| 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 | 45.6 | Very low | 51.2 | Low | 238 Ų | 238 | 128.1 Ų | 128.1 | 100% | 1.172 | 84% | 0.838 | S | S | * | * | 0 | 89.4 | 0 | -65.1 | -58 | -166.9 | 0 | 0 | 106.9 | |||||
| 2 | S | 51.2 | Low | 50.5 | Low | 125 Ų | 125 | 124.5 Ų | 124.5 | 87% | 0.874 | 83% | 0.827 | S | S | * | * | trans | -91.6 | 125 | -176.8 | -54.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 3 | V | 52.7 | Low | 50 | Low | 136 Ų | 136 | 128.4 Ų | 128.4 | 82% | 0.824 | 83% | 0.834 | S | S | * | * | trans | -113.1 | 124.2 | 174.5 | -171.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 4 | P | 51.7 | Low | 49.5 | Very low | 121 Ų | 121 | 128.7 Ų | 128.7 | 79% | 0.786 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 148.1 | -175.2 | -8.2 | 25.6 | 0 | 0 | 0 | 112.2 | ||
| 5 | G | 57.8 | Low | 49.2 | Very low | 68 Ų | 68 | 133.8 Ų | 133.8 | 70% | 0.701 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 164 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 6 | P | 55.8 | Low | 49 | Very low | 136 Ų | 136 | 130.9 Ų | 130.9 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 130.2 | -178.9 | 29.6 | -31 | 0 | 0 | 0 | 111.9 | ||
| 7 | S | 47.8 | Very low | 49 | Very low | 112 Ų | 112 | 127.8 Ų | 127.8 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 133 | 172.9 | 47.5 | 0 | 0 | 0 | 0 | 112.5 | ||
| 8 | S | 56.2 | Low | 48.5 | Very low | 115 Ų | 115 | 132.8 Ų | 132.8 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -59 | 144.4 | 164.7 | -52.1 | 0 | 0 | 0 | 0 | 111.7 | ||
| 9 | P | 55.9 | Low | 48.1 | Very low | 126 Ų | 126 | 131.2 Ų | 131.2 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -95.2 | 110.3 | 159.3 | 31 | -20.1 | 0 | 0 | 0 | 109.4 | G11 | P9-G11 PolarHBondContact O-N 3.23Š| ||
| 10 | D | 48.4 | Very low | 48.1 | Very low | 165 Ų | 165 | 133.7 Ų | 133.7 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | trans | -68.6 | 104.2 | 164.1 | -151.8 | 4.4 | 0 | 0 | 0 | 107.6 | A12 | D10-A12 PolarHBondContact O-N 3.27Š| ||
| 11 | G | 40.1 | Very low | 47.4 | Very low | 67 Ų | 67 | 135.7 Ų | 135.7 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | trans | -99.7 | 72.8 | -177 | 0 | 0 | 0 | 0 | 0 | 111 | P9 L13 | P9-G11 PolarHBondContact O-N 3.23Å; G11-L13 PolarHBondContact O-N 3.25Å | ||
| 12 | A | 43.3 | Very low | 47.3 | Very low | 85 Ų | 85 | 129 Ų | 129 | 70% | 0.702 | 78% | 0.784 | S | S | * | * | trans | -64.1 | 101.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | D10 T14 | D10-A12 PolarHBondContact O-N 3.27Å; A12-T14 PolarHBondContact O-N 3.44Å; A12-T14 VanDerWaalsContact O-N 3.07Å | ||
| 13 | L | 43.7 | Very low | 46.6 | Very low | 175 Ų | 175 | 126.8 Ų | 126.8 | 92% | 0.916 | 78% | 0.78 | S | S | * | * | trans | -65.1 | 107.7 | 169.9 | -84.9 | 163.6 | 0 | 0 | 0 | 109.4 | G11 R15 | G11-L13 PolarHBondContact O-N 3.25Å; L13-R15 PolarHBondContact O-N 3.34Å | ||
| 14 | T | 42.7 | Very low | 45.8 | Very low | 133 Ų | 133 | 129.2 Ų | 129.2 | 82% | 0.816 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 116.9 | 172.2 | -36.6 | 0 | 0 | 0 | 0 | 109.1 | A12 | A12-T14 PolarHBondContact O-N 3.44Å; A12-T14 VanDerWaalsContact O-N 3.07Å |
| 15 | R | 45.5 | Very low | 45.2 | Very low | 205 Ų | 205 | 128.7 Ų | 128.7 | 77% | 0.774 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 142.9 | 170.9 | 172.6 | -178.3 | 177 | 176.3 | 0 | 111.5 | L13 | L13-R15 PolarHBondContact O-N 3.34Š|
| 16 | P | 45.4 | Very low | 44.1 | Very low | 88 Ų | 88 | 132.2 Ų | 132.2 | 57% | 0.571 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 132.2 | 144.7 | -5 | 24 | 0 | 0 | 0 | 110.2 | Y18 | P16-Y18 HydrophobicContact CB-CE2 4.43Š|
| 17 | P | 48.7 | Very low | 43.6 | Very low | 77 Ų | 77 | 131.7 Ų | 131.7 | 50% | 0.5 | 78% | 0.784 | S | S | . | * | trans | -86 | 114.2 | 173.3 | 32.9 | -25.5 | 0 | 0 | 0 | 108.4 | C19 | P17-C19 PolarHBondContact O-N 2.95Š| ||
| 18 | Y | 40.7 | Very low | 43.1 | Very low | 218 Ų | 218 | 130 Ų | 130 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | trans | -85.7 | 99.7 | 161.3 | -65.8 | -72.3 | 0 | 0 | 0 | 107.4 | P16 | P16-Y18 HydrophobicContact CB-CE2 4.43Š| ||
| 19 | C | 40.5 | Very low | 42.4 | Very low | 102 Ų | 102 | 133 Ų | 133 | 69% | 0.689 | 79% | 0.79 | S | S | * | * | trans | -63.5 | 132.1 | 175.8 | -66.5 | 0 | 0 | 0 | 0 | 110.5 | P17 E21 | P17-C19 PolarHBondContact O-N 2.95Å; C19-E21 PolarHBondContact O-N 3.36Å | ||
| 20 | L | 48.1 | Very low | 41.8 | Very low | 182 Ų | 182 | 132 Ų | 132 | 95% | 0.953 | 79% | 0.786 | S | S | * | * | trans | -66.3 | 107.2 | 152.8 | -75.7 | 150.2 | 0 | 0 | 0 | 107 | ||||
| 21 | E | 33.9 | Very low | 41.8 | Very low | 176 Ų | 176 | 131.1 Ų | 131.1 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | trans | -106.1 | 104.8 | 166.2 | -94 | -88.7 | 143.4 | 0 | 0 | 107.5 | C19 G23 | C19-E21 PolarHBondContact O-N 3.36Å; E21-G23 PolarHBondContact O-N 2.75Å | ||
| 22 | A | 44.1 | Very low | 42.1 | Very low | 98 Ų | 98 | 134.9 Ų | 134.9 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | trans | -73.2 | 110.3 | 163.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 23 | G | 34.8 | Very low | 42.2 | Very low | 77 Ų | 77 | 136.4 Ų | 136.4 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | -85.5 | 110.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | E21 | E21-G23 PolarHBondContact O-N 2.75Š| ||
| 24 | E | 37.5 | Very low | 42.8 | Very low | 187 Ų | 187 | 133.6 Ų | 133.6 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 162.5 | 166.2 | -97.3 | -148.1 | 164.8 | 0 | 0 | 112.6 | ||
| 25 | P | 38.4 | Very low | 42.8 | Very low | 110 Ų | 110 | 134.5 Ų | 134.5 | 71% | 0.714 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -89 | 136.9 | -160.4 | 34.3 | -31.7 | 0 | 0 | 0 | 113.2 | ||
| 26 | T | 35.3 | Very low | 43.5 | Very low | 143 Ų | 143 | 134.1 Ų | 134.1 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 127.2 | 166.7 | 43.5 | 0 | 0 | 0 | 0 | 111.3 | ||
| 27 | P | 43.8 | Very low | 43.5 | Very low | 125 Ų | 125 | 132.2 Ų | 132.2 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -95 | 141.1 | 178.7 | 34 | -29.4 | 0 | 0 | 0 | 113.2 | ||
| 28 | G | 38.1 | Very low | 43.6 | Very low | 75 Ų | 75 | 134.8 Ų | 134.8 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | trans | 91.8 | 100.5 | 144.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 29 | L | 41.8 | Very low | 44.1 | Very low | 180 Ų | 180 | 132.7 Ų | 132.7 | 94% | 0.942 | 80% | 0.802 | S | S | * | * | trans | -137.6 | 119.2 | 139.3 | -90.3 | 168.6 | 0 | 0 | 0 | 108.3 | ||||
| 30 | S | 42.4 | Very low | 44.6 | Very low | 105 Ų | 105 | 133.9 Ų | 133.9 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | trans | -74.2 | 140.3 | -168.8 | 46.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 31 | D | 48.7 | Very low | 44.8 | Very low | 146 Ų | 146 | 131.9 Ų | 131.9 | 78% | 0.781 | 79% | 0.788 | S | S | * | * | trans | 24.8 | 116.4 | 136.7 | -60.8 | -29 | 0 | 0 | 0 | 118.7 | ||||
| 32 | T | 46.6 | Very low | 45.9 | Very low | 146 Ų | 146 | 129.5 Ų | 129.5 | 90% | 0.896 | 78% | 0.78 | S | S | * | * | 179.2 | 110.3 | 118.5 | 34.3 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 33 | S | 45.4 | Very low | 46.7 | Very low | 116 Ų | 116 | 130.6 Ų | 130.6 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | 165.3 | 136.8 | 127.9 | -171.9 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 34 | P | 56.8 | Low | 48.2 | Very low | 116 Ų | 116 | 132.2 Ų | 132.2 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | trans | -91.3 | 133.1 | -168.1 | 35.1 | -28.5 | 0 | 0 | 0 | 111.2 | ||||
| 35 | D | 43.2 | Very low | 50.2 | Low | 152 Ų | 152 | 129.4 Ų | 129.4 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | trans | -146.8 | 92.6 | 149.4 | -160 | 33.1 | 0 | 0 | 0 | 108.5 | G37 | D35-G37 PolarHBondContact O-N 2.99Š| ||
| 36 | E | 58.7 | Low | 52.3 | Low | 198 Ų | 198 | 130.3 Ų | 130.3 | 93% | 0.925 | 75% | 0.752 | S | S | * | * | trans | -58 | 90 | 156.8 | -81.6 | -88 | 170.5 | 0 | 0 | 107.7 | ||||
| 37 | G | 46.8 | Very low | 54.8 | Low | 48 Ų | 48 | 129.4 Ų | 129.4 | 50% | 0.495 | 74% | 0.736 | S | S | . | * | trans | -137.1 | 83 | -177 | 0 | 0 | 0 | 0 | 0 | 111.3 | D35 | D35-G37 PolarHBondContact O-N 2.99Š| ||
| 38 | L | 49.8 | Very low | 57 | Low | 130 Ų | 130 | 125.8 Ų | 125.8 | 68% | 0.681 | 72% | 0.717 | S | S | * | * | trans | 57 | 84.5 | 161.7 | -77 | 114.5 | 0 | 0 | 0 | 116.5 | E40 | L38-E40 HydrophobicContact CB-CB 4.47Å; L38-E40 HydrophobicContact CD2-CB 3.95Å; L38-E40 HydrophobicContact CD2-CG 3.51Å; L38-E40 WeakPolarHBondContact CD2-OE1 3.39Å; L38-E40 PolarHBondContact O-N 3.33Å | ||
