | -65.2 | 176.9 | -172.5 | 165.8 | 0 | 113.3 | E197 D200 K205 | E197-K203 IonicContact OE1-NZ 3.84Å; D200-K203 HydrophobicContact CB-CB 4.3Å; D200-K203 HydrophobicContact CB-CD 4.18Å; D200-K203 HydrophobicContact CB-CG 4.34Å; D200-K203 PolarHBondContact O-N 3.5Å; D200-K203 VanDerWaalsContact OD2-CD 3.26Å; D200-K203 WeakPolarHBondContact OD2-CD 3.27Å; D200-K203 WeakPolarHBondContact OD2-CE 3.43Å; D200-K203 WeakPolarHBondContact OD2-CG 3.44Å; D200-K203 IonicContact OD2-NZ 2.64Å; K203-K205 PolarHBondContact O-N 3.26Å; K203-K205 VanDerWaalsContact O-N 3.16Å |
| 204 | R | 91.6 | Very high | 91.7 | Very high | 90 Ų | 90 | 98.4 Ų | 98.4 | 34% | 0.34 | 51% | 0.513 | S | S | . | . | trans | -73.9 | 109.4 | -172.3 | -180 | 65.4 | 162.3 | 103.2 | -2.1 | 111 | F199 D200 F206 E210 R262 | F199-R204 HydrophobicContact CE2-CB 3.82Å; F199-R204 HydrophobicContact CE2-CG 3.84Å; F199-R204 HydrophobicContact CZ-CB 4.17Å; F199-R204 HydrophobicContact CZ-CG 4.38Å; D200-R204 PolarHBondContact O-N 2.85Å; R204-F206 HydrophobicContact CG-CE2 4.43Å; R204-F206 HydrophobicContact CG-CZ 4.32Å; R204-E210 IonicContact CZ-OE1 3.85Å; R204-E210 IonicContact NH1-OE1 3.6Å; R204-E210 IonicContact NH1-OE2 3.61Å; R204-E210 PolarHBondContact NH1-OE2 3.24Å; R204-E210 IonicContact NH2-OE1 3.07Å; R204-E210 PolarHBondContact NH2-OE1 3.37Å; R204-E210 VanDerWaalsContact NH2-OE1 3.07Å; R204-E210 IonicContact NH2-OE2 2.77Å; R204-R262 WeakPolarHBondContact O-CD 3.18Å; R204-R262 PolarHBondContact O-NE 3.45Å; R204-R262 PolarHBondContact O-NH1 3.36Å | ||
| 205 | K | 91.6 | Very high | 91.8 | Very high | 128 Ų | 128 | 97.5 Ų | 97.5 | 56% | 0.557 | 51% | 0.507 | S | S | * | . | P | Polyproline II helix | trans | -90.9 | 126.5 | 169.3 | -60 | -171.8 | 178.3 | 179.6 | 0 | 111.5 | E173 K203 | E173-K205 IonicContact OE2-NZ 3.35Å; E173-K205 PolarHBondContact OE2-NZ 3.06Å; K203-K205 PolarHBondContact O-N 3.26Å; K203-K205 VanDerWaalsContact O-N 3.16Å |
| 206 | F | 93.4 | Very high | 92 | Very high | 24 Ų | 24 | 102.1 Ų | 102.1 | 11% | 0.105 | 51% | 0.508 | C | S | . | . | P | Polyproline II helix | trans | -90.5 | 133.3 | 171.7 | -72.3 | -69.7 | 0 | 0 | 0 | 109.7 | R204 E210 L211 Q258 I259 R262 | R204-F206 HydrophobicContact CG-CE2 4.43Å; R204-F206 HydrophobicContact CG-CZ 4.32Å; F206-E210 VanDerWaalsContact CA-OE2 3.29Å; F206-E210 WeakPolarHBondContact CA-OE2 3.29Å; F206-E210 HydrophobicContact CD1-CB 4.29Å; F206-E210 WeakPolarHBondContact CD1-OE2 3.44Å; F206-L211 HydrophobicContact CB-CD1 4.32Å; F206-L211 HydrophobicContact CB-CD2 3.91Å; F206-L211 HydrophobicContact CB-CG 4.01Å; F206-L211 HydrophobicContact CD2-CD2 4.44Å; F206-L211 HydrophobicContact CG-CD2 4.1Å; F206-Q258 HydrophobicContact CZ-CB 3.78Å; F206-I259 HydrophobicContact CD1-CG1 4.24Å; F206-I259 HydrophobicContact CD2-CG1 4.08Å; F206-I259 HydrophobicContact CE1-CG1 3.84Å; F206-I259 HydrophobicContact CE2-CB 4.31Å; F206-I259 HydrophobicContact CE2-CG1 3.69Å; F206-I259 HydrophobicContact CG-CG1 4.36Å; F206-I259 HydrophobicContact CZ-CB 4.45Å; F206-I259 HydrophobicContact CZ-CG1 3.56Å; F206-R262 HydrophobicContact CD2-CB 4.5Å; F206-R262 HydrophobicContact CE2-CB 4.06Å; F206-R262 HydrophobicContact CE2-CG 4.5Å |
| 207 | S | 94.4 | Very high | 92 | Very high | 55 Ų | 55 | 102.1 Ų | 102.1 | 39% | 0.385 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 157.9 | 172.2 | 77.1 | 0 | 0 | 0 | 0 | 111 | E209 E210 L211 | S207-E209 PolarHBondContact O-N 3.46Å; S207-E209 VanDerWaalsContact O-N 3.16Å; S207-E209 PolarHBondContact OG-N 2.85Å; S207-E210 PolarHBondContact N-OE2 3.4Å; S207-E210 VanDerWaalsContact N-OE2 3.11Å; S207-E210 PolarHBondContact O-N 2.98Å; S207-E210 WeakPolarHBondContact OG-CG 3.47Å; S207-E210 PolarHBondContact OG-N 2.99Å; S207-E210 VanDerWaalsContact OG-N 3.16Å; S207-L211 PolarHBondContact O-N 2.94Å |
| 208 | A | 93.1 | Very high | 92.1 | Very high | 75 Ų | 75 | 104.4 Ų | 104.4 | 62% | 0.62 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -25.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | K212 | A208-K212 WeakPolarHBondContact O-CG 3.47Å; A208-K212 PolarHBondContact O-N 3.35Å |
| 209 | E | 92.7 | Very high | 92.1 | Very high | 159 Ų | 159 | 108.3 Ų | 108.3 | 74% | 0.743 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -39.6 | 174.2 | -173.8 | 177.1 | -172.7 | 0 | 0 | 111.9 | S207 L211 K212 | S207-E209 PolarHBondContact O-N 3.46Å; S207-E209 VanDerWaalsContact O-N 3.16Å; S207-E209 PolarHBondContact OG-N 2.85Å; E209-L211 PolarHBondContact O-N 2.86Å; E209-K212 PolarHBondContact O-N 3.15Å |
| 210 | E | 92.8 | Very high | 92 | Very high | 58 Ų | 58 | 111.8 Ų | 111.8 | 27% | 0.271 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65 | -31 | 176.4 | -73.3 | 179.2 | 138.6 | 0 | 0 | 112.1 | R204 F206 S207 K255 | R204-E210 IonicContact CZ-OE1 3.85Å; R204-E210 IonicContact NH1-OE1 3.6Å; R204-E210 IonicContact NH1-OE2 3.61Å; R204-E210 PolarHBondContact NH1-OE2 3.24Å; R204-E210 IonicContact NH2-OE1 3.07Å; R204-E210 PolarHBondContact NH2-OE1 3.37Å; R204-E210 VanDerWaalsContact NH2-OE1 3.07Å; R204-E210 IonicContact NH2-OE2 2.77Å; F206-E210 VanDerWaalsContact CA-OE2 3.29Å; F206-E210 WeakPolarHBondContact CA-OE2 3.29Å; F206-E210 HydrophobicContact CD1-CB 4.29Å; F206-E210 WeakPolarHBondContact CD1-OE2 3.44Å; S207-E210 PolarHBondContact N-OE2 3.4Å; S207-E210 VanDerWaalsContact N-OE2 3.11Å; S207-E210 PolarHBondContact O-N 2.98Å; S207-E210 WeakPolarHBondContact OG-CG 3.47Å; S207-E210 PolarHBondContact OG-N 2.99Å; S207-E210 VanDerWaalsContact OG-N 3.16Å; E210-K255 WeakPolarHBondContact O-CE 3.24Å; E210-K255 PolarHBondContact O-NZ 3.22Å |
| 211 | L | 93.8 | Very high | 92.1 | Very high | 95 Ų | 95 | 121.2 Ų | 121.2 | 50% | 0.497 | 60% | 0.597 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.4 | -14.8 | 179.3 | -63.4 | 177.1 | 0 | 0 | 0 | 113.4 | F206 S207 E209 I259 | F206-L211 HydrophobicContact CB-CD1 4.32Å; F206-L211 HydrophobicContact CB-CD2 3.91Å; F206-L211 HydrophobicContact CB-CG 4.01Å; F206-L211 HydrophobicContact CD2-CD2 4.44Å; F206-L211 HydrophobicContact CG-CD2 4.1Å; S207-L211 PolarHBondContact O-N 2.94Å; E209-L211 PolarHBondContact O-N 2.86Å; L211-I259 HydrophobicContact CD2-CD1 3.82Å; L211-I259 HydrophobicContact CD2-CG1 3.91Å; L211-I259 HydrophobicContact CD2-CG2 4.11Å |
| 212 | K | 93.7 | Very high | 92 | Very high | 141 Ų | 141 | 130 Ų | 130 | 61% | 0.613 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -69.1 | 141.4 | 177.6 | -79.2 | 169.2 | -172.8 | 177.7 | 0 | 110.6 | A208 E209 Q214 | A208-K212 WeakPolarHBondContact O-CG 3.47Å; A208-K212 PolarHBondContact O-N 3.35Å; E209-K212 PolarHBondContact O-N 3.15Å; K212-Q214 PolarHBondContact O-N 2.96Å |
| 213 | P | 90.7 | Very high | 92 | Very high | 120 Ų | 120 | 129.5 Ų | 129.5 | 78% | 0.779 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 142.5 | 173.1 | 26.4 | -33.5 | 0 | 0 | 0 | 109.4 | ||
| 214 | Q | 88.8 | Confident | 92 | Very high | 144 Ų | 144 | 129.7 Ų | 129.7 | 67% | 0.673 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 138.9 | 175.8 | -73.2 | -162.9 | 0.4 | 0 | 0 | 110 | K212 M216 | K212-Q214 PolarHBondContact O-N 2.96Å; Q214-M216 PolarHBondContact O-N 3.35Å |
| 215 | P | 91.8 | Very high | 91.9 | Very high | 108 Ų | 108 | 127.8 Ų | 127.8 | 70% | 0.701 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 136.6 | 179.9 | 24.6 | -33.8 | 0 | 0 | 0 | 110.3 | I217 | P215-I217 PolarHBondContact O-N 3.27Š|
| 216 | M | 90.8 | Very high | 92.1 | Very high | 185 Ų | 185 | 124.8 Ų | 124.8 | 91% | 0.911 | 64% | 0.636 | S | S | * | * | trans | -72.4 | 103.9 | 177.5 | -178.4 | 168.3 | 54.6 | 0 | 0 | 109.7 | Q214 | Q214-M216 PolarHBondContact O-N 3.35Š| ||