| 39 | I | 52.3 | Low | 59.6 | Low | 174 Ų | 174 | 125.9 Ų | 125.9 | 89% | 0.892 | 70% | 0.702 | S | S | * | * | trans | -73.9 | 76.8 | 132.1 | -52.6 | 176.3 | 0 | 0 | 0 | 105 | D41 | I39-D41 PolarHBondContact O-N 3.12Š| ||
| 40 | E | 50.2 | Low | 62 | Low | 128 Ų | 128 | 123.6 Ų | 123.6 | 60% | 0.598 | 69% | 0.686 | S | S | * | * | trans | -54.9 | 112.5 | 155.1 | -127.6 | 158.2 | -144.9 | 0 | 0 | 103.8 | L38 L42 | L38-E40 HydrophobicContact CB-CB 4.47Å; L38-E40 HydrophobicContact CD2-CB 3.95Å; L38-E40 HydrophobicContact CD2-CG 3.51Å; L38-E40 WeakPolarHBondContact CD2-OE1 3.39Å; L38-E40 PolarHBondContact O-N 3.33Å; E40-L42 PolarHBondContact O-N 2.96Å | ||
| 41 | D | 52.9 | Low | 64.5 | Low | 140 Ų | 140 | 124.4 Ų | 124.4 | 75% | 0.749 | 68% | 0.678 | S | S | * | * | trans | -57.9 | 82.5 | 157 | -175 | 47.8 | 0 | 0 | 0 | 104.6 | I39 T43 | I39-D41 PolarHBondContact O-N 3.12Å; D41-T43 PolarHBondContact O-N 3.22Å | ||
| 42 | L | 55.8 | Low | 66.7 | Low | 125 Ų | 125 | 123.9 Ų | 123.9 | 65% | 0.654 | 68% | 0.675 | S | S | * | * | trans | -59.7 | 98.9 | 171.3 | -93.3 | 139.8 | 0 | 0 | 0 | 102.6 | E40 I44 | E40-L42 PolarHBondContact O-N 2.96Å; L42-I44 HydrophobicContact CB-CG1 4.19Å; L42-I44 PolarHBondContact O-N 3.11Å | ||
| 43 | T | 62.5 | Low | 69 | Low | 121 Ų | 121 | 119.1 Ų | 119.1 | 74% | 0.742 | 65% | 0.65 | S | S | * | * | trans | -62.7 | 78.8 | 160.4 | 44.8 | 0 | 0 | 0 | 0 | 105.2 | D41 E45 | D41-T43 PolarHBondContact O-N 3.22Å; T43-E45 PolarHBondContact O-N 3.22Å | ||
| 44 | I | 65.7 | Low | 71.5 | Confident | 112 Ų | 112 | 120 Ų | 120 | 57% | 0.574 | 64% | 0.642 | S | S | * | * | trans | -56.7 | 113.5 | 174.8 | -64 | 175 | 0 | 0 | 0 | 103.9 | L42 D46 V49 | L42-I44 HydrophobicContact CB-CG1 4.19Å; L42-I44 PolarHBondContact O-N 3.11Å; I44-D46 PolarHBondContact O-N 3.02Å; I44-V49 HydrophobicContact CG2-CG2 3.21Å | ||
| 45 | E | 78.1 | Confident | 73.4 | Confident | 128 Ų | 128 | 116.3 Ų | 116.3 | 60% | 0.598 | 62% | 0.624 | S | S | * | * | trans | -64.2 | 111.5 | 178.9 | -163.1 | 178 | -176.2 | 0 | 0 | 106.2 | T43 K47 A48 V49 | T43-E45 PolarHBondContact O-N 3.22Å; E45-K47 HydrophobicContact CG-CB 4.09Å; E45-K47 PolarHBondContact O-N 3.45Å; E45-A48 HydrophobicContact CB-CB 4.26Å; E45-A48 WeakPolarHBondContact O-CA 3.42Å; E45-A48 WeakPolarHBondContact O-CB 3.47Å; E45-A48 PolarHBondContact O-N 3.1Å; E45-V49 PolarHBondContact O-N 3.32Å | ||
| 46 | D | 84.5 | Confident | 75.9 | Confident | 128 Ų | 128 | 114 Ų | 114 | 68% | 0.684 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -49.3 | -34.1 | -178.2 | -76 | -29.3 | 0 | 0 | 0 | 111.3 | I44 A48 V49 E50 | I44-D46 PolarHBondContact O-N 3.02Å; D46-A48 PolarHBondContact O-N 3.38Å; D46-V49 PolarHBondContact O-N 3.15Å; D46-E50 WeakPolarHBondContact O-CG 3.41Å; D46-E50 PolarHBondContact O-N 3.43Å |
| 47 | K | 87.7 | Confident | 77.7 | Confident | 124 Ų | 124 | 109.5 Ų | 109.5 | 54% | 0.539 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -60.8 | -38.3 | 174.6 | -167.6 | 177.8 | -179.2 | -176.2 | 0 | 114.1 | E45 Q51 | E45-K47 HydrophobicContact CG-CB 4.09Å; E45-K47 PolarHBondContact O-N 3.45Å; K47-Q51 WeakPolarHBondContact O-CB 3.5Å; K47-Q51 VanDerWaalsContact O-CG 3.26Å; K47-Q51 WeakPolarHBondContact O-CG 3.45Å; K47-Q51 PolarHBondContact O-N 3.37Å |
| 48 | A | 89.1 | Confident | 80.1 | Confident | 50 Ų | 50 | 111 Ų | 111 | 41% | 0.413 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -69.7 | -36.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | E45 D46 L52 | E45-A48 HydrophobicContact CB-CB 4.26Å; E45-A48 WeakPolarHBondContact O-CA 3.42Å; E45-A48 WeakPolarHBondContact O-CB 3.47Å; E45-A48 PolarHBondContact O-N 3.1Å; D46-A48 PolarHBondContact O-N 3.38Å; A48-L52 WeakPolarHBondContact O-CB 3.37Å; A48-L52 PolarHBondContact O-N 3.26Å |
| 49 | V | 91.9 | Very high | 82.4 | Confident | 76 Ų | 76 | 110.5 Ų | 110.5 | 46% | 0.461 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -67.3 | -45.9 | 174.5 | -179.1 | 0 | 0 | 0 | 0 | 110.7 | I44 E45 D46 Q51 L52 A53 | I44-V49 HydrophobicContact CG2-CG2 3.21Å; E45-V49 PolarHBondContact O-N 3.32Å; D46-V49 PolarHBondContact O-N 3.15Å; V49-Q51 PolarHBondContact O-N 3.15Å; V49-L52 PolarHBondContact O-N 3.26Å; V49-A53 VanDerWaalsContact O-CB 3.27Å; V49-A53 WeakPolarHBondContact O-CB 3.42Å; V49-A53 PolarHBondContact O-N 2.93Å |
| 50 | E | 93.9 | Very high | 84.5 | Confident | 133 Ų | 133 | 108.3 Ų | 108.3 | 62% | 0.621 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -58.8 | -47 | 176.8 | -75.1 | 176.8 | 174.1 | 0 | 0 | 111.6 | D46 L52 A53 E54 | D46-E50 WeakPolarHBondContact O-CG 3.41Å; D46-E50 PolarHBondContact O-N 3.43Å; E50-L52 PolarHBondContact O-N 2.98Å; E50-A53 PolarHBondContact O-N 3.27Å; E50-E54 VanDerWaalsContact O-CB 3.27Å; E50-E54 WeakPolarHBondContact O-CB 3.23Å; E50-E54 PolarHBondContact O-N 3.07Å |
| 51 | Q | 94.9 | Very high | 86.8 | Confident | 121 Ų | 121 | 106 Ų | 106 | 57% | 0.565 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.5 | -38.7 | 179.2 | -74.6 | -178.2 | -20.5 | 0 | 0 | 112.9 | K47 V49 G55 | K47-Q51 WeakPolarHBondContact O-CB 3.5Å; K47-Q51 VanDerWaalsContact O-CG 3.26Å; K47-Q51 WeakPolarHBondContact O-CG 3.45Å; K47-Q51 PolarHBondContact O-N 3.37Å; V49-Q51 PolarHBondContact O-N 3.15Å; Q51-G55 PolarHBondContact O-N 3.41Å |
| 52 | L | 94.1 | Very high | 88.9 | Confident | 136 Ų | 136 | 102 Ų | 102 | 71% | 0.712 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -69.1 | -41.5 | 176.2 | -176.2 | 63.2 | 0 | 0 | 0 | 111.4 | A48 V49 E50 G55 L56 | A48-L52 WeakPolarHBondContact O-CB 3.37Å; A48-L52 PolarHBondContact O-N 3.26Å; V49-L52 PolarHBondContact O-N 3.26Å; E50-L52 PolarHBondContact O-N 2.98Å; L52-G55 PolarHBondContact O-N 2.95Å; L52-L56 WeakPolarHBondContact O-CB 3.31Å; L52-L56 PolarHBondContact O-N 3.45Å |
| 53 | A | 95.8 | Very high | 90.9 | Very high | 45 Ų | 45 | 100.1 Ų | 100.1 | 37% | 0.372 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.1 | -42.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V49 E50 L56 L57 | V49-A53 VanDerWaalsContact O-CB 3.27Å; V49-A53 WeakPolarHBondContact O-CB 3.42Å; V49-A53 PolarHBondContact O-N 2.93Å; E50-A53 PolarHBondContact O-N 3.27Å; A53-L56 PolarHBondContact O-N 3.02Å; A53-L57 WeakPolarHBondContact O-CB 2.77Å; A53-L57 VanDerWaalsContact O-CG 3.28Å; A53-L57 WeakPolarHBondContact O-CG 3.43Å; A53-L57 PolarHBondContact O-N 3.29Å |
| 54 | E | 96.4 | Very high | 92.6 | Very high | 135 Ų | 135 | 99.7 Ų | 99.7 | 63% | 0.631 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.7 | -43.8 | 174.9 | -173.6 | 176.9 | -166.9 | 0 | 0 | 111.5 | E50 L56 L57 S58 | E50-E54 VanDerWaalsContact O-CB 3.27Å; E50-E54 WeakPolarHBondContact O-CB 3.23Å; E50-E54 PolarHBondContact O-N 3.07Å; E54-L56 PolarHBondContact O-N 3.49Å; E54-L57 PolarHBondContact O-N 2.96Å; E54-S58 VanDerWaalsContact O-CB 3.24Å; E54-S58 WeakPolarHBondContact O-CB 3.47Å; E54-S58 PolarHBondContact O-N 2.88Å; E54-S58 PolarHBondContact O-OG 2.95Å |
| 55 | G | 96.7 | Very high | 94.1 | Very high | 38 Ų | 38 | 99.2 Ų | 99.2 | 39% | 0.392 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q51 L52 S58 H59 | Q51-G55 PolarHBondContact O-N 3.41Å; L52-G55 PolarHBondContact O-N 2.95Å; G55-S58 WeakPolarHBondContact CA-OG 3.34Å; G55-S58 PolarHBondContact O-OG 3.09Å; G55-H59 WeakPolarHBondContact O-CB 3.37Å; G55-H59 PolarHBondContact O-N 3.34Å |
| 56 | L | 96.5 | Very high | 95.1 | Very high | 105 Ų | 105 | 100.2 Ų | 100.2 | 55% | 0.55 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.4 | -47.2 | 177.4 | -173.7 | 72.8 | 0 | 0 | 0 | 111.7 | L52 A53 E54 H59 Y60 | L52-L56 WeakPolarHBondContact O-CB 3.31Å; L52-L56 PolarHBondContact O-N 3.45Å; A53-L56 PolarHBondContact O-N 3.02Å; E54-L56 PolarHBondContact O-N 3.49Å; L56-H59 PolarHBondContact O-N 3.3Å; L56-Y60 HydrophobicContact CD1-CD2 3.77Å; L56-Y60 HydrophobicContact CD1-CE2 3.8Å; L56-Y60 HydrophobicContact CG-CD2 4.39Å; L56-Y60 WeakPolarHBondContact O-CD2 3.35Å; L56-Y60 PolarHBondContact O-N 3.07Å; L56-Y60 VanDerWaalsContact O-N 3.15Å |
| 57 | L | 96.9 | Very high | 95.7 | Very high | 102 Ų | 102 | 98 Ų | 98 | 53% | 0.534 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.2 | -45.7 | 179.7 | -72.4 | 173.1 | 0 | 0 | 0 | 111.4 | A53 E54 H59 Y60 L61 | A53-L57 WeakPolarHBondContact O-CB 2.77Å; A53-L57 VanDerWaalsContact O-CG 3.28Å; A53-L57 WeakPolarHBondContact O-CG 3.43Å; A53-L57 PolarHBondContact O-N 3.29Å; E54-L57 PolarHBondContact O-N 2.96Å; L57-H59 VanDerWaalsContact C-N 3.26Å; L57-H59 PolarHBondContact O-N 3.25Å; L57-Y60 PolarHBondContact O-N 2.96Å; L57-L61 WeakPolarHBondContact O-CA 3.34Å; L57-L61 WeakPolarHBondContact O-CB 3.29Å; L57-L61 PolarHBondContact O-N 3.39Å |
| 58 | S | 96.8 | Very high | 96.3 | Very high | 79 Ų | 79 | 98.3 Ų | 98.3 | 55% | 0.552 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.2 | -34.3 | 179.9 | 58.4 | 0 | 0 | 0 | 0 | 112.7 | E54 G55 P62 | E54-S58 VanDerWaalsContact O-CB 3.24Å; E54-S58 WeakPolarHBondContact O-CB 3.47Å; E54-S58 PolarHBondContact O-N 2.88Å; E54-S58 PolarHBondContact O-OG 2.95Å; G55-S58 WeakPolarHBondContact CA-OG 3.34Å; G55-S58 PolarHBondContact O-OG 3.09Å; S58-P62 WeakPolarHBondContact O-CD 3.34Å; S58-P62 WeakPolarHBondContact O-CG 3.46Å |
| 59 | H | 96.9 | Very high | 96.7 | Very high | 120 Ų | 120 | 101.2 Ų | 101.2 | 56% | 0.556 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -75.3 | -46.6 | 177.9 | -172.5 | -90.1 | 0 | 0 | 0 | 113.1 | G55 L56 L57 | G55-H59 WeakPolarHBondContact O-CB 3.37Å; G55-H59 PolarHBondContact O-N 3.34Å; L56-H59 PolarHBondContact O-N 3.3Å; L57-H59 VanDerWaalsContact C-N 3.26Å; L57-H59 PolarHBondContact O-N 3.25Å |
| 60 | Y | 97.4 | Very high | 97 | Very high | 129 Ų | 129 | 100.2 Ų | 100.2 | 51% | 0.506 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -99.3 | -31.2 | -169.5 | -70.4 | -73.4 | 0 | 0 | 0 | 114.9 | L56 L57 P62 D63 L64 | L56-Y60 HydrophobicContact CD1-CD2 3.77Å; L56-Y60 HydrophobicContact CD1-CE2 3.8Å; L56-Y60 HydrophobicContact CG-CD2 4.39Å; L56-Y60 WeakPolarHBondContact O-CD2 3.35Å; L56-Y60 PolarHBondContact O-N 3.07Å; L56-Y60 VanDerWaalsContact O-N 3.15Å; L57-Y60 PolarHBondContact O-N 2.96Å; Y60-P62 VanDerWaalsContact C-CD 3.48Å; Y60-D63 PolarHBondContact O-N 3.44Å; Y60-L64 WeakPolarHBondContact O-CD1 2.81Å; Y60-L64 PolarHBondContact O-N 3.42Å |
| 61 | L | 97.4 | Very high | 97.2 | Very high | 78 Ų | 78 | 99 Ų | 99 | 41% | 0.408 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.3 | -42.8 | -175.6 | -174.6 | 63.2 | 0 | 0 | 0 | 113.3 | L57 D63 L64 Q65 | L57-L61 WeakPolarHBondContact O-CA 3.34Å; L57-L61 WeakPolarHBondContact O-CB 3.29Å; L57-L61 PolarHBondContact O-N 3.39Å; L61-D63 PolarHBondContact O-N 3.31Å; L61-L64 PolarHBondContact O-N 3.34Å; L61-Q65 HydrophobicContact CD1-CG 4.18Å; L61-Q65 HydrophobicContact CG-CG 4.36Å; L61-Q65 WeakPolarHBondContact O-CB 3.46Å; L61-Q65 VanDerWaalsContact O-CG 3.28Å; L61-Q65 WeakPolarHBondContact O-CG 3.41Å; L61-Q65 PolarHBondContact O-N 3.08Å |
| 62 | P | 97.8 | Very high | 97.4 | Very high | 57 Ų | 57 | 98.4 Ų | 98.4 | 37% | 0.37 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.7 | -42.4 | -179.4 | -23.2 | 34.8 | 0 | 0 | 0 | 112.9 | S58 Y60 Q65 R66 | S58-P62 WeakPolarHBondContact O-CD 3.34Å; S58-P62 WeakPolarHBondContact O-CG 3.46Å; Y60-P62 VanDerWaalsContact C-CD 3.48Å; P62-Q65 PolarHBondContact O-N 3.25Å; P62-R66 WeakPolarHBondContact O-CB 3.44Å; P62-R66 PolarHBondContact O-N 3.5Å |
| 63 | D | 97.8 | Very high | 97.6 | Very high | 85 Ų | 85 | 98 Ų | 98 | 46% | 0.455 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -72.1 | -38.7 | -178.5 | -75.3 | -3.4 | 0 | 0 | 0 | 111.7 | Y60 L61 Q65 R66 S67 | Y60-D63 PolarHBondContact O-N 3.44Å; L61-D63 PolarHBondContact O-N 3.31Å; D63-Q65 VanDerWaalsContact C-N 3.34Å; D63-R66 PolarHBondContact O-N 2.96Å; D63-R66 IonicContact OD1-CZ 3.76Å; D63-R66 IonicContact OD1-NH1 3.76Å; D63-R66 PolarHBondContact OD1-NH1 2.98Å; D63-R66 IonicContact OD1-NH2 3.66Å; D63-S67 WeakPolarHBondContact O-CB 3.4Å; D63-S67 PolarHBondContact O-N 2.97Å |
| 64 | L | 97.9 | Very high | 97.8 | Very high | 113 Ų | 113 | 100.2 Ų | 100.2 | 59% | 0.592 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.1 | -42 | 172.3 | -95.4 | 70.7 | 0 | 0 | 0 | 111.5 | Y60 L61 S67 K68 | Y60-L64 WeakPolarHBondContact O-CD1 2.81Å; Y60-L64 PolarHBondContact O-N 3.42Å; L61-L64 PolarHBondContact O-N 3.34Å; L64-S67 PolarHBondContact O-N 2.93Å; L64-K68 WeakPolarHBondContact O-CB 3.38Å; L64-K68 PolarHBondContact O-N 3.37Å |
| 65 | Q | 98.3 | Very high | 97.8 | Very high | 102 Ų | 102 | 97 Ų | 97 | 48% | 0.477 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65 | -41.3 | 176 | -75.4 | 177.2 | -17.2 | 0 | 0 | 111.9 | L61 P62 D63 K68 Q69 | L61-Q65 HydrophobicContact CD1-CG 4.18Å; L61-Q65 HydrophobicContact CG-CG 4.36Å; L61-Q65 WeakPolarHBondContact O-CB 3.46Å; L61-Q65 VanDerWaalsContact O-CG 3.28Å; L61-Q65 WeakPolarHBondContact O-CG 3.41Å; L61-Q65 PolarHBondContact O-N 3.08Å; P62-Q65 PolarHBondContact O-N 3.25Å; D63-Q65 VanDerWaalsContact C-N 3.34Å; Q65-K68 PolarHBondContact O-N 3.26Å; Q65-Q69 WeakPolarHBondContact O-CG 3.47Å; Q65-Q69 PolarHBondContact O-N 3.04Å |
| 66 | R | 98.4 | Very high | 97.9 | Very high | 149 Ų | 149 | 100.7 Ų | 100.7 | 56% | 0.562 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.6 | -45.2 | 175.8 | -166.6 | -174.6 | -59.2 | 113.7 | 5.5 | 111.7 | P62 D63 K68 Q69 A70 | P62-R66 WeakPolarHBondContact O-CB 3.44Å; P62-R66 PolarHBondContact O-N 3.5Å; D63-R66 PolarHBondContact O-N 2.96Å; D63-R66 IonicContact OD1-CZ 3.76Å; D63-R66 IonicContact OD1-NH1 3.76Å; D63-R66 PolarHBondContact OD1-NH1 2.98Å; D63-R66 IonicContact OD1-NH2 3.66Å; R66-K68 VanDerWaalsContact C-N 3.35Å; R66-K68 PolarHBondContact O-N 3.41Å; R66-Q69 PolarHBondContact O-N 3.44Å; R66-A70 WeakPolarHBondContact O-CB 3.31Å; R66-A70 PolarHBondContact O-N 3.48Å |
| 67 | S | 98.3 | Very high | 98 | Very high | 80 Ų | 80 | 100.6 Ų | 100.6 | 56% | 0.559 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -58.3 | -45.7 | 175 | 167.7 | 0 | 0 | 0 | 0 | 111.7 | D63 L64 Q69 A70 L71 | D63-S67 WeakPolarHBondContact O-CB 3.4Å; D63-S67 PolarHBondContact O-N 2.97Å; L64-S67 PolarHBondContact O-N 2.93Å; S67-Q69 PolarHBondContact O-N 2.94Å; S67-A70 PolarHBondContact O-N 3.09Å; S67-L71 WeakPolarHBondContact O-CB 3.48Å; S67-L71 PolarHBondContact O-N 3.03Å |
| 68 | K | 98.3 | Very high | 98.1 | Very high | 132 Ų | 132 | 100.6 Ų | 100.6 | 57% | 0.574 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -57.7 | -47.4 | 176.1 | 179 | -175 | 175.2 | -177.7 | 0 | 111.7 | L64 Q65 R66 L71 Q72 | L64-K68 WeakPolarHBondContact O-CB 3.38Å; L64-K68 PolarHBondContact O-N 3.37Å; Q65-K68 PolarHBondContact O-N 3.26Å; R66-K68 VanDerWaalsContact C-N 3.35Å; R66-K68 PolarHBondContact O-N 3.41Å; K68-L71 PolarHBondContact O-N 3.11Å; K68-Q72 VanDerWaalsContact O-CG 3.28Å; K68-Q72 WeakPolarHBondContact O-CG 3.4Å; K68-Q72 PolarHBondContact O-N 3.38Å |
| 69 | Q | 98.6 | Very high | 98.2 | Very high | 110 Ų | 110 | 99.9 Ų | 99.9 | 51% | 0.514 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.7 | -46.4 | 179.6 | -72.4 | 168.6 | 0.5 | 0 | 0 | 111.4 | Q65 R66 S67 L71 Q72 E73 | Q65-Q69 WeakPolarHBondContact O-CG 3.47Å; Q65-Q69 PolarHBondContact O-N 3.04Å; R66-Q69 PolarHBondContact O-N 3.44Å; S67-Q69 PolarHBondContact O-N 2.94Å; Q69-L71 VanDerWaalsContact C-N 3.29Å; Q69-L71 PolarHBondContact O-N 3.45Å; Q69-Q72 WeakPolarHBondContact O-CB 3.39Å; Q69-Q72 PolarHBondContact O-N 2.89Å; Q69-Q72 VanDerWaalsContact O-N 3.1Å; Q69-E73 WeakPolarHBondContact O-CG 3.34Å; Q69-E73 PolarHBondContact O-N 3.42Å |
| 70 | A | 98.4 | Very high | 98.3 | Very high | 55 Ų | 55 | 97.7 Ų | 97.7 | 46% | 0.455 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.4 | -40 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R66 S67 E73 L74 | R66-A70 WeakPolarHBondContact O-CB 3.31Å; R66-A70 PolarHBondContact O-N 3.48Å; S67-A70 PolarHBondContact O-N 3.09Å; A70-E73 PolarHBondContact O-N 2.96Å; A70-L74 WeakPolarHBondContact O-CB 3.47Å; A70-L74 PolarHBondContact O-N 3.13Å |
| 71 | L | 98.6 | Very high | 98.4 | Very high | 108 Ų | 108 | 96.4 Ų | 96.4 | 57% | 0.565 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67.8 | -37.6 | 176.3 | -173.3 | 62.2 | 0 | 0 | 0 | 112.1 | S67 K68 Q69 L74 T75 | S67-L71 WeakPolarHBondContact O-CB 3.48Å; S67-L71 PolarHBondContact O-N 3.03Å; K68-L71 PolarHBondContact O-N 3.11Å; Q69-L71 VanDerWaalsContact C-N 3.29Å; Q69-L71 PolarHBondContact O-N 3.45Å; L71-L74 PolarHBondContact O-N 3.42Å; L71-T75 WeakPolarHBondContact O-CB 3.47Å; L71-T75 PolarHBondContact O-N 3.46Å; L71-T75 PolarHBondContact O-OG1 2.99Å |
| 72 | Q | 98.5 | Very high | 98.4 | Very high | 109 Ų | 109 | 98 Ų | 98 | 51% | 0.509 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.2 | -46.3 | 175.1 | -74.2 | 175.4 | -33.4 | 0 | 0 | 111.4 | K68 Q69 T75 Q76 | K68-Q72 VanDerWaalsContact O-CG 3.28Å; K68-Q72 WeakPolarHBondContact O-CG 3.4Å; K68-Q72 PolarHBondContact O-N 3.38Å; Q69-Q72 WeakPolarHBondContact O-CB 3.39Å; Q69-Q72 PolarHBondContact O-N 2.89Å; Q69-Q72 VanDerWaalsContact O-N 3.1Å; Q72-T75 PolarHBondContact O-N 3.47Å; Q72-Q76 WeakPolarHBondContact O-CB 3.39Å; Q72-Q76 PolarHBondContact O-N 3.47Å |