| 217 | I | 90.4 | Very high | 92 | Very high | 147 Ų | 147 | 129.2 Ų | 129.2 | 75% | 0.754 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 125.6 | 174.5 | -58.4 | 172.3 | 0 | 0 | 0 | 108.4 | P215 K219 | P215-I217 PolarHBondContact O-N 3.27Å; I217-K219 PolarHBondContact O-N 3.02Å |
| 218 | K | 93.8 | Very high | 91.9 | Very high | 200 Ų | 200 | 134.2 Ų | 134.2 | 87% | 0.87 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 121.5 | 174.8 | -68.1 | -176.1 | -179.5 | 178.1 | 0 | 109.2 | ||
| 219 | K | 91.4 | Very high | 91.9 | Very high | 195 Ų | 195 | 136.3 Ų | 136.3 | 85% | 0.848 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 137.9 | 174 | 64.3 | -175.7 | 178.6 | -172.8 | 0 | 110 | I217 | I217-K219 PolarHBondContact O-N 3.02Š|
| 220 | A | 92.6 | Very high | 92 | Very high | 92 Ų | 92 | 130.8 Ų | 130.8 | 76% | 0.76 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 152.5 | 169 | 0 | 0 | 0 | 0 | 0 | 110.4 | K222 | A220-K222 PolarHBondContact O-N 3.23Š|
| 221 | R | 93.6 | Very high | 92.1 | Very high | 243 Ų | 243 | 131.8 Ų | 131.8 | 92% | 0.917 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 133.6 | 175.7 | -68.6 | -176.1 | 179.3 | -124.7 | 1.6 | 109.4 | V223 | R221-V223 PolarHBondContact O-N 3.42Š|
| 222 | K | 91.6 | Very high | 92.3 | Very high | 193 Ų | 193 | 133.9 Ų | 133.9 | 84% | 0.839 | 67% | 0.673 | S | S | * | * | trans | -75.1 | 112.6 | 179 | -172.9 | 178.9 | 178.9 | -172.3 | 0 | 108.5 | A220 | A220-K222 PolarHBondContact O-N 3.23Š| ||
| 223 | V | 89.8 | Confident | 92.4 | Very high | 125 Ų | 125 | 133.8 Ų | 133.8 | 76% | 0.758 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 119.4 | 169.4 | -178.1 | 0 | 0 | 0 | 0 | 107.6 | R221 | R221-V223 PolarHBondContact O-N 3.42Š|
| 224 | F | 89 | Confident | 92.6 | Very high | 147 Ų | 147 | 130.4 Ų | 130.4 | 65% | 0.645 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 132.6 | 174.6 | -173.4 | -102.2 | 0 | 0 | 0 | 109.3 | ||
| 225 | I | 90.3 | Very high | 92.9 | Very high | 50 Ų | 50 | 128.9 Ų | 128.9 | 26% | 0.256 | 63% | 0.632 | S | S | . | * | P | Polyproline II helix | trans | -100.9 | 119.9 | 174.9 | -57.2 | -171.7 | 0 | 0 | 0 | 106.7 | L229 K230 Y234 | I225-L229 HydrophobicContact CG2-CB 3.72Å; I225-K230 HydrophobicContact CG2-CG 4.26Å; I225-Y234 HydrophobicContact CD1-CD2 3.63Å; I225-Y234 HydrophobicContact CD1-CE2 4.01Å; I225-Y234 HydrophobicContact CG1-CD2 4.49Å; I225-Y234 HydrophobicContact CG1-CE2 4.45Å |
| 226 | P | 95.7 | Very high | 93.2 | Very high | 64 Ų | 64 | 126 Ų | 126 | 42% | 0.416 | 62% | 0.618 | S | S | . | * | P | Polyproline II helix | trans | -50.5 | 150.3 | 173.1 | -27.1 | 34.8 | 0 | 0 | 0 | 112.1 | D228 L229 K230 | P226-D228 VanDerWaalsContact C-N 3.29Å; P226-D228 PolarHBondContact O-N 2.8Å; P226-L229 HydrophobicContact CG-CD1 4.27Å; P226-L229 PolarHBondContact O-N 2.99Å; P226-K230 PolarHBondContact O-N 2.93Å |
| 227 | E | 90.6 | Very high | 93.4 | Very high | 118 Ų | 118 | 123 Ų | 123 | 55% | 0.551 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -56.7 | -43.2 | -174.9 | -161.4 | 65.2 | -136.5 | 0 | 0 | 112.1 | L229 K230 | E227-L229 PolarHBondContact O-N 3.19Å; E227-K230 VanDerWaalsContact CD-NZ 3.32Å; E227-K230 WeakPolarHBondContact O-CB 3.43Å; E227-K230 PolarHBondContact O-N 2.92Å; E227-K230 WeakPolarHBondContact OE1-CD 3.28Å; E227-K230 IonicContact OE1-NZ 3.33Å; E227-K230 PolarHBondContact OE1-NZ 2.88Å; E227-K230 WeakPolarHBondContact OE2-CE 3.45Å; E227-K230 IonicContact OE2-NZ 2.6Å; E227-K230 PolarHBondContact OE2-NZ 2.97Å |
| 228 | D | 92.9 | Very high | 93.7 | Very high | 160 Ų | 160 | 121.2 Ų | 121.2 | 86% | 0.856 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -63.2 | -17.1 | -179.7 | -51.9 | -43.2 | 0 | 0 | 0 | 113.6 | P226 | P226-D228 VanDerWaalsContact C-N 3.29Å; P226-D228 PolarHBondContact O-N 2.8Å |
| 229 | L | 92.4 | Very high | 93.9 | Very high | 119 Ų | 119 | 119.5 Ų | 119.5 | 62% | 0.623 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -105.3 | 5.1 | -179.6 | -60.6 | -178 | 0 | 0 | 0 | 113 | I225 P226 E227 D231 | I225-L229 HydrophobicContact CG2-CB 3.72Å; P226-L229 HydrophobicContact CG-CD1 4.27Å; P226-L229 PolarHBondContact O-N 2.99Å; E227-L229 PolarHBondContact O-N 3.19Å; L229-D231 PolarHBondContact O-N 2.87Å; L229-D231 VanDerWaalsContact O-N 3.07Å |
| 230 | K | 95.3 | Very high | 94.2 | Very high | 42 Ų | 42 | 118 Ų | 118 | 18% | 0.183 | 56% | 0.562 | C | S | . | * | trans | -81 | 86.4 | 175.2 | -69.1 | 179.6 | -172.7 | 168.9 | 0 | 110.8 | I225 P226 E227 Y234 W235 | I225-K230 HydrophobicContact CG2-CG 4.26Å; P226-K230 PolarHBondContact O-N 2.93Å; E227-K230 VanDerWaalsContact CD-NZ 3.32Å; E227-K230 WeakPolarHBondContact O-CB 3.43Å; E227-K230 PolarHBondContact O-N 2.92Å; E227-K230 WeakPolarHBondContact OE1-CD 3.28Å; E227-K230 IonicContact OE1-NZ 3.33Å; E227-K230 PolarHBondContact OE1-NZ 2.88Å; E227-K230 WeakPolarHBondContact OE2-CE 3.45Å; E227-K230 IonicContact OE2-NZ 2.6Å; E227-K230 PolarHBondContact OE2-NZ 2.97Å; K230-Y234 HydrophobicContact CB-CD1 3.8Å; K230-Y234 HydrophobicContact CB-CE1 4.27Å; K230-Y234 HydrophobicContact CB-CG 4.41Å; K230-Y234 HydrophobicContact CD-CD1 4.08Å; K230-Y234 HydrophobicContact CD-CE1 3.68Å; K230-Y234 HydrophobicContact CG-CD1 3.72Å; K230-Y234 HydrophobicContact CG-CE1 3.76Å; K230-Y234 HydrophobicContact CG-CG 4.29Å; K230-W235 HydrophobicContact CD-CZ2 4.05Å | ||
| 231 | D | 95.6 | Very high | 94.5 | Very high | 80 Ų | 80 | 117.9 Ų | 117.9 | 43% | 0.428 | 55% | 0.548 | S | S | . | . | trans | -75.6 | 172.4 | 174.3 | 66.3 | -5.3 | 0 | 0 | 0 | 113.7 | L229 K233 Y234 W235 R237 | L229-D231 PolarHBondContact O-N 2.87Å; L229-D231 VanDerWaalsContact O-N 3.07Å; D231-K233 PolarHBondContact O-N 3.29Å; D231-K233 WeakPolarHBondContact OD2-CB 3.42Å; D231-Y234 WeakPolarHBondContact O-CB 3.34Å; D231-Y234 PolarHBondContact O-N 3.01Å; D231-Y234 VanDerWaalsContact OD1-CB 3.24Å; D231-Y234 WeakPolarHBondContact OD1-CB 3.3Å; D231-Y234 PolarHBondContact OD1-N 3.38Å; D231-W235 PolarHBondContact O-N 3.5Å; D231-W235 VanDerWaalsContact O-N 3.12Å; D231-R237 IonicContact OD1-NH2 3.79Å | ||
| 232 | D | 96.6 | Very high | 94.7 | Very high | 139 Ų | 139 | 110.1 Ų | 110.1 | 74% | 0.743 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -58 | -33 | 175 | -74.9 | -28.7 | 0 | 0 | 0 | 112.5 | Y234 W235 A236 | D232-Y234 VanDerWaalsContact C-N 3.35Å; D232-W235 PolarHBondContact O-N 3.06Å; D232-A236 WeakPolarHBondContact O-CB 3.47Å; D232-A236 PolarHBondContact O-N 3.47Å |
| 233 | K | 96.1 | Very high | 95 | Very high | 138 Ų | 138 | 105.8 Ų | 105.8 | 60% | 0.6 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.1 | -40.4 | 176.4 | -168.7 | -179.4 | -178 | 174.7 | 0 | 111.1 | D231 R237 | D231-K233 PolarHBondContact O-N 3.29Å; D231-K233 WeakPolarHBondContact OD2-CB 3.42Å; K233-R237 WeakPolarHBondContact O-CG 3.45Å; K233-R237 PolarHBondContact O-N 2.94Å; K233-R237 PolarHBondContact O-NE 3.11Å |
| 234 | Y | 95.3 | Very high | 95.4 | Very high | 49 Ų | 49 | 102.4 Ų | 102.4 | 19% | 0.192 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -60.3 | -50.9 | 171.5 | 172 | -96.7 | 0 | 0 | 0 | 111.2 | I225 K230 D231 D232 A236 R237 R238 | I225-Y234 HydrophobicContact CD1-CD2 3.63Å; I225-Y234 HydrophobicContact CD1-CE2 4.01Å; I225-Y234 HydrophobicContact CG1-CD2 4.49Å; I225-Y234 HydrophobicContact CG1-CE2 4.45Å; K230-Y234 HydrophobicContact CB-CD1 3.8Å; K230-Y234 HydrophobicContact CB-CE1 4.27Å; K230-Y234 HydrophobicContact CB-CG 4.41Å; K230-Y234 HydrophobicContact CD-CD1 4.08Å; K230-Y234 HydrophobicContact CD-CE1 3.68Å; K230-Y234 HydrophobicContact CG-CD1 3.72Å; K230-Y234 HydrophobicContact CG-CE1 3.76Å; K230-Y234 HydrophobicContact CG-CG 4.29Å; D231-Y234 WeakPolarHBondContact O-CB 3.34Å; D231-Y234 PolarHBondContact O-N 3.01Å; D231-Y234 VanDerWaalsContact OD1-CB 3.24Å; D231-Y234 WeakPolarHBondContact OD1-CB 3.3Å; D231-Y234 PolarHBondContact OD1-N 3.38Å; D232-Y234 VanDerWaalsContact C-N 3.35Å; Y234-A236 VanDerWaalsContact C-N 3.34Å; Y234-A236 PolarHBondContact O-N 3.14Å; Y234-R237 WeakPolarHBondContact O-CB 3.31Å; Y234-R237 PolarHBondContact O-N 2.97Å; Y234-R238 WeakPolarHBondContact O-CB 3.49Å; Y234-R238 PolarHBondContact O-N 2.99Å |