| 73 | E | 98.5 | Very high | 98.5 | Very high | 128 Ų | 128 | 99.1 Ų | 99.1 | 60% | 0.598 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.8 | -45.2 | 175.3 | -71.9 | 178.2 | -173.1 | 0 | 0 | 111.6 | Q69 A70 T75 Q76 N77 | Q69-E73 WeakPolarHBondContact O-CG 3.34Å; Q69-E73 PolarHBondContact O-N 3.42Å; A70-E73 PolarHBondContact O-N 2.96Å; E73-T75 VanDerWaalsContact C-N 3.34Å; E73-T75 PolarHBondContact O-N 2.86Å; E73-Q76 PolarHBondContact O-N 3.39Å; E73-N77 WeakPolarHBondContact O-CB 3.47Å; E73-N77 PolarHBondContact O-N 2.85Å; E73-N77 PolarHBondContact O-ND2 3.33Å |
| 74 | L | 98.6 | Very high | 98.5 | Very high | 90 Ų | 90 | 98.2 Ų | 98.2 | 47% | 0.471 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.1 | -45.4 | 177 | -179.5 | 61.6 | 0 | 0 | 0 | 111.6 | A70 L71 Q76 N77 Q78 | A70-L74 WeakPolarHBondContact O-CB 3.47Å; A70-L74 PolarHBondContact O-N 3.13Å; L71-L74 PolarHBondContact O-N 3.42Å; L74-Q76 VanDerWaalsContact C-N 3.34Å; L74-Q76 PolarHBondContact O-N 3.01Å; L74-N77 PolarHBondContact O-N 3.28Å; L74-Q78 WeakPolarHBondContact O-CG 3.42Å; L74-Q78 PolarHBondContact O-N 2.95Å |
| 75 | T | 98.4 | Very high | 98.5 | Very high | 68 Ų | 68 | 97.2 Ų | 97.2 | 42% | 0.417 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.9 | -43.2 | 178.5 | -54.7 | 0 | 0 | 0 | 0 | 110.8 | L71 Q72 E73 N77 Q78 V79 | L71-T75 WeakPolarHBondContact O-CB 3.47Å; L71-T75 PolarHBondContact O-N 3.46Å; L71-T75 PolarHBondContact O-OG1 2.99Å; Q72-T75 PolarHBondContact O-N 3.47Å; E73-T75 VanDerWaalsContact C-N 3.34Å; E73-T75 PolarHBondContact O-N 2.86Å; T75-N77 PolarHBondContact O-N 2.86Å; T75-Q78 WeakPolarHBondContact O-CB 3.43Å; T75-Q78 PolarHBondContact O-N 3.1Å; T75-V79 WeakPolarHBondContact O-CG2 3.47Å; T75-V79 PolarHBondContact O-N 3.37Å |
| 76 | Q | 98.6 | Very high | 98.5 | Very high | 115 Ų | 115 | 98.5 Ų | 98.5 | 54% | 0.537 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 177.1 | -175.5 | 59.7 | 40.9 | 0 | 0 | 111.9 | Q72 E73 L74 Q78 V79 V80 | Q72-Q76 WeakPolarHBondContact O-CB 3.39Å; Q72-Q76 PolarHBondContact O-N 3.47Å; E73-Q76 PolarHBondContact O-N 3.39Å; L74-Q76 VanDerWaalsContact C-N 3.34Å; L74-Q76 PolarHBondContact O-N 3.01Å; Q76-Q78 VanDerWaalsContact C-N 3.3Å; Q76-Q78 PolarHBondContact O-N 3.46Å; Q76-V79 PolarHBondContact O-N 3.02Å; Q76-V80 WeakPolarHBondContact O-CG2 3.37Å; Q76-V80 PolarHBondContact O-N 2.97Å; Q76-V80 VanDerWaalsContact O-N 3.08Å |
| 77 | N | 98.6 | Very high | 98.5 | Very high | 103 Ų | 103 | 97 Ų | 97 | 55% | 0.551 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.1 | -38.4 | 176.6 | -70.9 | -22.5 | 0 | 0 | 0 | 111.6 | E73 L74 T75 V80 L81 | E73-N77 WeakPolarHBondContact O-CB 3.47Å; E73-N77 PolarHBondContact O-N 2.85Å; E73-N77 PolarHBondContact O-ND2 3.33Å; L74-N77 PolarHBondContact O-N 3.28Å; T75-N77 PolarHBondContact O-N 2.86Å; N77-V80 PolarHBondContact O-N 3.3Å; N77-L81 WeakPolarHBondContact O-CB 3.32Å; N77-L81 PolarHBondContact O-N 3.29Å |
| 78 | Q | 98.6 | Very high | 98.5 | Very high | 103 Ų | 103 | 96.8 Ų | 96.8 | 48% | 0.481 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.3 | -42.1 | 174.9 | -76 | 176.6 | -16.7 | 0 | 0 | 112.1 | L74 T75 Q76 L81 L82 | L74-Q78 WeakPolarHBondContact O-CG 3.42Å; L74-Q78 PolarHBondContact O-N 2.95Å; T75-Q78 WeakPolarHBondContact O-CB 3.43Å; T75-Q78 PolarHBondContact O-N 3.1Å; Q76-Q78 VanDerWaalsContact C-N 3.3Å; Q76-Q78 PolarHBondContact O-N 3.46Å; Q78-L81 PolarHBondContact O-N 3.4Å; Q78-L82 VanDerWaalsContact O-CG 3.31Å; Q78-L82 WeakPolarHBondContact O-CG 3.42Å; Q78-L82 PolarHBondContact O-N 3.39Å |
| 79 | V | 98.6 | Very high | 98.5 | Very high | 64 Ų | 64 | 94.9 Ų | 94.9 | 39% | 0.388 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.2 | -49.2 | 175.1 | 172.4 | 0 | 0 | 0 | 0 | 110.5 | T75 Q76 L81 L82 D83 | T75-V79 WeakPolarHBondContact O-CG2 3.47Å; T75-V79 PolarHBondContact O-N 3.37Å; Q76-V79 PolarHBondContact O-N 3.02Å; V79-L81 VanDerWaalsContact C-N 3.3Å; V79-L81 PolarHBondContact O-N 2.87Å; V79-L82 PolarHBondContact O-N 3.26Å; V79-D83 PolarHBondContact O-N 3.45Å |
| 80 | V | 98.6 | Very high | 98.4 | Very high | 73 Ų | 73 | 92.6 Ų | 92.6 | 44% | 0.442 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.7 | -39.8 | 178.6 | 176.2 | 0 | 0 | 0 | 0 | 111.8 | Q76 N77 D83 T84 | Q76-V80 WeakPolarHBondContact O-CG2 3.37Å; Q76-V80 PolarHBondContact O-N 2.97Å; Q76-V80 VanDerWaalsContact O-N 3.08Å; N77-V80 PolarHBondContact O-N 3.3Å; V80-D83 PolarHBondContact O-N 2.82Å; V80-T84 WeakPolarHBondContact O-CB 3.31Å; V80-T84 PolarHBondContact O-N 2.86Å; V80-T84 PolarHBondContact O-OG1 3.45Å |
| 81 | L | 98.6 | Very high | 98.4 | Very high | 102 Ų | 102 | 94.8 Ų | 94.8 | 53% | 0.534 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.6 | -42.6 | 177.4 | 179.7 | 61.8 | 0 | 0 | 0 | 111.8 | N77 Q78 V79 T84 L85 | N77-L81 WeakPolarHBondContact O-CB 3.32Å; N77-L81 PolarHBondContact O-N 3.29Å; Q78-L81 PolarHBondContact O-N 3.4Å; V79-L81 VanDerWaalsContact C-N 3.3Å; V79-L81 PolarHBondContact O-N 2.87Å; L81-T84 PolarHBondContact O-N 2.88Å; L81-L85 HydrophobicContact CD1-CG 4.44Å; L81-L85 HydrophobicContact CG-CD1 4.33Å; L81-L85 WeakPolarHBondContact O-CG 3.15Å; L81-L85 PolarHBondContact O-N 3.28Å |
| 82 | L | 98.7 | Very high | 98.3 | Very high | 113 Ų | 113 | 96.6 Ų | 96.6 | 59% | 0.592 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.6 | -46.8 | 176.6 | -72.7 | 171.8 | 0 | 0 | 0 | 111 | Q78 V79 T84 L85 E86 | Q78-L82 VanDerWaalsContact O-CG 3.31Å; Q78-L82 WeakPolarHBondContact O-CG 3.42Å; Q78-L82 PolarHBondContact O-N 3.39Å; V79-L82 PolarHBondContact O-N 3.26Å; L82-T84 VanDerWaalsContact C-N 3.26Å; L82-T84 PolarHBondContact O-N 3.41Å; L82-L85 PolarHBondContact O-N 3.11Å; L82-E86 WeakPolarHBondContact O-CB 3.21Å; L82-E86 PolarHBondContact O-N 3.32Å |
| 83 | D | 98.6 | Very high | 98.2 | Very high | 79 Ų | 79 | 98.4 Ų | 98.4 | 42% | 0.422 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.2 | -40.6 | 176.4 | -68.2 | -16.5 | 0 | 0 | 0 | 111.3 | V79 V80 E86 Q87 | V79-D83 PolarHBondContact O-N 3.45Å; V80-D83 PolarHBondContact O-N 2.82Å; D83-E86 PolarHBondContact O-N 2.96Å; D83-Q87 VanDerWaalsContact O-CG 3.29Å; D83-Q87 WeakPolarHBondContact O-CG 3.46Å; D83-Q87 PolarHBondContact O-N 3.23Å |
| 84 | T | 98.5 | Very high | 98 | Very high | 66 Ų | 66 | 98.9 Ų | 98.9 | 41% | 0.405 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.3 | -43.8 | 177.9 | -56 | 0 | 0 | 0 | 0 | 111.3 | V80 L81 L82 Q87 E88 | V80-T84 WeakPolarHBondContact O-CB 3.31Å; V80-T84 PolarHBondContact O-N 2.86Å; V80-T84 PolarHBondContact O-OG1 3.45Å; L81-T84 PolarHBondContact O-N 2.88Å; L82-T84 VanDerWaalsContact C-N 3.26Å; L82-T84 PolarHBondContact O-N 3.41Å; T84-Q87 PolarHBondContact O-N 3.4Å; T84-E88 WeakPolarHBondContact O-CG 3.42Å; T84-E88 PolarHBondContact O-N 3.37Å |
| 85 | L | 98.6 | Very high | 97.7 | Very high | 92 Ų | 92 | 98.3 Ų | 98.3 | 48% | 0.482 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.1 | -39.9 | 176.8 | -74.1 | 174.3 | 0 | 0 | 0 | 111.7 | L81 L82 Q87 E88 I89 | L81-L85 HydrophobicContact CD1-CG 4.44Å; L81-L85 HydrophobicContact CG-CD1 4.33Å; L81-L85 WeakPolarHBondContact O-CG 3.15Å; L81-L85 PolarHBondContact O-N 3.28Å; L82-L85 PolarHBondContact O-N 3.11Å; L85-Q87 VanDerWaalsContact C-N 3.34Å; L85-E88 PolarHBondContact O-N 2.9Å; L85-I89 VanDerWaalsContact O-CG1 3.27Å; L85-I89 WeakPolarHBondContact O-CG1 3.44Å; L85-I89 PolarHBondContact O-N 3.01Å |
| 86 | E | 98.3 | Very high | 97.5 | Very high | 129 Ų | 129 | 100.4 Ų | 100.4 | 60% | 0.603 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.9 | -38.6 | 177.2 | -171.9 | 167.3 | -167.5 | 0 | 0 | 112.1 | L82 D83 I89 S90 | L82-E86 WeakPolarHBondContact O-CB 3.21Å; L82-E86 PolarHBondContact O-N 3.32Å; D83-E86 PolarHBondContact O-N 2.96Å; E86-I89 PolarHBondContact O-N 3.05Å; E86-S90 WeakPolarHBondContact O-CB 3.49Å; E86-S90 PolarHBondContact O-N 3.5Å; E86-S90 PolarHBondContact O-OG 2.99Å |
| 87 | Q | 98.3 | Very high | 97.3 | Very high | 117 Ų | 117 | 97.9 Ų | 97.9 | 55% | 0.547 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62 | -44.7 | 171.2 | -72.6 | 173.6 | 23.6 | 0 | 0 | 111.9 | D83 T84 L85 S90 K91 | D83-Q87 VanDerWaalsContact O-CG 3.29Å; D83-Q87 WeakPolarHBondContact O-CG 3.46Å; D83-Q87 PolarHBondContact O-N 3.23Å; T84-Q87 PolarHBondContact O-N 3.4Å; L85-Q87 VanDerWaalsContact C-N 3.34Å; Q87-S90 WeakPolarHBondContact O-CB 3.31Å; Q87-S90 PolarHBondContact O-N 3Å; Q87-K91 WeakPolarHBondContact O-CG 3.42Å; Q87-K91 PolarHBondContact O-N 3.29Å |
| 88 | E | 98.2 | Very high | 96.8 | Very high | 77 Ų | 77 | 98.8 Ų | 98.8 | 36% | 0.36 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64 | -44 | 176.9 | -72.5 | -58.6 | 119.6 | 0 | 0 | 112 | T84 L85 S90 K91 F92 | T84-E88 WeakPolarHBondContact O-CG 3.42Å; T84-E88 PolarHBondContact O-N 3.37Å; L85-E88 PolarHBondContact O-N 2.9Å; E88-S90 PolarHBondContact O-N 3.39Å; E88-K91 PolarHBondContact O-N 3.41Å; E88-K91 VanDerWaalsContact O-N 3.14Å; E88-K91 WeakPolarHBondContact OE1-CD 3.45Å; E88-K91 IonicContact OE1-NZ 2.67Å; E88-K91 PolarHBondContact OE1-NZ 3.29Å; E88-F92 WeakPolarHBondContact O-CD2 3.33Å; E88-F92 PolarHBondContact O-N 3.46Å |
| 89 | I | 97.8 | Very high | 96.4 | Very high | 91 Ų | 91 | 99.2 Ų | 99.2 | 47% | 0.467 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -55.8 | -41.9 | 173.8 | -71.1 | 165.5 | 0 | 0 | 0 | 110.6 | L85 E86 F92 K93 | L85-I89 VanDerWaalsContact O-CG1 3.27Å; L85-I89 WeakPolarHBondContact O-CG1 3.44Å; L85-I89 PolarHBondContact O-N 3.01Å; E86-I89 PolarHBondContact O-N 3.05Å; I89-F92 PolarHBondContact O-N 2.91Å; I89-K93 HydrophobicContact CG2-CD 4.4Å; I89-K93 WeakPolarHBondContact O-CG 3.4Å; I89-K93 PolarHBondContact O-N 3.49Å |
| 90 | S | 97.8 | Very high | 96.2 | Very high | 63 Ų | 63 | 100.4 Ų | 100.4 | 44% | 0.441 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.3 | -43.9 | 178.2 | -60.5 | 0 | 0 | 0 | 0 | 111.8 | E86 Q87 E88 F92 K93 E94 | E86-S90 WeakPolarHBondContact O-CB 3.49Å; E86-S90 PolarHBondContact O-N 3.5Å; E86-S90 PolarHBondContact O-OG 2.99Å; Q87-S90 WeakPolarHBondContact O-CB 3.31Å; Q87-S90 PolarHBondContact O-N 3Å; E88-S90 PolarHBondContact O-N 3.39Å; S90-F92 PolarHBondContact O-N 3.44Å; S90-K93 PolarHBondContact O-N 3.23Å; S90-E94 PolarHBondContact O-N 3.47Å |
| 91 | K | 97.2 | Very high | 96 | Very high | 101 Ų | 101 | 100.9 Ų | 100.9 | 44% | 0.439 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.2 | -42.4 | 174.2 | -67.8 | 173.1 | -168.6 | 167.9 | 0 | 112 | Q87 E88 K93 E94 C95 | Q87-K91 WeakPolarHBondContact O-CG 3.42Å; Q87-K91 PolarHBondContact O-N 3.29Å; E88-K91 PolarHBondContact O-N 3.41Å; E88-K91 VanDerWaalsContact O-N 3.14Å; E88-K91 WeakPolarHBondContact OE1-CD 3.45Å; E88-K91 IonicContact OE1-NZ 2.67Å; E88-K91 PolarHBondContact OE1-NZ 3.29Å; K91-K93 VanDerWaalsContact C-N 3.34Å; K91-K93 PolarHBondContact O-N 2.99Å; K91-E94 WeakPolarHBondContact O-CB 3.42Å; K91-E94 PolarHBondContact O-N 2.96Å; K91-C95 PolarHBondContact O-N 3.35Å; K91-C95 PolarHBondContact O-SG 2.98Å; K91-C95 VanDerWaalsContact O-SG 3.4Å |
| 92 | F | 96.4 | Very high | 95.8 | Very high | 146 Ų | 146 | 101 Ų | 101 | 64% | 0.64 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.1 | -41.6 | 176.5 | -83.6 | -68.3 | 0 | 0 | 0 | 112.4 | E88 I89 S90 E94 C95 H96 | E88-F92 WeakPolarHBondContact O-CD2 3.33Å; E88-F92 PolarHBondContact O-N 3.46Å; I89-F92 PolarHBondContact O-N 2.91Å; S90-F92 PolarHBondContact O-N 3.44Å; F92-E94 VanDerWaalsContact C-N 3.33Å; F92-E94 PolarHBondContact O-N 3.47Å; F92-C95 PolarHBondContact O-N 2.89Å; F92-H96 WeakPolarHBondContact O-CB 3.31Å; F92-H96 PolarHBondContact O-N 3.02Å |
| 93 | K | 96.1 | Very high | 95.7 | Very high | 147 Ų | 147 | 98.4 Ų | 98.4 | 64% | 0.639 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62 | -41.5 | 175.3 | -72.6 | 174.1 | -179.4 | 174.7 | 0 | 111.8 | I89 S90 K91 H96 S97 | I89-K93 HydrophobicContact CG2-CD 4.4Å; I89-K93 WeakPolarHBondContact O-CG 3.4Å; I89-K93 PolarHBondContact O-N 3.49Å; S90-K93 PolarHBondContact O-N 3.23Å; K91-K93 VanDerWaalsContact C-N 3.34Å; K91-K93 PolarHBondContact O-N 2.99Å; K93-H96 PolarHBondContact O-N 3.38Å; K93-S97 PolarHBondContact O-N 3.15Å |
| 94 | E | 94.8 | Very high | 95.6 | Very high | 137 Ų | 137 | 100.1 Ų | 100.1 | 64% | 0.64 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.5 | -47.3 | 175.8 | -173.5 | 177.4 | -174.5 | 0 | 0 | 111.6 | S90 K91 F92 H96 S97 M98 | S90-E94 PolarHBondContact O-N 3.47Å; K91-E94 WeakPolarHBondContact O-CB 3.42Å; K91-E94 PolarHBondContact O-N 2.96Å; F92-E94 VanDerWaalsContact C-N 3.33Å; F92-E94 PolarHBondContact O-N 3.47Å; E94-H96 VanDerWaalsContact C-N 3.31Å; E94-H96 PolarHBondContact O-N 3.47Å; E94-S97 WeakPolarHBondContact O-CB 3.46Å; E94-S97 PolarHBondContact O-N 3.02Å; E94-M98 PolarHBondContact O-N 3.41Å; E94-M98 VanDerWaalsContact O-N 3.16Å |
| 95 | C | 93.4 | Very high | 95.5 | Very high | 78 Ų | 78 | 103 Ų | 103 | 53% | 0.527 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.8 | -40.5 | 175.4 | -67.8 | 0 | 0 | 0 | 0 | 112.5 | K91 F92 M98 L99 | K91-C95 PolarHBondContact O-N 3.35Å; K91-C95 PolarHBondContact O-SG 2.98Å; K91-C95 VanDerWaalsContact O-SG 3.4Å; F92-C95 PolarHBondContact O-N 2.89Å; C95-M98 WeakPolarHBondContact O-CB 3.34Å; C95-M98 PolarHBondContact O-N 3.41Å; C95-L99 PolarHBondContact O-N 3.04Å |
| 96 | H | 93.8 | Very high | 95.5 | Very high | 113 Ų | 113 | 101.7 Ų | 101.7 | 52% | 0.523 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 177.4 | -168.3 | 67.4 | 0 | 0 | 0 | 111.7 | F92 K93 E94 M98 L99 D100 | F92-H96 WeakPolarHBondContact O-CB 3.31Å; F92-H96 PolarHBondContact O-N 3.02Å; K93-H96 PolarHBondContact O-N 3.38Å; E94-H96 VanDerWaalsContact C-N 3.31Å; E94-H96 PolarHBondContact O-N 3.47Å; H96-M98 VanDerWaalsContact C-N 3.26Å; H96-M98 PolarHBondContact O-N 2.96Å; H96-L99 WeakPolarHBondContact O-CA 3.36Å; H96-L99 WeakPolarHBondContact O-CB 3.41Å; H96-L99 PolarHBondContact O-N 2.93Å; H96-D100 IonicContact CD2-OD2 2.7Å; H96-D100 IonicContact NE2-OD1 3.56Å; H96-D100 IonicContact NE2-OD2 3.93Å; H96-D100 PolarHBondContact O-N 3.32Å |
| 97 | S | 93.6 | Very high | 95.5 | Very high | 61 Ų | 61 | 100.3 Ų | 100.3 | 43% | 0.427 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -56.7 | -38 | 174.8 | -177.6 | 0 | 0 | 0 | 0 | 112.6 | K93 E94 L99 D100 I101 | K93-S97 PolarHBondContact O-N 3.15Å; E94-S97 WeakPolarHBondContact O-CB 3.46Å; E94-S97 PolarHBondContact O-N 3.02Å; S97-L99 PolarHBondContact O-N 3.21Å; S97-D100 PolarHBondContact O-N 2.95Å; S97-I101 WeakPolarHBondContact O-CG1 3.4Å; S97-I101 PolarHBondContact O-N 3.48Å |
| 98 | M | 89.3 | Confident | 95.5 | Very high | 122 Ų | 122 | 97.4 Ų | 97.4 | 60% | 0.601 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64 | -38.5 | 174.4 | -63.3 | -169.6 | 92.6 | 0 | 0 | 112.8 | E94 C95 H96 I101 N102 | E94-M98 PolarHBondContact O-N 3.41Å; E94-M98 VanDerWaalsContact O-N 3.16Å; C95-M98 WeakPolarHBondContact O-CB 3.34Å; C95-M98 PolarHBondContact O-N 3.41Å; H96-M98 VanDerWaalsContact C-N 3.26Å; H96-M98 PolarHBondContact O-N 2.96Å; M98-I101 PolarHBondContact O-N 3.07Å; M98-N102 PolarHBondContact O-N 3.33Å; M98-N102 VanDerWaalsContact O-N 3.09Å; M98-N102 PolarHBondContact O-ND2 3.14Å |
| 99 | L | 89.7 | Confident | 95.5 | Very high | 113 Ų | 113 | 101.1 Ų | 101.1 | 59% | 0.592 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.2 | -41 | 175.5 | -66.3 | 175.3 | 0 | 0 | 0 | 111.2 | C95 H96 S97 I101 N102 A103 | C95-L99 PolarHBondContact O-N 3.04Å; H96-L99 WeakPolarHBondContact O-CA 3.36Å; H96-L99 WeakPolarHBondContact O-CB 3.41Å; H96-L99 PolarHBondContact O-N 2.93Å; S97-L99 PolarHBondContact O-N 3.21Å; L99-I101 VanDerWaalsContact C-N 3.34Å; L99-I101 PolarHBondContact O-N 2.93Å; L99-N102 WeakPolarHBondContact O-CB 3.34Å; L99-N102 PolarHBondContact O-N 3.49Å; L99-A103 PolarHBondContact O-N 3.4Å |
| 100 | D | 93.6 | Very high | 95.5 | Very high | 88 Ų | 88 | 101.8 Ų | 101.8 | 47% | 0.471 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.8 | -41.6 | 176.7 | -66.9 | -23.2 | 0 | 0 | 0 | 111.7 | H96 S97 N102 A103 L104 | H96-D100 IonicContact CD2-OD2 2.7Å; H96-D100 IonicContact NE2-OD1 3.56Å; H96-D100 IonicContact NE2-OD2 3.93Å; H96-D100 PolarHBondContact O-N 3.32Å; S97-D100 PolarHBondContact O-N 2.95Å; D100-N102 VanDerWaalsContact C-N 3.35Å; D100-N102 PolarHBondContact O-N 3.3Å; D100-A103 PolarHBondContact O-N 2.97Å; D100-L104 PolarHBondContact O-N 3.24Å |
| 101 | I | 94.1 | Very high | 95.5 | Very high | 84 Ų | 84 | 104.3 Ų | 104.3 | 43% | 0.431 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.5 | -43.2 | 174.3 | -69.4 | 167.8 | 0 | 0 | 0 | 111 | S97 M98 L99 A103 L104 F105 | S97-I101 WeakPolarHBondContact O-CG1 3.4Å; S97-I101 PolarHBondContact O-N 3.48Å; M98-I101 PolarHBondContact O-N 3.07Å; L99-I101 VanDerWaalsContact C-N 3.34Å; L99-I101 PolarHBondContact O-N 2.93Å; I101-A103 VanDerWaalsContact C-N 3.34Å; I101-A103 PolarHBondContact O-N 2.86Å; I101-L104 WeakPolarHBondContact O-CB 3.48Å; I101-L104 PolarHBondContact O-N 2.94Å; I101-F105 HydrophobicContact CG2-CD2 3.72Å; I101-F105 HydrophobicContact CG2-CE2 3.53Å; I101-F105 VanDerWaalsContact O-CD2 3.24Å; I101-F105 WeakPolarHBondContact O-CD2 3.24Å; I101-F105 PolarHBondContact O-N 3.09Å |