| 235 | W | 95.8 | Very high | 95.7 | Very high | 113 Ų | 113 | 97.2 Ų | 97.2 | 43% | 0.428 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64 | -37.4 | -179.5 | -71.8 | 115 | 0 | 0 | 0 | 113 | K230 D231 D232 R238 R239 | K230-W235 HydrophobicContact CD-CZ2 4.05Å; D231-W235 PolarHBondContact O-N 3.5Å; D231-W235 VanDerWaalsContact O-N 3.12Å; D232-W235 PolarHBondContact O-N 3.06Å; W235-R238 PolarHBondContact O-N 2.84Å; W235-R239 WeakPolarHBondContact O-CB 3.42Å; W235-R239 WeakPolarHBondContact O-CG 3.48Å; W235-R239 PolarHBondContact O-N 2.9Å; W235-R239 PolarHBondContact O-NE 2.97Å |
| 236 | A | 97.2 | Very high | 96.1 | Very high | 48 Ų | 48 | 101 Ų | 101 | 40% | 0.397 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.4 | -47.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | D232 Y234 R238 R239 K240 | D232-A236 WeakPolarHBondContact O-CB 3.47Å; D232-A236 PolarHBondContact O-N 3.47Å; Y234-A236 VanDerWaalsContact C-N 3.34Å; Y234-A236 PolarHBondContact O-N 3.14Å; A236-R238 VanDerWaalsContact C-N 3.34Å; A236-R238 PolarHBondContact O-N 3Å; A236-R239 PolarHBondContact O-N 2.9Å; A236-K240 WeakPolarHBondContact O-CB 3.12Å; A236-K240 PolarHBondContact O-N 3.23Å |
| 237 | R | 96.1 | Very high | 96.2 | Very high | 122 Ų | 122 | 107.4 Ų | 107.4 | 46% | 0.46 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.5 | -42.5 | 174.1 | -74.3 | -179.3 | -62.3 | -129.1 | -6.8 | 111.9 | D231 K233 Y234 K240 N241 | D231-R237 IonicContact OD1-NH2 3.79Å; K233-R237 WeakPolarHBondContact O-CG 3.45Å; K233-R237 PolarHBondContact O-N 2.94Å; K233-R237 PolarHBondContact O-NE 3.11Å; Y234-R237 WeakPolarHBondContact O-CB 3.31Å; Y234-R237 PolarHBondContact O-N 2.97Å; R237-K240 PolarHBondContact O-N 3.34Å; R237-N241 WeakPolarHBondContact O-CB 3.33Å; R237-N241 PolarHBondContact O-N 3.16Å |
| 238 | R | 96.6 | Very high | 96.5 | Very high | 108 Ų | 108 | 104.8 Ų | 104.8 | 41% | 0.408 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.5 | -45.7 | -179 | -172.2 | 63.5 | -178.7 | 134.7 | 1.9 | 111.6 | Y234 W235 A236 N241 N242 | Y234-R238 WeakPolarHBondContact O-CB 3.49Å; Y234-R238 PolarHBondContact O-N 2.99Å; W235-R238 PolarHBondContact O-N 2.84Å; A236-R238 VanDerWaalsContact C-N 3.34Å; A236-R238 PolarHBondContact O-N 3Å; R238-N241 PolarHBondContact NH1-OD1 3.49Å; R238-N241 PolarHBondContact O-N 3.09Å; R238-N242 PolarHBondContact NH1-OD1 3.24Å; R238-N242 VanDerWaalsContact O-CG 3.31Å; R238-N242 PolarHBondContact O-N 2.81Å |
| 239 | R | 98.1 | Very high | 96.7 | Very high | 165 Ų | 165 | 105.6 Ų | 105.6 | 62% | 0.623 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59 | -47.5 | 173.4 | -74.1 | -176.6 | -71.9 | 171.7 | -4.5 | 111.4 | W235 A236 N241 N242 V243 | W235-R239 WeakPolarHBondContact O-CB 3.42Å; W235-R239 WeakPolarHBondContact O-CG 3.48Å; W235-R239 PolarHBondContact O-N 2.9Å; W235-R239 PolarHBondContact O-NE 2.97Å; A236-R239 PolarHBondContact O-N 2.9Å; R239-N241 PolarHBondContact O-N 3.4Å; R239-N242 PolarHBondContact O-N 3.33Å; R239-V243 WeakPolarHBondContact O-CG2 3.2Å; R239-V243 PolarHBondContact O-N 3Å |
| 240 | K | 98.1 | Very high | 96.9 | Very high | 164 Ų | 164 | 103.1 Ų | 103.1 | 71% | 0.713 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -59.6 | -43.2 | 177.2 | -171.8 | 175.1 | -177.7 | 176.1 | 0 | 112.3 | A236 R237 V243 A244 | A236-K240 WeakPolarHBondContact O-CB 3.12Å; A236-K240 PolarHBondContact O-N 3.23Å; R237-K240 PolarHBondContact O-N 3.34Å; K240-V243 PolarHBondContact O-N 3.18Å; K240-A244 WeakPolarHBondContact O-CB 3.44Å; K240-A244 PolarHBondContact O-N 3.14Å |
| 241 | N | 97.3 | Very high | 96.9 | Very high | 88 Ų | 88 | 103.8 Ų | 103.8 | 47% | 0.471 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.6 | -40.8 | 177 | 177.2 | -106.9 | 0 | 0 | 0 | 112.4 | R237 R238 R239 A244 A245 | R237-N241 WeakPolarHBondContact O-CB 3.33Å; R237-N241 PolarHBondContact O-N 3.16Å; R238-N241 PolarHBondContact NH1-OD1 3.49Å; R238-N241 PolarHBondContact O-N 3.09Å; R239-N241 PolarHBondContact O-N 3.4Å; N241-A244 PolarHBondContact O-N 3.46Å; N241-A245 VanDerWaalsContact O-CB 3.26Å; N241-A245 WeakPolarHBondContact O-CB 3.15Å; N241-A245 PolarHBondContact O-N 2.67Å |
| 242 | N | 98.1 | Very high | 97 | Very high | 80 Ų | 80 | 105.8 Ų | 105.8 | 43% | 0.428 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.9 | -43.7 | 176.6 | -71.1 | -12.5 | 0 | 0 | 0 | 111.6 | R238 R239 A245 K246 | R238-N242 PolarHBondContact NH1-OD1 3.24Å; R238-N242 VanDerWaalsContact O-CG 3.31Å; R238-N242 PolarHBondContact O-N 2.81Å; R239-N242 PolarHBondContact O-N 3.33Å; N242-A245 PolarHBondContact O-N 3.19Å; N242-K246 PolarHBondContact O-N 2.64Å |
| 243 | V | 98.1 | Very high | 97 | Very high | 102 Ų | 102 | 106.6 Ų | 106.6 | 62% | 0.618 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.9 | -46.2 | 175.6 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | R239 K240 A245 K246 R247 | R239-V243 WeakPolarHBondContact O-CG2 3.2Å; R239-V243 PolarHBondContact O-N 3Å; K240-V243 PolarHBondContact O-N 3.18Å; V243-A245 VanDerWaalsContact C-N 3.35Å; V243-A245 PolarHBondContact O-N 3.36Å; V243-K246 PolarHBondContact O-N 3.42Å; V243-R247 WeakPolarHBondContact O-CB 3.2Å; V243-R247 PolarHBondContact O-N 2.7Å |
| 244 | A | 97.4 | Very high | 97 | Very high | 55 Ų | 55 | 102.1 Ų | 102.1 | 46% | 0.455 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.1 | -41.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | K240 N241 R247 S248 | K240-A244 WeakPolarHBondContact O-CB 3.44Å; K240-A244 PolarHBondContact O-N 3.14Å; N241-A244 PolarHBondContact O-N 3.46Å; A244-R247 PolarHBondContact O-N 3.17Å; A244-S248 VanDerWaalsContact O-CB 3.31Å; A244-S248 WeakPolarHBondContact O-CB 3.49Å; A244-S248 PolarHBondContact O-N 3.11Å |
| 245 | A | 97.2 | Very high | 97 | Very high | 37 Ų | 37 | 103 Ų | 103 | 31% | 0.306 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.6 | -42.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | N241 N242 V243 S248 R249 | N241-A245 VanDerWaalsContact O-CB 3.26Å; N241-A245 WeakPolarHBondContact O-CB 3.15Å; N241-A245 PolarHBondContact O-N 2.67Å; N242-A245 PolarHBondContact O-N 3.19Å; V243-A245 VanDerWaalsContact C-N 3.35Å; V243-A245 PolarHBondContact O-N 3.36Å; A245-S248 PolarHBondContact O-N 3.47Å; A245-R249 WeakPolarHBondContact O-CG 3.3Å; A245-R249 PolarHBondContact O-N 3.42Å |
| 246 | K | 97.9 | Very high | 97 | Very high | 131 Ų | 131 | 102.7 Ų | 102.7 | 57% | 0.57 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -59.7 | -53.1 | 173.5 | -176.5 | -179.2 | -176.2 | -65.8 | 0 | 110.7 | N242 V243 S248 R249 D250 | N242-K246 PolarHBondContact O-N 2.64Å; V243-K246 PolarHBondContact O-N 3.42Å; K246-S248 VanDerWaalsContact C-N 3.28Å; K246-S248 PolarHBondContact O-N 3.03Å; K246-R249 PolarHBondContact O-N 3.19Å; K246-R249 VanDerWaalsContact O-N 3.11Å; K246-D250 WeakPolarHBondContact CG-OD2 3.5Å; K246-D250 IonicContact NZ-OD2 3.99Å; K246-D250 PolarHBondContact NZ-OD2 3.46Å; K246-D250 VanDerWaalsContact O-CG 3.28Å; K246-D250 PolarHBondContact O-N 3.39Å |