| 102 | N | 95.3 | Very high | 95.6 | Very high | 103 Ų | 103 | 105.5 Ų | 105.5 | 55% | 0.551 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.8 | -39.8 | 177.7 | -74.1 | -37.3 | 0 | 0 | 0 | 112.2 | M98 L99 D100 F105 A106 | M98-N102 PolarHBondContact O-N 3.33Å; M98-N102 VanDerWaalsContact O-N 3.09Å; M98-N102 PolarHBondContact O-ND2 3.14Å; L99-N102 WeakPolarHBondContact O-CB 3.34Å; L99-N102 PolarHBondContact O-N 3.49Å; D100-N102 VanDerWaalsContact C-N 3.35Å; D100-N102 PolarHBondContact O-N 3.3Å; N102-F105 PolarHBondContact O-N 3.46Å; N102-A106 PolarHBondContact O-N 3.17Å |
| 103 | A | 95.8 | Very high | 95.7 | Very high | 60 Ų | 60 | 100.8 Ų | 100.8 | 50% | 0.496 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.8 | -44 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L99 D100 I101 F105 A106 E107 | L99-A103 PolarHBondContact O-N 3.4Å; D100-A103 PolarHBondContact O-N 2.97Å; I101-A103 VanDerWaalsContact C-N 3.34Å; I101-A103 PolarHBondContact O-N 2.86Å; A103-F105 VanDerWaalsContact C-N 3.33Å; A103-F105 PolarHBondContact O-N 2.93Å; A103-A106 WeakPolarHBondContact O-CB 3.39Å; A103-A106 PolarHBondContact O-N 3.36Å; A103-A106 VanDerWaalsContact O-N 3.14Å; A103-E107 PolarHBondContact O-N 3.28Å |
| 104 | L | 96.6 | Very high | 95.8 | Very high | 114 Ų | 114 | 97.7 Ų | 97.7 | 60% | 0.597 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.6 | -41.4 | 175.7 | -174.7 | 66.6 | 0 | 0 | 0 | 112 | D100 I101 E107 A108 | D100-L104 PolarHBondContact O-N 3.24Å; I101-L104 WeakPolarHBondContact O-CB 3.48Å; I101-L104 PolarHBondContact O-N 2.94Å; L104-E107 PolarHBondContact O-N 3.47Å; L104-A108 WeakPolarHBondContact O-CB 3.34Å; L104-A108 PolarHBondContact O-N 3.17Å |
| 105 | F | 97.6 | Very high | 96 | Very high | 128 Ų | 128 | 96.8 Ų | 96.8 | 56% | 0.561 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.6 | -38 | 175.2 | -85.4 | -67.7 | 0 | 0 | 0 | 113 | I101 N102 A103 K109 | I101-F105 HydrophobicContact CG2-CD2 3.72Å; I101-F105 HydrophobicContact CG2-CE2 3.53Å; I101-F105 VanDerWaalsContact O-CD2 3.24Å; I101-F105 WeakPolarHBondContact O-CD2 3.24Å; I101-F105 PolarHBondContact O-N 3.09Å; N102-F105 PolarHBondContact O-N 3.46Å; A103-F105 VanDerWaalsContact C-N 3.33Å; A103-F105 PolarHBondContact O-N 2.93Å; F105-K109 WeakPolarHBondContact O-CG 3.46Å; F105-K109 PolarHBondContact O-N 3.02Å |
| 106 | A | 97.7 | Very high | 96.3 | Very high | 63 Ų | 63 | 96.4 Ų | 96.4 | 52% | 0.521 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.5 | -43.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | N102 A103 K109 H110 | N102-A106 PolarHBondContact O-N 3.17Å; A103-A106 WeakPolarHBondContact O-CB 3.39Å; A103-A106 PolarHBondContact O-N 3.36Å; A103-A106 VanDerWaalsContact O-N 3.14Å; A106-K109 PolarHBondContact O-N 3.38Å; A106-H110 PolarHBondContact O-N 2.99Å |
| 107 | E | 97.6 | Very high | 96.5 | Very high | 100 Ų | 100 | 95.4 Ų | 95.4 | 47% | 0.467 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.8 | -41.9 | 177.4 | -171.6 | 166.4 | -152.7 | 0 | 0 | 112.2 | A103 L104 K109 H110 Y111 | A103-E107 PolarHBondContact O-N 3.28Å; L104-E107 PolarHBondContact O-N 3.47Å; E107-K109 VanDerWaalsContact C-N 3.33Å; E107-K109 PolarHBondContact O-N 3.02Å; E107-H110 WeakPolarHBondContact O-CB 3.35Å; E107-H110 PolarHBondContact O-N 3.31Å; E107-H110 VanDerWaalsContact O-N 3.15Å; E107-Y111 HydrophobicContact CG-CD2 3.68Å; E107-Y111 HydrophobicContact CG-CE2 3.45Å; E107-Y111 VanDerWaalsContact CG-CE2 3.45Å; E107-Y111 VanDerWaalsContact O-CD2 3.31Å; E107-Y111 WeakPolarHBondContact O-CD2 3.5Å; E107-Y111 PolarHBondContact O-N 3.5Å; E107-Y111 WeakPolarHBondContact OE1-CE2 3.16Å |
| 108 | A | 98.4 | Very high | 96.8 | Very high | 56 Ų | 56 | 96.8 Ų | 96.8 | 46% | 0.463 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.8 | -43.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L104 Y111 H112 | L104-A108 WeakPolarHBondContact O-CB 3.34Å; L104-A108 PolarHBondContact O-N 3.17Å; A108-Y111 PolarHBondContact O-N 3.07Å; A108-H112 WeakPolarHBondContact O-CB 3.5Å; A108-H112 PolarHBondContact O-N 3.27Å |
| 109 | K | 98.4 | Very high | 97.2 | Very high | 155 Ų | 155 | 99.5 Ų | 99.5 | 67% | 0.674 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62 | -42.5 | 174.6 | -75.8 | 175.7 | -178.3 | 176.5 | 0 | 111.9 | F105 A106 E107 H112 A113 | F105-K109 WeakPolarHBondContact O-CG 3.46Å; F105-K109 PolarHBondContact O-N 3.02Å; A106-K109 PolarHBondContact O-N 3.38Å; E107-K109 VanDerWaalsContact C-N 3.33Å; E107-K109 PolarHBondContact O-N 3.02Å; K109-H112 PolarHBondContact O-N 3.45Å; K109-A113 PolarHBondContact O-N 3.47Å |
| 110 | H | 98.3 | Very high | 97.6 | Very high | 106 Ų | 106 | 100.4 Ų | 100.4 | 49% | 0.491 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.5 | -49.2 | 177.5 | -177.7 | 50.2 | 0 | 0 | 0 | 112.1 | A106 E107 A113 K114 | A106-H110 PolarHBondContact O-N 2.99Å; E107-H110 WeakPolarHBondContact O-CB 3.35Å; E107-H110 PolarHBondContact O-N 3.31Å; E107-H110 VanDerWaalsContact O-N 3.15Å; H110-A113 PolarHBondContact O-N 3.28Å; H110-K114 PolarHBondContact CD2-NZ 2.91Å; H110-K114 VanDerWaalsContact CE1-CE 3.42Å; H110-K114 WeakPolarHBondContact CE1-CE 3.27Å; H110-K114 WeakPolarHBondContact NE2-CE 3.41Å; H110-K114 PolarHBondContact NE2-NZ 3.16Å; H110-K114 WeakPolarHBondContact O-CG 3.4Å; H110-K114 PolarHBondContact O-N 3.38Å |
| 111 | Y | 98.6 | Very high | 97.9 | Very high | 115 Ų | 115 | 101.5 Ų | 101.5 | 45% | 0.451 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.8 | -34.4 | 178.4 | -76.1 | -67.3 | 0 | 0 | 0 | 113.2 | E107 A108 A113 K114 L115 | E107-Y111 HydrophobicContact CG-CD2 3.68Å; E107-Y111 HydrophobicContact CG-CE2 3.45Å; E107-Y111 VanDerWaalsContact CG-CE2 3.45Å; E107-Y111 VanDerWaalsContact O-CD2 3.31Å; E107-Y111 WeakPolarHBondContact O-CD2 3.5Å; E107-Y111 PolarHBondContact O-N 3.5Å; E107-Y111 WeakPolarHBondContact OE1-CE2 3.16Å; A108-Y111 PolarHBondContact O-N 3.07Å; Y111-A113 VanDerWaalsContact C-N 3.35Å; Y111-A113 PolarHBondContact O-N 3.21Å; Y111-K114 HydrophobicContact CD1-CD 3.81Å; Y111-K114 HydrophobicContact CE1-CD 4.12Å; Y111-K114 WeakPolarHBondContact O-CB 3.49Å; Y111-K114 PolarHBondContact O-N 3.48Å; Y111-L115 WeakPolarHBondContact O-CG 3.43Å; Y111-L115 PolarHBondContact O-N 3.01Å |
| 112 | H | 98.6 | Very high | 98.1 | Very high | 126 Ų | 126 | 103.7 Ų | 103.7 | 58% | 0.583 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58.3 | -48.3 | 171.8 | -179.5 | 75.7 | 0 | 0 | 0 | 111.3 | A108 K109 K114 L115 V116 | A108-H112 WeakPolarHBondContact O-CB 3.5Å; A108-H112 PolarHBondContact O-N 3.27Å; K109-H112 PolarHBondContact O-N 3.45Å; H112-K114 VanDerWaalsContact C-N 3.33Å; H112-K114 PolarHBondContact O-N 3.37Å; H112-L115 PolarHBondContact O-N 3.25Å; H112-V116 WeakPolarHBondContact O-CG2 3.43Å; H112-V116 PolarHBondContact O-N 3.4Å |
| 113 | A | 98.6 | Very high | 98.3 | Very high | 48 Ų | 48 | 103.2 Ų | 103.2 | 40% | 0.397 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.2 | -42.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | K109 H110 Y111 L115 V116 N117 | K109-A113 PolarHBondContact O-N 3.47Å; H110-A113 PolarHBondContact O-N 3.28Å; Y111-A113 VanDerWaalsContact C-N 3.35Å; Y111-A113 PolarHBondContact O-N 3.21Å; A113-L115 PolarHBondContact O-N 3.27Å; A113-V116 PolarHBondContact O-N 3.05Å; A113-N117 PolarHBondContact O-N 3.43Å |
| 114 | K | 98.8 | Very high | 98.4 | Very high | 82 Ų | 82 | 104.4 Ų | 104.4 | 36% | 0.357 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58 | -48.6 | 173.9 | -71.3 | 176.3 | -176 | 172.2 | 0 | 111.8 | H110 Y111 H112 V116 N117 I118 | H110-K114 PolarHBondContact CD2-NZ 2.91Å; H110-K114 VanDerWaalsContact CE1-CE 3.42Å; H110-K114 WeakPolarHBondContact CE1-CE 3.27Å; H110-K114 WeakPolarHBondContact NE2-CE 3.41Å; H110-K114 PolarHBondContact NE2-NZ 3.16Å; H110-K114 WeakPolarHBondContact O-CG 3.4Å; H110-K114 PolarHBondContact O-N 3.38Å; Y111-K114 HydrophobicContact CD1-CD 3.81Å; Y111-K114 HydrophobicContact CE1-CD 4.12Å; Y111-K114 WeakPolarHBondContact O-CB 3.49Å; Y111-K114 PolarHBondContact O-N 3.48Å; H112-K114 VanDerWaalsContact C-N 3.33Å; H112-K114 PolarHBondContact O-N 3.37Å; K114-V116 PolarHBondContact O-N 2.94Å; K114-N117 PolarHBondContact O-N 2.87Å; K114-I118 VanDerWaalsContact O-CG1 3.31Å; K114-I118 WeakPolarHBondContact O-CG1 3.43Å; K114-I118 PolarHBondContact O-N 3.14Å |