| 247 | R | 97.4 | Very high | 97 | Very high | 198 Ų | 198 | 102.3 Ų | 102.3 | 75% | 0.747 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -57.3 | -40.6 | 178.6 | -173.6 | 177.4 | -177.7 | 172.8 | 1.4 | 112.4 | V243 A244 A251 | V243-R247 WeakPolarHBondContact O-CB 3.2Å; V243-R247 PolarHBondContact O-N 2.7Å; A244-R247 PolarHBondContact O-N 3.17Å; R247-A251 VanDerWaalsContact O-CB 3.26Å; R247-A251 WeakPolarHBondContact O-CB 3.44Å; R247-A251 PolarHBondContact O-N 2.66Å |
| 248 | S | 96.9 | Very high | 97.1 | Very high | 62 Ų | 62 | 97.9 Ų | 97.9 | 43% | 0.434 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65 | -41.8 | 177.2 | 175.9 | 0 | 0 | 0 | 0 | 112.3 | A244 A245 K246 R252 | A244-S248 VanDerWaalsContact O-CB 3.31Å; A244-S248 WeakPolarHBondContact O-CB 3.49Å; A244-S248 PolarHBondContact O-N 3.11Å; A245-S248 PolarHBondContact O-N 3.47Å; K246-S248 VanDerWaalsContact C-N 3.28Å; K246-S248 PolarHBondContact O-N 3.03Å; S248-R252 WeakPolarHBondContact O-CB 3.38Å; S248-R252 PolarHBondContact O-N 3.16Å |
| 249 | R | 97.4 | Very high | 97.1 | Very high | 178 Ų | 178 | 95.1 Ų | 95.1 | 67% | 0.672 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -65.8 | -46.6 | 175.4 | -73.2 | 172.2 | 174.9 | 175.6 | -3.8 | 111.7 | A245 K246 A251 R252 R253 | A245-R249 WeakPolarHBondContact O-CG 3.3Å; A245-R249 PolarHBondContact O-N 3.42Å; K246-R249 PolarHBondContact O-N 3.19Å; K246-R249 VanDerWaalsContact O-N 3.11Å; R249-A251 VanDerWaalsContact C-N 3.35Å; R249-A251 PolarHBondContact O-N 3.05Å; R249-R252 PolarHBondContact O-N 3.44Å; R249-R253 WeakPolarHBondContact O-CB 3.36Å; R249-R253 PolarHBondContact O-N 3.37Å |
| 250 | D | 96.9 | Very high | 97 | Very high | 67 Ų | 67 | 90.1 Ų | 90.1 | 36% | 0.358 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.9 | -44.1 | 179.9 | -65.5 | -12.3 | 0 | 0 | 0 | 110.5 | K246 R252 R253 L254 | K246-D250 WeakPolarHBondContact CG-OD2 3.5Å; K246-D250 IonicContact NZ-OD2 3.99Å; K246-D250 PolarHBondContact NZ-OD2 3.46Å; K246-D250 VanDerWaalsContact O-CG 3.28Å; K246-D250 PolarHBondContact O-N 3.39Å; D250-R252 PolarHBondContact O-N 3.49Å; D250-R253 PolarHBondContact O-N 3.24Å; D250-L254 WeakPolarHBondContact O-CB 3.32Å; D250-L254 PolarHBondContact O-N 3.22Å |
| 251 | A | 95.8 | Very high | 97 | Very high | 56 Ų | 56 | 82.6 Ų | 82.6 | 46% | 0.463 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.6 | -38.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | R247 R249 K255 | R247-A251 VanDerWaalsContact O-CB 3.26Å; R247-A251 WeakPolarHBondContact O-CB 3.44Å; R247-A251 PolarHBondContact O-N 2.66Å; R249-A251 VanDerWaalsContact C-N 3.35Å; R249-A251 PolarHBondContact O-N 3.05Å; A251-K255 PolarHBondContact O-N 3.01Å; A251-K255 VanDerWaalsContact O-N 3.14Å |
| 252 | R | 96.3 | Very high | 96.9 | Very high | 121 Ų | 121 | 80.1 Ų | 80.1 | 46% | 0.457 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.7 | -50.7 | 174.6 | 179.4 | -178.3 | -60.8 | 151.4 | 0.8 | 110.9 | S248 R249 D250 L254 K255 E256 | S248-R252 WeakPolarHBondContact O-CB 3.38Å; S248-R252 PolarHBondContact O-N 3.16Å; R249-R252 PolarHBondContact O-N 3.44Å; D250-R252 PolarHBondContact O-N 3.49Å; R252-L254 VanDerWaalsContact C-N 3.33Å; R252-L254 PolarHBondContact O-N 2.94Å; R252-K255 WeakPolarHBondContact O-CB 3.48Å; R252-K255 PolarHBondContact O-N 3.06Å; R252-K255 VanDerWaalsContact O-N 3.16Å; R252-E256 WeakPolarHBondContact CD-OE1 3.06Å; R252-E256 HydrophobicContact CG-CG 4.36Å; R252-E256 WeakPolarHBondContact CG-OE1 2.86Å; R252-E256 WeakPolarHBondContact O-CG 3.26Å; R252-E256 PolarHBondContact O-N 3.1Å |
| 253 | R | 96.8 | Very high | 96.8 | Very high | 157 Ų | 157 | 78.2 Ų | 78.2 | 59% | 0.592 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -59 | -45.1 | 179.9 | -178.7 | -177.5 | -75.3 | 164.7 | -9.2 | 111.4 | R249 D250 K255 E256 N257 | R249-R253 WeakPolarHBondContact O-CB 3.36Å; R249-R253 PolarHBondContact O-N 3.37Å; D250-R253 PolarHBondContact O-N 3.24Å; R253-K255 VanDerWaalsContact C-N 3.33Å; R253-K255 PolarHBondContact O-N 2.98Å; R253-E256 PolarHBondContact O-N 2.92Å; R253-N257 WeakPolarHBondContact O-CB 3.45Å; R253-N257 PolarHBondContact O-N 3.04Å; R253-N257 PolarHBondContact O-ND2 2.94Å; R253-N257 PolarHBondContact O-OD1 3.4Å |
| 254 | L | 96.3 | Very high | 96.7 | Very high | 43 Ų | 43 | 74 Ų | 74 | 23% | 0.225 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -56 | -48.3 | 175.8 | 178.8 | 70.9 | 0 | 0 | 0 | 111.3 | S191 V193 D250 R252 E256 N257 Q258 | S191-L254 WeakPolarHBondContact O-CD1 3.39Å; V193-L254 HydrophobicContact CG2-CD1 4.33Å; V193-L254 HydrophobicContact CG2-CD2 3.46Å; V193-L254 VanDerWaalsContact CG2-CD2 3.46Å; D250-L254 WeakPolarHBondContact O-CB 3.32Å; D250-L254 PolarHBondContact O-N 3.22Å; R252-L254 VanDerWaalsContact C-N 3.33Å; R252-L254 PolarHBondContact O-N 2.94Å; L254-E256 PolarHBondContact O-N 3.24Å; L254-N257 PolarHBondContact O-N 3.11Å; L254-Q258 VanDerWaalsContact O-CG 3.31Å; L254-Q258 WeakPolarHBondContact O-CG 3.17Å; L254-Q258 PolarHBondContact O-N 2.92Å |
| 255 | K | 95.6 | Very high | 96.6 | Very high | 69 Ų | 69 | 72 Ų | 72 | 30% | 0.3 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62 | -43.8 | 178.2 | -177.5 | 179 | 175.8 | -176.5 | 0 | 111.8 | E210 A251 R252 R253 Q258 I259 | E210-K255 WeakPolarHBondContact O-CE 3.24Å; E210-K255 PolarHBondContact O-NZ 3.22Å; A251-K255 PolarHBondContact O-N 3.01Å; A251-K255 VanDerWaalsContact O-N 3.14Å; R252-K255 WeakPolarHBondContact O-CB 3.48Å; R252-K255 PolarHBondContact O-N 3.06Å; R252-K255 VanDerWaalsContact O-N 3.16Å; R253-K255 VanDerWaalsContact C-N 3.33Å; R253-K255 PolarHBondContact O-N 2.98Å; K255-Q258 PolarHBondContact O-N 3.28Å; K255-I259 HydrophobicContact CG-CD1 4Å; K255-I259 VanDerWaalsContact O-CG1 3.26Å; K255-I259 WeakPolarHBondContact O-CG1 3.39Å; K255-I259 PolarHBondContact O-N 3.25Å |
| 256 | E | 96.4 | Very high | 96.6 | Very high | 105 Ų | 105 | 73.5 Ų | 73.5 | 49% | 0.491 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 177 | -72.5 | 165.7 | 176.7 | 0 | 0 | 111.5 | R252 R253 L254 I259 A260 | R252-E256 WeakPolarHBondContact CD-OE1 3.06Å; R252-E256 HydrophobicContact CG-CG 4.36Å; R252-E256 WeakPolarHBondContact CG-OE1 2.86Å; R252-E256 WeakPolarHBondContact O-CG 3.26Å; R252-E256 PolarHBondContact O-N 3.1Å; R253-E256 PolarHBondContact O-N 2.92Å; L254-E256 PolarHBondContact O-N 3.24Å; E256-I259 PolarHBondContact O-N 3.33Å; E256-A260 PolarHBondContact O-N 3.47Å |
| 257 | N | 97.3 | Very high | 96.5 | Very high | 41 Ų | 41 | 73.8 Ų | 73.8 | 22% | 0.219 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.1 | -44.6 | 176.9 | -67.2 | -16.2 | 0 | 0 | 0 | 111.9 | L190 S191 R253 L254 I259 A260 I261 | L190-N257 PolarHBondContact O-ND2 3.43Å; L190-N257 VanDerWaalsContact O-ND2 3.17Å; S191-N257 VanDerWaalsContact OG-CB 3.3Å; S191-N257 WeakPolarHBondContact OG-CB 3.39Å; S191-N257 PolarHBondContact OG-O 3.05Å; R253-N257 WeakPolarHBondContact O-CB 3.45Å; R253-N257 PolarHBondContact O-N 3.04Å; R253-N257 PolarHBondContact O-ND2 2.94Å; R253-N257 PolarHBondContact O-OD1 3.4Å; L254-N257 PolarHBondContact O-N 3.11Å; N257-I259 VanDerWaalsContact C-N 3.31Å; N257-I259 PolarHBondContact O-N 2.98Å; N257-A260 WeakPolarHBondContact O-CB 3.08Å; N257-A260 PolarHBondContact O-N 2.78Å; N257-A260 VanDerWaalsContact O-N 3.16Å; N257-I261 PolarHBondContact O-N 2.91Å |
| 258 | Q | 97.1 | Very high | 96.4 | Very high | 29 Ų | 29 | 68.8 Ų | 68.8 | 14% | 0.136 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61 | -40.1 | 175.6 | -70.7 | -179.3 | -2.2 | 0 | 0 | 112.3 | S191 F199 F206 L254 K255 R262 | S191-Q258 VanDerWaalsContact O-CG 3.29Å; S191-Q258 WeakPolarHBondContact O-CG 3.32Å; S191-Q258 PolarHBondContact O-NE2 3.17Å; F199-Q258 HydrophobicContact CD1-CG 4.45Å; F199-Q258 HydrophobicContact CD2-CB 4.09Å; F199-Q258 HydrophobicContact CD2-CG 3.52Å; F199-Q258 HydrophobicContact CE1-CB 4.22Å; F199-Q258 HydrophobicContact CE1-CG 4.42Å; F199-Q258 HydrophobicContact CE2-CB 3.5Å; F199-Q258 VanDerWaalsContact CE2-CB 3.5Å; F199-Q258 HydrophobicContact CE2-CG 3.46Å; F199-Q258 VanDerWaalsContact CE2-CG 3.46Å; F199-Q258 HydrophobicContact CG-CG 4.02Å; F199-Q258 HydrophobicContact CZ-CB 3.58Å; F199-Q258 HydrophobicContact CZ-CG 3.96Å; F199-Q258 VanDerWaalsContact CZ-O 3.3Å; F199-Q258 WeakPolarHBondContact CZ-O 3.35Å; F206-Q258 HydrophobicContact CZ-CB 3.78Å; L254-Q258 VanDerWaalsContact O-CG 3.31Å; L254-Q258 WeakPolarHBondContact O-CG 3.17Å; L254-Q258 PolarHBondContact O-N 2.92Å; K255-Q258 PolarHBondContact O-N 3.28Å; Q258-R262 VanDerWaalsContact O-CB 3.32Å; Q258-R262 WeakPolarHBondContact O-CB 3.42Å; Q258-R262 PolarHBondContact O-N 2.91Å; Q258-R262 VanDerWaalsContact O-N 3.09Å |
| 259 | I | 97 | Very high | 96.3 | Very high | 49 Ų | 49 | 67.9 Ų | 67.9 | 25% | 0.251 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.5 | -44.3 | 174.8 | -69.5 | 166.1 | 0 | 0 | 0 | 110.1 | F206 L211 K255 E256 N257 R262 A263 | F206-I259 HydrophobicContact CD1-CG1 4.24Å; F206-I259 HydrophobicContact CD2-CG1 4.08Å; F206-I259 HydrophobicContact CE1-CG1 3.84Å; F206-I259 HydrophobicContact CE2-CB 4.31Å; F206-I259 HydrophobicContact CE2-CG1 3.69Å; F206-I259 HydrophobicContact CG-CG1 4.36Å; F206-I259 HydrophobicContact CZ-CB 4.45Å; F206-I259 HydrophobicContact CZ-CG1 3.56Å; L211-I259 HydrophobicContact CD2-CD1 3.82Å; L211-I259 HydrophobicContact CD2-CG1 3.91Å; L211-I259 HydrophobicContact CD2-CG2 4.11Å; K255-I259 HydrophobicContact CG-CD1 4Å; K255-I259 VanDerWaalsContact O-CG1 3.26Å; K255-I259 WeakPolarHBondContact O-CG1 3.39Å; K255-I259 PolarHBondContact O-N 3.25Å; E256-I259 PolarHBondContact O-N 3.33Å; N257-I259 VanDerWaalsContact C-N 3.31Å; N257-I259 PolarHBondContact O-N 2.98Å; I259-R262 PolarHBondContact O-N 3.43Å; I259-A263 WeakPolarHBondContact O-CB 3.45Å; I259-A263 PolarHBondContact O-N 2.88Å |
| 260 | A | 96.6 | Very high | 96.2 | Very high | 61 Ų | 61 | 62.9 Ų | 62.9 | 50% | 0.504 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.4 | -50.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E256 N257 R262 A263 G264 | E256-A260 PolarHBondContact O-N 3.47Å; N257-A260 WeakPolarHBondContact O-CB 3.08Å; N257-A260 PolarHBondContact O-N 2.78Å; N257-A260 VanDerWaalsContact O-N 3.16Å; A260-R262 VanDerWaalsContact C-N 3.28Å; A260-R262 PolarHBondContact O-N 3.48Å; A260-A263 PolarHBondContact O-N 3.5Å; A260-G264 PolarHBondContact O-N 3.5Å |
| 261 | I | 96.7 | Very high | 96.1 | Very high | 6 Ų | 6 | 62 Ų | 62 | 3% | 0.031 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.9 | -42.1 | 177.5 | -65.7 | -171.2 | 0 | 0 | 0 | 110.7 | Y181 P183 D187 S191 F199 P201 N257 G264 F265 | Y181-I261 HydrophobicContact CE1-CG2 3.92Å; Y181-I261 PolarHBondContact OH-O 3.5Å; P183-I261 HydrophobicContact CB-CD1 4.28Å; P183-I261 HydrophobicContact CB-CG2 3.94Å; P183-I261 HydrophobicContact CG-CG2 4.2Å; D187-I261 HydrophobicContact CB-CD1 3.95Å; D187-I261 HydrophobicContact CB-CG1 4.29Å; D187-I261 WeakPolarHBondContact O-CD1 3.46Å; S191-I261 WeakPolarHBondContact OG-CD1 3.3Å; F199-I261 HydrophobicContact CD1-CB 4.46Å; F199-I261 HydrophobicContact CD1-CG2 4.27Å; F199-I261 HydrophobicContact CE1-CB 4.02Å; F199-I261 HydrophobicContact CE1-CG2 4Å; P201-I261 HydrophobicContact CB-CG2 3.84Å; P201-I261 HydrophobicContact CG-CG2 3.85Å; N257-I261 PolarHBondContact O-N 2.91Å; I261-G264 PolarHBondContact O-N 3Å; I261-F265 PolarHBondContact O-N 3.41Å |
| 262 | R | 96 | Very high | 96.1 | Very high | 36 Ų | 36 | 60.7 Ų | 60.7 | 14% | 0.136 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.7 | -38.3 | 179.3 | -179.3 | 154.4 | -176 | -118 | 6.1 | 113 | F199 P201 R204 F206 Q258 I259 A260 G264 F265 L266 | F199-R262 HydrophobicContact CZ-CB 4.45Å; P201-R262 HydrophobicContact CB-CB 4.34Å; R204-R262 WeakPolarHBondContact O-CD 3.18Å; R204-R262 PolarHBondContact O-NE 3.45Å; R204-R262 PolarHBondContact O-NH1 3.36Å; F206-R262 HydrophobicContact CD2-CB 4.5Å; F206-R262 HydrophobicContact CE2-CB 4.06Å; F206-R262 HydrophobicContact CE2-CG 4.5Å; Q258-R262 VanDerWaalsContact O-CB 3.32Å; Q258-R262 WeakPolarHBondContact O-CB 3.42Å; Q258-R262 PolarHBondContact O-N 2.91Å; Q258-R262 VanDerWaalsContact O-N 3.09Å; I259-R262 PolarHBondContact O-N 3.43Å; A260-R262 VanDerWaalsContact C-N 3.28Å; A260-R262 PolarHBondContact O-N 3.48Å; R262-G264 VanDerWaalsContact C-N 3.33Å; R262-F265 WeakPolarHBondContact O-CB 3.48Å; R262-F265 PolarHBondContact O-N 3.4Å; R262-L266 HydrophobicContact CG-CD1 4.14Å; R262-L266 HydrophobicContact CG-CG 4.37Å; R262-L266 WeakPolarHBondContact O-CG 3.3Å; R262-L266 PolarHBondContact O-N 3.32Å |
| 263 | A | 96.6 | Very high | 96.1 | Very high | 39 Ų | 39 | 58 Ų | 58 | 32% | 0.322 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.5 | -47 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | I259 A260 F265 L266 E267 | I259-A263 WeakPolarHBondContact O-CB 3.45Å; I259-A263 PolarHBondContact O-N 2.88Å; A260-A263 PolarHBondContact O-N 3.5Å; A263-F265 VanDerWaalsContact C-N 3.31Å; A263-F265 PolarHBondContact O-N 3.17Å; A263-L266 PolarHBondContact O-N 3.27Å; A263-L266 VanDerWaalsContact O-N 3.15Å; A263-E267 WeakPolarHBondContact O-CG 3.29Å; A263-E267 PolarHBondContact O-N 2.9Å |
| 264 | G | 95.6 | Very high | 96 | Very high | 15 Ų | 15 | 58.1 Ų | 58.1 | 16% | 0.155 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.8 | -38.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y181 A260 I261 R262 K268 | Y181-G264 WeakPolarHBondContact CE2-O 3.48Å; A260-G264 PolarHBondContact O-N 3.5Å; I261-G264 PolarHBondContact O-N 3Å; R262-G264 VanDerWaalsContact C-N 3.33Å; G264-K268 PolarHBondContact O-N 3.24Å |
| 265 | F | 95.7 | Very high | 96 | Very high | 12 Ų | 12 | 60.1 Ų | 60.1 | 5% | 0.053 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.7 | -50.9 | 172.4 | 169.3 | -101.3 | 0 | 0 | 0 | 111.8 | Y181 P201 R202 I261 R262 A263 E267 K268 E269 | Y181-F265 HydrophobicContact CD1-CB 3.9Å; Y181-F265 HydrophobicContact CD1-CD2 4.05Å; Y181-F265 HydrophobicContact CD1-CG 4.46Å; Y181-F265 HydrophobicContact CD2-CB 4.27Å; Y181-F265 HydrophobicContact CE1-CB 3.98Å; Y181-F265 HydrophobicContact CE2-CB 4.4Å; Y181-F265 HydrophobicContact CG-CB 4.05Å; Y181-F265 AromaticContact CG-CD2 3.91Å; Y181-F265 HydrophobicContact CG-CD2 3.91Å; P201-F265 HydrophobicContact CB-CB 3.85Å; P201-F265 HydrophobicContact CB-CG 4.27Å; P201-F265 HydrophobicContact CG-CB 4.27Å; R202-F265 HydrophobicContact CB-CE1 4.48Å; R202-F265 HydrophobicContact CB-CZ 4.25Å; R202-F265 HydrophobicContact CG-CD2 4.02Å; R202-F265 HydrophobicContact CG-CE1 4.29Å; R202-F265 HydrophobicContact CG-CE2 3.6Å; R202-F265 HydrophobicContact CG-CZ 3.75Å; I261-F265 PolarHBondContact O-N 3.41Å; R262-F265 WeakPolarHBondContact O-CB 3.48Å; R262-F265 PolarHBondContact O-N 3.4Å; A263-F265 VanDerWaalsContact C-N 3.31Å; A263-F265 PolarHBondContact O-N 3.17Å; F265-E267 VanDerWaalsContact C-N 3.27Å; F265-E267 PolarHBondContact O-N 3.36Å; F265-K268 PolarHBondContact O-N 2.89Å; F265-E269 HydrophobicContact CE1-CB 4.47Å; F265-E269 HydrophobicContact CZ-CB 4.3Å; F265-E269 WeakPolarHBondContact CZ-OE1 3.31Å; F265-E269 PolarHBondContact O-N 3.16Å |
| 266 | L | 95.3 | Very high | 96 | Very high | 69 Ų | 69 | 61.5 Ų | 61.5 | 36% | 0.361 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.5 | -32.5 | -179.5 | -70.2 | 172.5 | 0 | 0 | 0 | 112.1 | R262 A263 N270 | R262-L266 HydrophobicContact CG-CD1 4.14Å; R262-L266 HydrophobicContact CG-CG 4.37Å; R262-L266 WeakPolarHBondContact O-CG 3.3Å; R262-L266 PolarHBondContact O-N 3.32Å; A263-L266 PolarHBondContact O-N 3.27Å; A263-L266 VanDerWaalsContact O-N 3.15Å; L266-N270 WeakPolarHBondContact O-CB 3.33Å; L266-N270 PolarHBondContact O-N 3.25Å |