| 115 | L | 98.8 | Very high | 98.5 | Very high | 117 Ų | 117 | 104 Ų | 104 | 61% | 0.613 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.8 | -41.1 | -179.8 | -74.1 | 172.9 | 0 | 0 | 0 | 112.3 | Y111 H112 A113 N117 I118 R119 | Y111-L115 WeakPolarHBondContact O-CG 3.43Å; Y111-L115 PolarHBondContact O-N 3.01Å; H112-L115 PolarHBondContact O-N 3.25Å; A113-L115 PolarHBondContact O-N 3.27Å; L115-N117 VanDerWaalsContact C-N 3.33Å; L115-N117 PolarHBondContact O-N 3.28Å; L115-I118 PolarHBondContact O-N 2.7Å; L115-R119 WeakPolarHBondContact O-CB 3.47Å; L115-R119 PolarHBondContact O-N 3.28Å |
| 116 | V | 98.7 | Very high | 98.5 | Very high | 70 Ų | 70 | 103.8 Ų | 103.8 | 42% | 0.424 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.6 | -43.1 | 175.5 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | H112 A113 K114 R119 K120 | H112-V116 WeakPolarHBondContact O-CG2 3.43Å; H112-V116 PolarHBondContact O-N 3.4Å; A113-V116 PolarHBondContact O-N 3.05Å; K114-V116 PolarHBondContact O-N 2.94Å; V116-R119 PolarHBondContact O-N 3.5Å; V116-K120 WeakPolarHBondContact O-CB 3.44Å; V116-K120 PolarHBondContact O-N 3.24Å |
| 117 | N | 98.8 | Very high | 98.6 | Very high | 93 Ų | 93 | 105.4 Ų | 105.4 | 50% | 0.497 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65 | -47.7 | 176.8 | -77.5 | -13 | 0 | 0 | 0 | 112.2 | A113 K114 L115 R119 K120 E121 | A113-N117 PolarHBondContact O-N 3.43Å; K114-N117 PolarHBondContact O-N 2.87Å; L115-N117 VanDerWaalsContact C-N 3.33Å; L115-N117 PolarHBondContact O-N 3.28Å; N117-R119 VanDerWaalsContact C-N 3.31Å; N117-R119 PolarHBondContact O-N 2.99Å; N117-K120 WeakPolarHBondContact O-CB 3.49Å; N117-K120 PolarHBondContact O-N 3.23Å; N117-K120 VanDerWaalsContact O-N 3.11Å; N117-E121 WeakPolarHBondContact O-CG 3.31Å; N117-E121 PolarHBondContact O-N 3.46Å |
| 118 | I | 98.8 | Very high | 98.6 | Very high | 89 Ų | 89 | 107.3 Ų | 107.3 | 46% | 0.456 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -57.1 | -46.4 | 176.5 | -69 | 166.1 | 0 | 0 | 0 | 110.3 | K114 L115 K120 E121 M122 | K114-I118 VanDerWaalsContact O-CG1 3.31Å; K114-I118 WeakPolarHBondContact O-CG1 3.43Å; K114-I118 PolarHBondContact O-N 3.14Å; L115-I118 PolarHBondContact O-N 2.7Å; I118-K120 VanDerWaalsContact C-N 3.33Å; I118-K120 PolarHBondContact O-N 3.02Å; I118-E121 PolarHBondContact O-N 2.99Å; I118-M122 HydrophobicContact CG2-CG 4.4Å; I118-M122 HydrophobicContact CG2-SD 4.35Å; I118-M122 WeakPolarHBondContact O-CB 3.43Å; I118-M122 WeakPolarHBondContact O-CG 3.5Å; I118-M122 PolarHBondContact O-N 3.29Å |
| 119 | R | 98.7 | Very high | 98.6 | Very high | 179 Ų | 179 | 108.9 Ų | 108.9 | 68% | 0.675 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -58.1 | -45.4 | 176.9 | 178.7 | -176.4 | 169.7 | 94 | -0 | 111.3 | L115 V116 N117 M122 L123 | L115-R119 WeakPolarHBondContact O-CB 3.47Å; L115-R119 PolarHBondContact O-N 3.28Å; V116-R119 PolarHBondContact O-N 3.5Å; N117-R119 VanDerWaalsContact C-N 3.31Å; N117-R119 PolarHBondContact O-N 2.99Å; R119-M122 PolarHBondContact O-N 2.94Å; R119-L123 PolarHBondContact O-N 2.89Å |
| 120 | K | 98.7 | Very high | 98.7 | Very high | 132 Ų | 132 | 103.5 Ų | 103.5 | 57% | 0.574 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.5 | -46.2 | 178.6 | -178.2 | -178.4 | 177.5 | -178.2 | 0 | 111.4 | V116 N117 I118 L123 M124 | V116-K120 WeakPolarHBondContact O-CB 3.44Å; V116-K120 PolarHBondContact O-N 3.24Å; N117-K120 WeakPolarHBondContact O-CB 3.49Å; N117-K120 PolarHBondContact O-N 3.23Å; N117-K120 VanDerWaalsContact O-N 3.11Å; I118-K120 VanDerWaalsContact C-N 3.33Å; I118-K120 PolarHBondContact O-N 3.02Å; K120-L123 PolarHBondContact O-N 3.18Å; K120-M124 WeakPolarHBondContact O-CG 3.42Å; K120-M124 PolarHBondContact O-N 2.92Å |
| 121 | E | 98.7 | Very high | 98.7 | Very high | 112 Ų | 112 | 104.4 Ų | 104.4 | 52% | 0.523 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.7 | -44.5 | 178 | -72.3 | 177 | -168.8 | 0 | 0 | 112 | N117 I118 L123 M124 L125 | N117-E121 WeakPolarHBondContact O-CG 3.31Å; N117-E121 PolarHBondContact O-N 3.46Å; I118-E121 PolarHBondContact O-N 2.99Å; E121-L123 VanDerWaalsContact C-N 3.31Å; E121-L123 PolarHBondContact O-N 3.28Å; E121-M124 PolarHBondContact O-N 2.91Å; E121-L125 WeakPolarHBondContact O-CB 3.43Å; E121-L125 WeakPolarHBondContact O-CG 3.34Å; E121-L125 PolarHBondContact O-N 3.33Å |
| 122 | M | 98.8 | Very high | 98.7 | Very high | 129 Ų | 129 | 104.5 Ų | 104.5 | 64% | 0.635 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -57.1 | -44.7 | 174.1 | -80.8 | -170.5 | 71.8 | 0 | 0 | 111.8 | I118 R119 L125 H126 | I118-M122 HydrophobicContact CG2-CG 4.4Å; I118-M122 HydrophobicContact CG2-SD 4.35Å; I118-M122 WeakPolarHBondContact O-CB 3.43Å; I118-M122 WeakPolarHBondContact O-CG 3.5Å; I118-M122 PolarHBondContact O-N 3.29Å; R119-M122 PolarHBondContact O-N 2.94Å; M122-L125 PolarHBondContact O-N 3.5Å; M122-H126 VanDerWaalsContact O-CB 3.31Å; M122-H126 WeakPolarHBondContact O-CB 3.35Å; M122-H126 PolarHBondContact O-N 2.87Å |
| 123 | L | 98.6 | Very high | 98.7 | Very high | 94 Ų | 94 | 106.2 Ų | 106.2 | 49% | 0.492 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.3 | -46.9 | 179 | -136.6 | 73.5 | 0 | 0 | 0 | 111.2 | R119 K120 E121 L125 H126 E127 | R119-L123 PolarHBondContact O-N 2.89Å; K120-L123 PolarHBondContact O-N 3.18Å; E121-L123 VanDerWaalsContact C-N 3.31Å; E121-L123 PolarHBondContact O-N 3.28Å; L123-L125 PolarHBondContact O-N 3.34Å; L123-H126 PolarHBondContact O-N 2.73Å; L123-E127 WeakPolarHBondContact O-CG 3.41Å; L123-E127 PolarHBondContact O-N 3.41Å |
| 124 | M | 98.6 | Very high | 98.7 | Very high | 84 Ų | 84 | 111.1 Ų | 111.1 | 41% | 0.414 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.1 | -43.1 | 177 | -74.4 | -158.2 | -63 | 0 | 0 | 112.4 | K120 E121 E127 K128 | K120-M124 WeakPolarHBondContact O-CG 3.42Å; K120-M124 PolarHBondContact O-N 2.92Å; E121-M124 PolarHBondContact O-N 2.91Å; M124-E127 PolarHBondContact O-N 3.19Å; M124-K128 WeakPolarHBondContact O-CB 3.44Å; M124-K128 VanDerWaalsContact O-CG 3.31Å; M124-K128 WeakPolarHBondContact O-CG 3.35Å; M124-K128 PolarHBondContact O-N 2.96Å |
| 125 | L | 98.8 | Very high | 98.7 | Very high | 106 Ų | 106 | 116 Ų | 116 | 56% | 0.555 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -62.7 | -46.6 | 176.2 | -79.4 | 169.2 | 0 | 0 | 0 | 111 | E121 M122 L123 E127 K128 T129 | E121-L125 WeakPolarHBondContact O-CB 3.43Å; E121-L125 WeakPolarHBondContact O-CG 3.34Å; E121-L125 PolarHBondContact O-N 3.33Å; M122-L125 PolarHBondContact O-N 3.5Å; L123-L125 PolarHBondContact O-N 3.34Å; L125-E127 VanDerWaalsContact C-N 3.32Å; L125-E127 PolarHBondContact O-N 3Å; L125-K128 PolarHBondContact O-N 3.38Å; L125-T129 WeakPolarHBondContact O-CB 3.29Å; L125-T129 PolarHBondContact O-N 2.93Å; L125-T129 PolarHBondContact O-OG1 3.4Å |
| 126 | H | 98.8 | Very high | 98.7 | Very high | 124 Ų | 124 | 113.1 Ų | 113.1 | 57% | 0.574 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -58.4 | -43.6 | 178 | 176.7 | -94.3 | 0 | 0 | 0 | 111.9 | M122 L123 S130 | M122-H126 VanDerWaalsContact O-CB 3.31Å; M122-H126 WeakPolarHBondContact O-CB 3.35Å; M122-H126 PolarHBondContact O-N 2.87Å; L123-H126 PolarHBondContact O-N 2.73Å; H126-S130 WeakPolarHBondContact O-CB 3.48Å; H126-S130 PolarHBondContact O-N 3.49Å; H126-S130 PolarHBondContact O-OG 2.98Å |
| 127 | E | 98.6 | Very high | 98.7 | Very high | 97 Ų | 97 | 114 Ų | 114 | 45% | 0.453 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.5 | -46.7 | 176.2 | -74.5 | -179.7 | -163.6 | 0 | 0 | 112.8 | L123 M124 L125 S130 K131 | L123-E127 WeakPolarHBondContact O-CG 3.41Å; L123-E127 PolarHBondContact O-N 3.41Å; M124-E127 PolarHBondContact O-N 3.19Å; L125-E127 VanDerWaalsContact C-N 3.32Å; L125-E127 PolarHBondContact O-N 3Å; E127-S130 PolarHBondContact O-N 3.32Å; E127-K131 WeakPolarHBondContact O-CG 3.49Å; E127-K131 PolarHBondContact O-N 3.07Å |
| 128 | K | 98.6 | Very high | 98.6 | Very high | 140 Ų | 140 | 116.7 Ų | 116.7 | 61% | 0.609 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -60.2 | -49.1 | 178 | -74.5 | 176 | -178.3 | 179.2 | 0 | 110.7 | M124 L125 S130 K131 L132 | M124-K128 WeakPolarHBondContact O-CB 3.44Å; M124-K128 VanDerWaalsContact O-CG 3.31Å; M124-K128 WeakPolarHBondContact O-CG 3.35Å; M124-K128 PolarHBondContact O-N 2.96Å; L125-K128 PolarHBondContact O-N 3.38Å; K128-S130 PolarHBondContact O-N 2.88Å; K128-K131 PolarHBondContact O-N 3.04Å; K128-L132 WeakPolarHBondContact O-CB 3.39Å; K128-L132 PolarHBondContact O-N 3.47Å |
| 129 | T | 98.7 | Very high | 98.6 | Very high | 88 Ų | 88 | 117 Ų | 117 | 54% | 0.54 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.5 | -42.8 | 178 | -61.6 | 0 | 0 | 0 | 0 | 111.6 | L125 K131 L132 K133 | L125-T129 WeakPolarHBondContact O-CB 3.29Å; L125-T129 PolarHBondContact O-N 2.93Å; L125-T129 PolarHBondContact O-OG1 3.4Å; T129-K131 PolarHBondContact O-N 3.25Å; T129-L132 PolarHBondContact O-N 2.93Å; T129-K133 WeakPolarHBondContact O-CB 3.35Å; T129-K133 PolarHBondContact O-N 3.45Å |