| 267 | E | 96.1 | Very high | 96 | Very high | 136 Ų | 136 | 59.5 Ų | 59.5 | 64% | 0.636 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -63 | -47.2 | 173.7 | -76 | 171 | -179.3 | 0 | 0 | 111.7 | A263 F265 N270 A271 | A263-E267 WeakPolarHBondContact O-CG 3.29Å; A263-E267 PolarHBondContact O-N 2.9Å; F265-E267 VanDerWaalsContact C-N 3.27Å; F265-E267 PolarHBondContact O-N 3.36Å; E267-N270 PolarHBondContact O-N 3.03Å; E267-A271 WeakPolarHBondContact O-CB 3.42Å; E267-A271 PolarHBondContact O-N 3.48Å |
| 268 | K | 95.3 | Very high | 96 | Very high | 94 Ų | 94 | 60.1 Ų | 60.1 | 41% | 0.409 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.5 | -42.3 | 176.2 | -66.6 | -157.4 | -164.6 | 166 | 0 | 112 | V179 Y181 G264 F265 A271 A272 | V179-K268 HydrophobicContact CG1-CB 3.62Å; Y181-K268 HydrophobicContact CD2-CB 4.45Å; Y181-K268 HydrophobicContact CD2-CD 3.61Å; Y181-K268 HydrophobicContact CD2-CG 3.97Å; Y181-K268 HydrophobicContact CE2-CD 4.46Å; Y181-K268 HydrophobicContact CG-CD 4.47Å; G264-K268 PolarHBondContact O-N 3.24Å; F265-K268 PolarHBondContact O-N 2.89Å; K268-A271 PolarHBondContact O-N 3.14Å; K268-A272 PolarHBondContact O-N 2.91Å |
| 269 | E | 94.9 | Very high | 96 | Very high | 43 Ų | 43 | 62.5 Ų | 62.5 | 20% | 0.201 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64 | -43.7 | 177.6 | -176.1 | 178.4 | -114.8 | 0 | 0 | 112 | V179 F265 A271 A272 L273 | V179-E269 HydrophobicContact CG2-CB 3.99Å; V179-E269 HydrophobicContact CG2-CG 4.19Å; F265-E269 HydrophobicContact CE1-CB 4.47Å; F265-E269 HydrophobicContact CZ-CB 4.3Å; F265-E269 WeakPolarHBondContact CZ-OE1 3.31Å; F265-E269 PolarHBondContact O-N 3.16Å; E269-A271 VanDerWaalsContact C-N 3.34Å; E269-A271 PolarHBondContact O-N 3.16Å; E269-A272 PolarHBondContact O-N 3.35Å; E269-L273 HydrophobicContact CG-CD1 4.17Å; E269-L273 WeakPolarHBondContact O-CB 3.49Å; E269-L273 WeakPolarHBondContact O-CG 3.32Å; E269-L273 PolarHBondContact O-N 3.38Å |
| 270 | N | 95.8 | Very high | 96 | Very high | 72 Ų | 72 | 65 Ų | 65 | 39% | 0.385 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.6 | -38 | 176.7 | -162.6 | -38.3 | 0 | 0 | 0 | 111.5 | L266 E267 L273 R274 | L266-N270 WeakPolarHBondContact O-CB 3.33Å; L266-N270 PolarHBondContact O-N 3.25Å; E267-N270 PolarHBondContact O-N 3.03Å; N270-L273 PolarHBondContact O-N 3.22Å; N270-R274 VanDerWaalsContact O-CG 3.3Å; N270-R274 WeakPolarHBondContact O-CG 3.49Å; N270-R274 PolarHBondContact O-N 3.16Å; N270-R274 PolarHBondContact OD1-NE 2.76Å; N270-R274 PolarHBondContact OD1-NH1 2.96Å; N270-R274 PolarHBondContact OD1-NH2 3.09Å |
| 271 | A | 95.9 | Very high | 96 | Very high | 50 Ų | 50 | 71 Ų | 71 | 41% | 0.413 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.2 | -45.7 | 172 | 0 | 0 | 0 | 0 | 0 | 111.8 | E267 K268 E269 R274 V275 | E267-A271 WeakPolarHBondContact O-CB 3.42Å; E267-A271 PolarHBondContact O-N 3.48Å; K268-A271 PolarHBondContact O-N 3.14Å; E269-A271 VanDerWaalsContact C-N 3.34Å; E269-A271 PolarHBondContact O-N 3.16Å; A271-R274 PolarHBondContact O-N 3.16Å; A271-V275 PolarHBondContact O-N 3.35Å |
| 272 | A | 95.3 | Very high | 96.1 | Very high | 27 Ų | 27 | 77.2 Ų | 77.2 | 22% | 0.223 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V177 V179 K268 E269 R274 V275 E276 | V177-A272 HydrophobicContact CG1-CB 3.62Å; V179-A272 HydrophobicContact CG2-CB 3.91Å; K268-A272 PolarHBondContact O-N 2.91Å; E269-A272 PolarHBondContact O-N 3.35Å; A272-R274 VanDerWaalsContact C-N 3.3Å; A272-R274 PolarHBondContact O-N 3.39Å; A272-V275 WeakPolarHBondContact O-CB 3.44Å; A272-V275 PolarHBondContact O-N 2.77Å; A272-V275 VanDerWaalsContact O-N 3.14Å; A272-E276 PolarHBondContact O-N 3.11Å |
| 273 | L | 95.4 | Very high | 96.2 | Very high | 64 Ų | 64 | 79.1 Ų | 79.1 | 34% | 0.335 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58.8 | -39.4 | 174 | -79.2 | 165.4 | 0 | 0 | 0 | 112.4 | V177 E269 N270 V275 E276 V277 | V177-L273 HydrophobicContact CG2-CD2 3.3Å; V177-L273 HydrophobicContact CG2-CG 3.65Å; E269-L273 HydrophobicContact CG-CD1 4.17Å; E269-L273 WeakPolarHBondContact O-CB 3.49Å; E269-L273 WeakPolarHBondContact O-CG 3.32Å; E269-L273 PolarHBondContact O-N 3.38Å; N270-L273 PolarHBondContact O-N 3.22Å; L273-V275 VanDerWaalsContact C-N 3.31Å; L273-V275 PolarHBondContact O-N 2.88Å; L273-E276 PolarHBondContact O-N 3.39Å; L273-V277 WeakPolarHBondContact O-CB 3.36Å; L273-V277 VanDerWaalsContact O-CG2 3.28Å; L273-V277 WeakPolarHBondContact O-CG2 3.49Å; L273-V277 PolarHBondContact O-N 3.22Å |
| 274 | R | 96.1 | Very high | 96.2 | Very high | 160 Ų | 160 | 82 Ų | 82 | 60% | 0.604 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -63.5 | -37.8 | 176.5 | -74.8 | 179.4 | -174.2 | 108.4 | -2.3 | 112.1 | N270 A271 A272 A278 | N270-R274 VanDerWaalsContact O-CG 3.3Å; N270-R274 WeakPolarHBondContact O-CG 3.49Å; N270-R274 PolarHBondContact O-N 3.16Å; N270-R274 PolarHBondContact OD1-NE 2.76Å; N270-R274 PolarHBondContact OD1-NH1 2.96Å; N270-R274 PolarHBondContact OD1-NH2 3.09Å; A271-R274 PolarHBondContact O-N 3.16Å; A272-R274 VanDerWaalsContact C-N 3.3Å; A272-R274 PolarHBondContact O-N 3.39Å; R274-A278 WeakPolarHBondContact O-CB 3.34Å; R274-A278 PolarHBondContact O-N 3.34Å; R274-A278 VanDerWaalsContact O-N 3.08Å |
| 275 | V | 96.1 | Very high | 96.3 | Very high | 86 Ų | 86 | 82.5 Ų | 82.5 | 52% | 0.521 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.3 | -49.6 | 174.3 | 175.8 | 0 | 0 | 0 | 0 | 110.2 | A271 A272 L273 V277 A278 D279 | A271-V275 PolarHBondContact O-N 3.35Å; A272-V275 WeakPolarHBondContact O-CB 3.44Å; A272-V275 PolarHBondContact O-N 2.77Å; A272-V275 VanDerWaalsContact O-N 3.14Å; L273-V275 VanDerWaalsContact C-N 3.31Å; L273-V275 PolarHBondContact O-N 2.88Å; V275-V277 VanDerWaalsContact C-N 3.31Å; V275-V277 PolarHBondContact O-N 3.11Å; V275-A278 WeakPolarHBondContact O-CA 3.35Å; V275-A278 WeakPolarHBondContact O-CB 3.14Å; V275-A278 PolarHBondContact O-N 3.28Å; V275-D279 PolarHBondContact O-N 2.93Å |
| 276 | E | 95.1 | Very high | 96.4 | Very high | 97 Ų | 97 | 87.6 Ų | 87.6 | 45% | 0.453 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -57.2 | -43.8 | 178.6 | -170.6 | 65.9 | -164.1 | 0 | 0 | 111.8 | A272 L273 A278 D279 L280 | A272-E276 PolarHBondContact O-N 3.11Å; L273-E276 PolarHBondContact O-N 3.39Å; E276-A278 VanDerWaalsContact C-N 3.33Å; E276-A278 PolarHBondContact O-N 3.49Å; E276-D279 PolarHBondContact O-N 2.99Å; E276-L280 HydrophobicContact CG-CD1 4.25Å; E276-L280 WeakPolarHBondContact O-CB 3.29Å; E276-L280 VanDerWaalsContact O-CG 3.29Å; E276-L280 WeakPolarHBondContact O-CG 3.48Å; E276-L280 PolarHBondContact O-N 2.94Å |
| 277 | V | 96.1 | Very high | 96.5 | Very high | 63 Ų | 63 | 87.5 Ų | 87.5 | 38% | 0.382 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.5 | -38.1 | 175.9 | 168.8 | 0 | 0 | 0 | 0 | 111.8 | L273 V275 R281 | L273-V277 WeakPolarHBondContact O-CB 3.36Å; L273-V277 VanDerWaalsContact O-CG2 3.28Å; L273-V277 WeakPolarHBondContact O-CG2 3.49Å; L273-V277 PolarHBondContact O-N 3.22Å; V275-V277 VanDerWaalsContact C-N 3.31Å; V275-V277 PolarHBondContact O-N 3.11Å; V277-R281 WeakPolarHBondContact O-CB 3.39Å; V277-R281 VanDerWaalsContact O-CG 3.22Å; V277-R281 WeakPolarHBondContact O-CG 3.26Å; V277-R281 PolarHBondContact O-N 3.22Å |
| 278 | A | 97.7 | Very high | 96.5 | Very high | 54 Ų | 54 | 87.2 Ų | 87.2 | 45% | 0.446 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.8 | -42.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | R274 V275 E276 R281 K282 | R274-A278 WeakPolarHBondContact O-CB 3.34Å; R274-A278 PolarHBondContact O-N 3.34Å; R274-A278 VanDerWaalsContact O-N 3.08Å; V275-A278 WeakPolarHBondContact O-CA 3.35Å; V275-A278 WeakPolarHBondContact O-CB 3.14Å; V275-A278 PolarHBondContact O-N 3.28Å; E276-A278 VanDerWaalsContact C-N 3.33Å; E276-A278 PolarHBondContact O-N 3.49Å; A278-R281 PolarHBondContact O-N 3.18Å; A278-K282 PolarHBondContact O-N 3.32Å |
| 279 | D | 96.8 | Very high | 96.6 | Very high | 79 Ų | 79 | 87.6 Ų | 87.6 | 42% | 0.422 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.8 | -46.2 | 177.8 | -73.4 | -23.4 | 0 | 0 | 0 | 111.5 | V275 E276 R281 K282 E283 | V275-D279 PolarHBondContact O-N 2.93Å; E276-D279 PolarHBondContact O-N 2.99Å; D279-R281 VanDerWaalsContact C-N 3.3Å; D279-R281 PolarHBondContact O-N 3.41Å; D279-K282 WeakPolarHBondContact O-CA 3.31Å; D279-K282 WeakPolarHBondContact O-CB 3.26Å; D279-K282 PolarHBondContact O-N 2.87Å; D279-E283 WeakPolarHBondContact O-CG 3.26Å; D279-E283 PolarHBondContact O-N 3.29Å |
| 280 | L | 96.3 | Very high | 96.7 | Very high | 103 Ų | 103 | 90.8 Ų | 90.8 | 54% | 0.539 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59 | -40.3 | 174.7 | -71.4 | 173.3 | 0 | 0 | 0 | 112.4 | E276 K282 E283 L284 | E276-L280 HydrophobicContact CG-CD1 4.25Å; E276-L280 WeakPolarHBondContact O-CB 3.29Å; E276-L280 VanDerWaalsContact O-CG 3.29Å; E276-L280 WeakPolarHBondContact O-CG 3.48Å; E276-L280 PolarHBondContact O-N 2.94Å; L280-K282 VanDerWaalsContact C-N 3.33Å; L280-K282 PolarHBondContact O-N 3.07Å; L280-E283 PolarHBondContact O-N 2.6Å; L280-L284 VanDerWaalsContact O-CB 3.27Å; L280-L284 WeakPolarHBondContact O-CB 3.46Å; L280-L284 PolarHBondContact O-N 3.23Å |
| 281 | R | 97.9 | Very high | 96.7 | Very high | 186 Ų | 186 | 91.5 Ų | 91.5 | 70% | 0.702 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -63.7 | -39 | 174.9 | -77.1 | 173 | 177.8 | 174.5 | 1 | 111.9 | V277 A278 D279 G285 | V277-R281 WeakPolarHBondContact O-CB 3.39Å; V277-R281 VanDerWaalsContact O-CG 3.22Å; V277-R281 WeakPolarHBondContact O-CG 3.26Å; V277-R281 PolarHBondContact O-N 3.22Å; A278-R281 PolarHBondContact O-N 3.18Å; D279-R281 VanDerWaalsContact C-N 3.3Å; D279-R281 PolarHBondContact O-N 3.41Å; R281-G285 PolarHBondContact O-N 2.95Å |
| 282 | K | 98.2 | Very high | 96.6 | Very high | 137 Ų | 137 | 91.6 Ų | 91.6 | 60% | 0.596 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -65 | -48.3 | 175.7 | -177 | -176.8 | 177.7 | -175.3 | 0 | 111.1 | A278 D279 L280 L284 G285 R286 | A278-K282 PolarHBondContact O-N 3.32Å; D279-K282 WeakPolarHBondContact O-CA 3.31Å; D279-K282 WeakPolarHBondContact O-CB 3.26Å; D279-K282 PolarHBondContact O-N 2.87Å; L280-K282 VanDerWaalsContact C-N 3.33Å; L280-K282 PolarHBondContact O-N 3.07Å; K282-L284 PolarHBondContact O-N 3.27Å; K282-G285 PolarHBondContact O-N 3.02Å; K282-R286 WeakPolarHBondContact O-CG 3.45Å; K282-R286 PolarHBondContact O-N 3.27Å |
| 283 | E | 97.7 | Very high | 96.6 | Very high | 75 Ų | 75 | 97 Ų | 97 | 35% | 0.35 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.9 | -47.1 | 176.5 | -67.9 | -54 | 119.5 | 0 | 0 | 111.8 | D279 L280 G285 R286 C287 | D279-E283 WeakPolarHBondContact O-CG 3.26Å; D279-E283 PolarHBondContact O-N 3.29Å; L280-E283 PolarHBondContact O-N 2.6Å; E283-G285 VanDerWaalsContact C-N 3.31Å; E283-G285 PolarHBondContact O-N 2.9Å; E283-R286 WeakPolarHBondContact O-CA 3.49Å; E283-R286 WeakPolarHBondContact O-CB 3.36Å; E283-R286 PolarHBondContact O-N 2.82Å; E283-R286 IonicContact OE1-CZ 2.81Å; E283-R286 IonicContact OE1-NE 3.08Å; E283-R286 PolarHBondContact OE1-NE 3.36Å; E283-R286 VanDerWaalsContact OE1-NE 3.08Å; E283-R286 IonicContact OE1-NH1 2.61Å; E283-R286 PolarHBondContact OE1-NH1 2.92Å; E283-R286 IonicContact OE1-NH2 3.46Å; E283-R286 PolarHBondContact OE1-NH2 3.43Å; E283-R286 IonicContact OE2-CZ 2.88Å; E283-R286 IonicContact OE2-NE 3.65Å; E283-R286 IonicContact OE2-NH1 3.03Å; E283-R286 PolarHBondContact OE2-NH1 2.93Å; E283-R286 IonicContact OE2-NH2 2.6Å; E283-R286 PolarHBondContact OE2-NH2 3.03Å; E283-C287 PolarHBondContact O-N 3.33Å; E283-C287 PolarHBondContact O-SG 2.98Å; E283-C287 VanDerWaalsContact O-SG 3.4Å |
| 284 | L | 97.6 | Very high | 96.7 | Very high | 100 Ų | 100 | 98.8 Ų | 98.8 | 52% | 0.524 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.2 | -39.4 | 177.4 | -175 | 130.7 | 0 | 0 | 0 | 111.9 | L280 K282 C287 K288 | L280-L284 VanDerWaalsContact O-CB 3.27Å; L280-L284 WeakPolarHBondContact O-CB 3.46Å; L280-L284 PolarHBondContact O-N 3.23Å; K282-L284 PolarHBondContact O-N 3.27Å; L284-C287 PolarHBondContact O-N 3.33Å; L284-K288 HydrophobicContact CD2-CD 3.89Å; L284-K288 VanDerWaalsContact CD2-CE 3.45Å; L284-K288 WeakPolarHBondContact O-CB 3.42Å; L284-K288 WeakPolarHBondContact O-CG 3.39Å; L284-K288 PolarHBondContact O-N 3.41Å |
| 285 | G | 97.8 | Very high | 96.6 | Very high | 25 Ų | 25 | 95.4 Ų | 95.4 | 26% | 0.258 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.5 | -42.8 | 171 | 0 | 0 | 0 | 0 | 0 | 112.5 | R281 K282 E283 K288 N289 | R281-G285 PolarHBondContact O-N 2.95Å; K282-G285 PolarHBondContact O-N 3.02Å; E283-G285 VanDerWaalsContact C-N 3.31Å; E283-G285 PolarHBondContact O-N 2.9Å; G285-K288 PolarHBondContact O-N 3.46Å; G285-N289 WeakPolarHBondContact O-CB 3.43Å; G285-N289 VanDerWaalsContact O-CG 3.24Å; G285-N289 PolarHBondContact O-N 3.39Å; G285-N289 PolarHBondContact O-ND2 3.21Å |
| 286 | R | 97.6 | Very high | 96.5 | Very high | 120 Ų | 120 | 95.5 Ų | 95.5 | 45% | 0.453 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.7 | -47.1 | 174.8 | -68.9 | -165.4 | -75.5 | 120.2 | 122.7 | 111.7 | K282 E283 K288 N289 I290 | K282-R286 WeakPolarHBondContact O-CG 3.45Å; K282-R286 PolarHBondContact O-N 3.27Å; E283-R286 WeakPolarHBondContact O-CA 3.49Å; E283-R286 WeakPolarHBondContact O-CB 3.36Å; E283-R286 PolarHBondContact O-N 2.82Å; E283-R286 IonicContact OE1-CZ 2.81Å; E283-R286 IonicContact OE1-NE 3.08Å; E283-R286 PolarHBondContact OE1-NE 3.36Å; E283-R286 VanDerWaalsContact OE1-NE 3.08Å; E283-R286 IonicContact OE1-NH1 2.61Å; E283-R286 PolarHBondContact OE1-NH1 2.92Å; E283-R286 IonicContact OE1-NH2 3.46Å; E283-R286 PolarHBondContact OE1-NH2 3.43Å; E283-R286 IonicContact OE2-CZ 2.88Å; E283-R286 IonicContact OE2-NE 3.65Å; E283-R286 IonicContact OE2-NH1 3.03Å; E283-R286 PolarHBondContact OE2-NH1 2.93Å; E283-R286 IonicContact OE2-NH2 2.6Å; E283-R286 PolarHBondContact OE2-NH2 3.03Å; R286-K288 PolarHBondContact O-N 3.43Å; R286-N289 PolarHBondContact O-N 3.01Å; R286-I290 WeakPolarHBondContact O-CG1 3.41Å; R286-I290 PolarHBondContact O-N 3.06Å |
| 287 | C | 97.1 | Very high | 96.6 | Very high | 66 Ų | 66 | 99.7 Ų | 99.7 | 45% | 0.446 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.9 | -45.6 | 177.6 | -68 | 0 | 0 | 0 | 0 | 111.9 | E283 L284 N289 I290 L291 | E283-C287 PolarHBondContact O-N 3.33Å; E283-C287 PolarHBondContact O-SG 2.98Å; E283-C287 VanDerWaalsContact O-SG 3.4Å; L284-C287 PolarHBondContact O-N 3.33Å; C287-N289 VanDerWaalsContact C-N 3.32Å; C287-N289 PolarHBondContact O-N 3.05Å; C287-I290 PolarHBondContact O-N 3.12Å; C287-I290 VanDerWaalsContact O-N 3.15Å; C287-L291 WeakPolarHBondContact O-CG 3.34Å; C287-L291 PolarHBondContact O-N 2.83Å |
| 288 | K | 96.5 | Very high | 96.5 | Very high | 130 Ų | 130 | 102.4 Ų | 102.4 | 57% | 0.565 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -58 | -43.3 | 174.7 | -77.1 | 178.5 | 173.6 | 179.8 | 0 | 112.3 | L284 G285 R286 I290 L291 A292 | L284-K288 HydrophobicContact CD2-CD 3.89Å; L284-K288 VanDerWaalsContact CD2-CE 3.45Å; L284-K288 WeakPolarHBondContact O-CB 3.42Å; L284-K288 WeakPolarHBondContact O-CG 3.39Å; L284-K288 PolarHBondContact O-N 3.41Å; G285-K288 PolarHBondContact O-N 3.46Å; R286-K288 PolarHBondContact O-N 3.43Å; K288-I290 VanDerWaalsContact C-N 3.33Å; K288-I290 PolarHBondContact O-N 3.46Å; K288-L291 PolarHBondContact O-N 3.41Å; K288-A292 WeakPolarHBondContact O-CB 3.47Å; K288-A292 PolarHBondContact O-N 3.46Å |
| 289 | N | 97 | Very high | 96.1 | Very high | 103 Ų | 103 | 101.2 Ų | 101.2 | 55% | 0.551 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.3 | -37.4 | 176.9 | -73.4 | -28.1 | 0 | 0 | 0 | 112.4 | G285 R286 C287 K293 | G285-N289 WeakPolarHBondContact O-CB 3.43Å; G285-N289 VanDerWaalsContact O-CG 3.24Å; G285-N289 PolarHBondContact O-N 3.39Å; G285-N289 PolarHBondContact O-ND2 3.21Å; R286-N289 PolarHBondContact O-N 3.01Å; C287-N289 VanDerWaalsContact C-N 3.32Å; C287-N289 PolarHBondContact O-N 3.05Å; N289-K293 VanDerWaalsContact O-CG 3.29Å; N289-K293 WeakPolarHBondContact O-CG 3.33Å; N289-K293 PolarHBondContact O-N 3.07Å; N289-K293 VanDerWaalsContact O-N 3.11Å |
| 290 | I | 96.2 | Very high | 95.6 | Very high | 110 Ų | 110 | 103.2 Ų | 103.2 | 56% | 0.564 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.2 | -46.3 | 175.6 | -68.2 | 165.6 | 0 | 0 | 0 | 110.3 | R286 C287 K288 K293 Y294 | R286-I290 WeakPolarHBondContact O-CG1 3.41Å; R286-I290 PolarHBondContact O-N 3.06Å; C287-I290 PolarHBondContact O-N 3.12Å; C287-I290 VanDerWaalsContact O-N 3.15Å; K288-I290 VanDerWaalsContact C-N 3.33Å; K288-I290 PolarHBondContact O-N 3.46Å; I290-K293 PolarHBondContact O-N 3.28Å; I290-Y294 PolarHBondContact O-N 3.35Å |
| 291 | L | 95.3 | Very high | 94.2 | Very high | 86 Ų | 86 | 106.3 Ų | 106.3 | 45% | 0.45 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60 | -47.1 | 177.2 | -71.5 | 172.5 | 0 | 0 | 0 | 111.5 | C287 K288 K293 Y294 E295 L301 | C287-L291 WeakPolarHBondContact O-CG 3.34Å; C287-L291 PolarHBondContact O-N 2.83Å; K288-L291 PolarHBondContact O-N 3.41Å; L291-K293 VanDerWaalsContact C-N 3.31Å; L291-K293 PolarHBondContact O-N 3Å; L291-Y294 WeakPolarHBondContact O-CA 3.44Å; L291-Y294 WeakPolarHBondContact O-CB 3.48Å; L291-Y294 PolarHBondContact O-N 3.47Å; L291-E295 WeakPolarHBondContact O-CG 3.35Å; L291-E295 PolarHBondContact O-N 3.35Å; L291-L301 HydrophobicContact CD2-CD1 4.15Å |
| 292 | A | 95.1 | Very high | 94.1 | Very high | 52 Ų | 52 | 102.3 Ų | 102.3 | 43% | 0.43 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.1 | -40.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K288 Y294 A296 | K288-A292 WeakPolarHBondContact O-CB 3.47Å; K288-A292 PolarHBondContact O-N 3.46Å; A292-Y294 VanDerWaalsContact C-N 3.32Å; A292-Y294 PolarHBondContact O-N 3.46Å; A292-A296 VanDerWaalsContact O-CB 3.28Å; A292-A296 WeakPolarHBondContact O-CB 3.5Å; A292-A296 PolarHBondContact O-N 2.92Å |
| 293 | K | 95.5 | Very high | 93.8 | Very high | 141 Ų | 141 | 100.5 Ų | 100.5 | 61% | 0.613 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -69 | -28.2 | 174.9 | -74.1 | 176.1 | -178.3 | -177.1 | 0 | 113.3 | N289 I290 L291 R297 | N289-K293 VanDerWaalsContact O-CG 3.29Å; N289-K293 WeakPolarHBondContact O-CG 3.33Å; N289-K293 PolarHBondContact O-N 3.07Å; N289-K293 VanDerWaalsContact O-N 3.11Å; I290-K293 PolarHBondContact O-N 3.28Å; L291-K293 VanDerWaalsContact C-N 3.31Å; L291-K293 PolarHBondContact O-N 3Å; K293-R297 PolarHBondContact O-NE 3.38Å; K293-R297 VanDerWaalsContact O-NE 3.13Å |
| 294 | Y | 96 | Very high | 93.6 | Very high | 101 Ų | 101 | 101.9 Ų | 101.9 | 40% | 0.396 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -74.2 | -51.4 | 174.8 | -179.6 | -89.1 | 0 | 0 | 0 | 110.1 | I290 L291 A292 A296 R297 H298 L301 | I290-Y294 PolarHBondContact O-N 3.35Å; L291-Y294 WeakPolarHBondContact O-CA 3.44Å; L291-Y294 WeakPolarHBondContact O-CB 3.48Å; L291-Y294 PolarHBondContact O-N 3.47Å; A292-Y294 VanDerWaalsContact C-N 3.32Å; A292-Y294 PolarHBondContact O-N 3.46Å; Y294-A296 VanDerWaalsContact C-N 3.29Å; Y294-A296 PolarHBondContact O-N 3.07Å; Y294-R297 PolarHBondContact O-N 2.73Å; Y294-H298 HydrophobicContact CD1-CB 4.48Å; Y294-H298 AromaticContact CD2-CD2 3.51Å; Y294-H298 HydrophobicContact CE1-CB 4.02Å; Y294-H298 HydrophobicContact CE2-CB 4.5Å; Y294-H298 AromaticContact CE2-CD2 3.41Å; Y294-H298 VanDerWaalsContact CE2-CD2 3.41Å; Y294-H298 WeakPolarHBondContact CE2-CD2 3.34Å; Y294-H298 AromaticContact CZ-CD2 3.84Å; Y294-H298 PolarHBondContact O-CD2 3.35Å; Y294-H298 PolarHBondContact O-N 3.19Å; Y294-L301 HydrophobicContact CD1-CD1 4.37Å; Y294-L301 HydrophobicContact CD1-CD2 4.29Å; Y294-L301 HydrophobicContact CD1-CG 4.21Å; Y294-L301 HydrophobicContact CE1-CD2 3.68Å; Y294-L301 HydrophobicContact CE1-CG 4.04Å |
| 295 | E | 95.4 | Very high | 93.4 | Very high | 89 Ų | 89 | 102 Ų | 102 | 42% | 0.416 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -57.6 | -41.1 | 178.1 | -71.5 | 175.3 | 169.8 | 0 | 0 | 112 | L291 R297 H298 G299 | L291-E295 WeakPolarHBondContact O-CG 3.35Å; L291-E295 PolarHBondContact O-N 3.35Å; E295-R297 PolarHBondContact O-N 2.82Å; E295-H298 PolarHBondContact O-N 3.05Å; E295-G299 WeakPolarHBondContact CA-O 3.44Å; E295-G299 CarbonylContact O-C 3.41Å; E295-G299 VanDerWaalsContact O-CA 3.26Å; E295-G299 WeakPolarHBondContact O-CA 3.24Å; E295-G299 PolarHBondContact O-N 3.44Å |
| 296 | A | 94.3 | Very high | 93.1 | Very high | 89 Ų | 89 | 106.8 Ų | 106.8 | 74% | 0.736 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.1 | -25.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | A292 Y294 | A292-A296 VanDerWaalsContact O-CB 3.28Å; A292-A296 WeakPolarHBondContact O-CB 3.5Å; A292-A296 PolarHBondContact O-N 2.92Å; Y294-A296 VanDerWaalsContact C-N 3.29Å; Y294-A296 PolarHBondContact O-N 3.07Å |
| 297 | R | 95.7 | Very high | 92.8 | Very high | 185 Ų | 185 | 105.9 Ų | 105.9 | 70% | 0.698 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -95.7 | -33.3 | -179.3 | -75.5 | -172.7 | -72.7 | 172 | 1.6 | 113.5 | K293 Y294 E295 | K293-R297 PolarHBondContact O-NE 3.38Å; K293-R297 VanDerWaalsContact O-NE 3.13Å; Y294-R297 PolarHBondContact O-N 2.73Å; E295-R297 PolarHBondContact O-N 2.82Å |
| 298 | H | 95.3 | Very high | 92.5 | Very high | 120 Ų | 120 | 108.8 Ų | 108.8 | 56% | 0.556 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -116.6 | -1.9 | -169.1 | -60.7 | -70.3 | 0 | 0 | 0 | 113.6 | Y294 E295 | Y294-H298 HydrophobicContact CD1-CB 4.48Å; Y294-H298 AromaticContact CD2-CD2 3.51Å; Y294-H298 HydrophobicContact CE1-CB 4.02Å; Y294-H298 HydrophobicContact CE2-CB 4.5Å; Y294-H298 AromaticContact CE2-CD2 3.41Å; Y294-H298 VanDerWaalsContact CE2-CD2 3.41Å; Y294-H298 WeakPolarHBondContact CE2-CD2 3.34Å; Y294-H298 AromaticContact CZ-CD2 3.84Å; Y294-H298 PolarHBondContact O-CD2 3.35Å; Y294-H298 PolarHBondContact O-N 3.19Å; E295-H298 PolarHBondContact O-N 3.05Å |
| 299 | G | 88.6 | Confident | 92.2 | Very high | 28 Ų | 28 | 107.2 Ų | 107.2 | 29% | 0.289 | 57% | 0.566 | S | S | . | * | trans | 84.2 | 172.5 | -169.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | E295 | E295-G299 WeakPolarHBondContact CA-O 3.44Å; E295-G299 CarbonylContact O-C 3.41Å; E295-G299 VanDerWaalsContact O-CA 3.26Å; E295-G299 WeakPolarHBondContact O-CA 3.24Å; E295-G299 PolarHBondContact O-N 3.44Å | ||
| 300 | P | 86.6 | Confident | 91.8 | Very high | 121 Ų | 121 | 107.5 Ų | 107.5 | 79% | 0.786 | 57% | 0.568 | S | S | * | * | trans | -59.4 | 141.1 | 177.9 | 24.4 | -32 | 0 | 0 | 0 | 111 | ||||
| 301 | L | 67.9 | Low | 91.4 | Very high | 168 Ų | 168 | 107.3 Ų | 107.3 | 88% | 0.88 | 57% | 0.568 | S | S | * | * | trans | -65.7 | 0 | 172.4 | -80.3 | 162.1 | 0 | 0 | 0 | 111.9 | L291 Y294 | L291-L301 HydrophobicContact CD2-CD1 4.15Å; Y294-L301 HydrophobicContact CD1-CD1 4.37Å; Y294-L301 HydrophobicContact CD1-CD2 4.29Å; Y294-L301 HydrophobicContact CD1-CG 4.21Å; Y294-L301 HydrophobicContact CE1-CD2 3.68Å; Y294-L301 HydrophobicContact CE1-CG 4.04Å |
Retrieved 301 of 301 residues in 104.2 ms
(Link to these results)