| 130 | S | 98.6 | Very high | 98.6 | Very high | 42 Ų | 42 | 113.5 Ų | 113.5 | 29% | 0.294 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 177.1 | -68.8 | 0 | 0 | 0 | 0 | 112.4 | H126 E127 K128 K134 | H126-S130 WeakPolarHBondContact O-CB 3.48Å; H126-S130 PolarHBondContact O-N 3.49Å; H126-S130 PolarHBondContact O-OG 2.98Å; E127-S130 PolarHBondContact O-N 3.32Å; K128-S130 PolarHBondContact O-N 2.88Å; S130-K134 WeakPolarHBondContact O-CG 3.47Å; S130-K134 PolarHBondContact O-N 2.92Å; S130-K134 VanDerWaalsContact O-N 3.1Å |
| 131 | K | 98.6 | Very high | 98.6 | Very high | 125 Ų | 125 | 112.3 Ų | 112.3 | 54% | 0.543 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.5 | -42.6 | 176 | -72.9 | 172.5 | -176.7 | 169 | 0 | 111.2 | E127 K128 T129 K134 R135 | E127-K131 WeakPolarHBondContact O-CG 3.49Å; E127-K131 PolarHBondContact O-N 3.07Å; K128-K131 PolarHBondContact O-N 3.04Å; T129-K131 PolarHBondContact O-N 3.25Å; K131-K134 PolarHBondContact O-N 3.03Å; K131-R135 WeakPolarHBondContact O-CG 3.43Å; K131-R135 PolarHBondContact O-N 3.49Å; K131-R135 VanDerWaalsContact O-N 3.11Å |
| 132 | L | 98.7 | Very high | 98.5 | Very high | 117 Ų | 117 | 113 Ų | 113 | 61% | 0.613 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.8 | -46.3 | 178 | -173.8 | 61.9 | 0 | 0 | 0 | 111.7 | K128 T129 K134 R135 A136 | K128-L132 WeakPolarHBondContact O-CB 3.39Å; K128-L132 PolarHBondContact O-N 3.47Å; T129-L132 PolarHBondContact O-N 2.93Å; L132-K134 VanDerWaalsContact C-N 3.33Å; L132-K134 PolarHBondContact O-N 3.44Å; L132-R135 PolarHBondContact O-N 3.28Å; L132-R135 VanDerWaalsContact O-N 3.09Å; L132-A136 PolarHBondContact O-N 3.33Å |
| 133 | K | 98.7 | Very high | 98.5 | Very high | 163 Ų | 163 | 114.9 Ų | 114.9 | 71% | 0.709 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -57.1 | -44.4 | 176.2 | -172.3 | 177.8 | -178.4 | 178.5 | 0 | 111.8 | T129 R135 A136 L137 | T129-K133 WeakPolarHBondContact O-CB 3.35Å; T129-K133 PolarHBondContact O-N 3.45Å; K133-R135 VanDerWaalsContact C-N 3.35Å; K133-R135 PolarHBondContact O-N 3.27Å; K133-A136 PolarHBondContact O-N 3.08Å; K133-L137 WeakPolarHBondContact O-CB 3.5Å; K133-L137 PolarHBondContact O-N 2.67Å |
| 134 | K | 98.6 | Very high | 98.4 | Very high | 150 Ų | 150 | 115.3 Ų | 115.3 | 65% | 0.652 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -60.2 | -42.1 | 175.2 | -75 | 177.8 | -179.1 | -179.6 | 0 | 112.3 | S130 K131 L132 K138 | S130-K134 WeakPolarHBondContact O-CG 3.47Å; S130-K134 PolarHBondContact O-N 2.92Å; S130-K134 VanDerWaalsContact O-N 3.1Å; K131-K134 PolarHBondContact O-N 3.03Å; L132-K134 VanDerWaalsContact C-N 3.33Å; L132-K134 PolarHBondContact O-N 3.44Å; K134-K138 WeakPolarHBondContact O-CG 3.32Å; K134-K138 PolarHBondContact O-N 2.95Å; K134-K138 VanDerWaalsContact O-N 3.13Å |
| 135 | R | 98.6 | Very high | 98.3 | Very high | 184 Ų | 184 | 117.4 Ų | 117.4 | 69% | 0.694 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -67.8 | -44.7 | 178.6 | -70.8 | 174.8 | -177.6 | -175.4 | -0.3 | 111.9 | K131 L132 K133 L137 K138 L139 | K131-R135 WeakPolarHBondContact O-CG 3.43Å; K131-R135 PolarHBondContact O-N 3.49Å; K131-R135 VanDerWaalsContact O-N 3.11Å; L132-R135 PolarHBondContact O-N 3.28Å; L132-R135 VanDerWaalsContact O-N 3.09Å; K133-R135 VanDerWaalsContact C-N 3.35Å; K133-R135 PolarHBondContact O-N 3.27Å; R135-L137 VanDerWaalsContact C-N 3.34Å; R135-L137 PolarHBondContact O-N 3.35Å; R135-K138 PolarHBondContact O-N 3.43Å; R135-L139 WeakPolarHBondContact O-CB 3.41Å; R135-L139 PolarHBondContact O-N 2.95Å |
| 136 | A | 98.6 | Very high | 98.2 | Very high | 57 Ų | 57 | 116 Ų | 116 | 47% | 0.471 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -58.8 | -46 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L132 K133 K138 L139 Q140 | L132-A136 PolarHBondContact O-N 3.33Å; K133-A136 PolarHBondContact O-N 3.08Å; A136-K138 PolarHBondContact O-N 3.26Å; A136-L139 PolarHBondContact O-N 3.32Å; A136-Q140 PolarHBondContact O-N 2.73Å |
| 137 | L | 98.5 | Very high | 98.2 | Very high | 89 Ų | 89 | 116.3 Ų | 116.3 | 47% | 0.466 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.9 | -46 | 177.8 | -175.1 | 65.4 | 0 | 0 | 0 | 112.2 | K133 R135 L139 Q140 Q141 | K133-L137 WeakPolarHBondContact O-CB 3.5Å; K133-L137 PolarHBondContact O-N 2.67Å; R135-L137 VanDerWaalsContact C-N 3.34Å; R135-L137 PolarHBondContact O-N 3.35Å; L137-L139 VanDerWaalsContact C-N 3.29Å; L137-L139 PolarHBondContact O-N 3.28Å; L137-Q140 PolarHBondContact O-N 3.48Å; L137-Q141 WeakPolarHBondContact O-CG 3.42Å; L137-Q141 PolarHBondContact O-N 2.9Å |
| 138 | K | 98.3 | Very high | 98 | Very high | 149 Ų | 149 | 116.4 Ų | 116.4 | 65% | 0.648 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -60.1 | -40.2 | 176.3 | -75.8 | -177.5 | 177.6 | -169.8 | 0 | 112.2 | K134 R135 A136 K142 | K134-K138 WeakPolarHBondContact O-CG 3.32Å; K134-K138 PolarHBondContact O-N 2.95Å; K134-K138 VanDerWaalsContact O-N 3.13Å; R135-K138 PolarHBondContact O-N 3.43Å; A136-K138 PolarHBondContact O-N 3.26Å; K138-K142 WeakPolarHBondContact O-CB 3.28Å; K138-K142 PolarHBondContact O-N 3.1Å |
| 139 | L | 98.4 | Very high | 97.9 | Very high | 95 Ų | 95 | 113.9 Ų | 113.9 | 50% | 0.497 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.9 | -41.9 | 178.3 | -174.4 | 64.6 | 0 | 0 | 0 | 111.5 | R135 A136 L137 K142 R143 | R135-L139 WeakPolarHBondContact O-CB 3.41Å; R135-L139 PolarHBondContact O-N 2.95Å; A136-L139 PolarHBondContact O-N 3.32Å; L137-L139 VanDerWaalsContact C-N 3.29Å; L137-L139 PolarHBondContact O-N 3.28Å; L139-K142 PolarHBondContact O-N 3Å; L139-R143 WeakPolarHBondContact O-CG 3.45Å; L139-R143 PolarHBondContact O-N 2.9Å; L139-R143 VanDerWaalsContact O-N 3.07Å |
| 140 | Q | 98.1 | Very high | 97.8 | Very high | 107 Ų | 107 | 116.1 Ų | 116.1 | 50% | 0.5 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.4 | -48.4 | 175.7 | -175.6 | -179.6 | 3.2 | 0 | 0 | 111.6 | A136 L137 K142 R143 Q144 | A136-Q140 PolarHBondContact O-N 2.73Å; L137-Q140 PolarHBondContact O-N 3.48Å; Q140-K142 VanDerWaalsContact C-N 3.32Å; Q140-K142 PolarHBondContact O-N 3.33Å; Q140-R143 PolarHBondContact O-N 3.29Å; Q140-Q144 WeakPolarHBondContact O-CG 3.46Å; Q140-Q144 PolarHBondContact O-N 3.49Å |
| 141 | Q | 98 | Very high | 97.6 | Very high | 107 Ų | 107 | 119.2 Ų | 119.2 | 50% | 0.5 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -59.9 | -41.7 | 177.7 | -72.5 | 173.9 | -21.2 | 0 | 0 | 111.9 | L137 Q144 K145 | L137-Q141 WeakPolarHBondContact O-CG 3.42Å; L137-Q141 PolarHBondContact O-N 2.9Å; Q141-Q144 PolarHBondContact O-N 3.06Å; Q141-K145 WeakPolarHBondContact O-CB 3.38Å; Q141-K145 PolarHBondContact O-N 2.95Å |
| 142 | K | 97.6 | Very high | 97.4 | Very high | 127 Ų | 127 | 118.1 Ų | 118.1 | 55% | 0.552 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.6 | -46.3 | 176.7 | -178.3 | 175 | 171.2 | 176.8 | 0 | 111.6 | K138 L139 Q140 K145 E146 | K138-K142 WeakPolarHBondContact O-CB 3.28Å; K138-K142 PolarHBondContact O-N 3.1Å; L139-K142 PolarHBondContact O-N 3Å; Q140-K142 VanDerWaalsContact C-N 3.32Å; Q140-K142 PolarHBondContact O-N 3.33Å; K142-K145 PolarHBondContact O-N 3.39Å; K142-E146 WeakPolarHBondContact CE-OE1 3.46Å; K142-E146 HydrophobicContact CG-CG 4.48Å; K142-E146 IonicContact NZ-OE1 3.84Å; K142-E146 WeakPolarHBondContact O-CG 3.36Å; K142-E146 PolarHBondContact O-N 3.47Å |
| 143 | R | 97.6 | Very high | 97.1 | Very high | 167 Ų | 167 | 118.2 Ų | 118.2 | 63% | 0.63 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.8 | -46.4 | 177.8 | -74.6 | -176.6 | 177.4 | -170.8 | -0.9 | 112.4 | L139 Q140 K145 E146 E147 | L139-R143 WeakPolarHBondContact O-CG 3.45Å; L139-R143 PolarHBondContact O-N 2.9Å; L139-R143 VanDerWaalsContact O-N 3.07Å; Q140-R143 PolarHBondContact O-N 3.29Å; R143-K145 VanDerWaalsContact C-N 3.32Å; R143-K145 PolarHBondContact O-N 3.42Å; R143-E146 PolarHBondContact O-N 3.33Å; R143-E147 WeakPolarHBondContact O-CB 2.96Å; R143-E147 PolarHBondContact O-N 2.92Å |
| 144 | Q | 97 | Very high | 96.9 | Very high | 103 Ų | 103 | 117.3 Ų | 117.3 | 48% | 0.481 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.1 | -42.3 | 177.8 | -72.9 | 177.4 | -15 | 0 | 0 | 112 | Q140 Q141 E147 L148 | Q140-Q144 WeakPolarHBondContact O-CG 3.46Å; Q140-Q144 PolarHBondContact O-N 3.49Å; Q141-Q144 PolarHBondContact O-N 3.06Å; Q144-E147 PolarHBondContact O-N 3.39Å; Q144-L148 WeakPolarHBondContact O-CG 3.43Å; Q144-L148 PolarHBondContact O-N 3.38Å; Q144-L148 VanDerWaalsContact O-N 3.08Å |
| 145 | K | 97.4 | Very high | 96.6 | Very high | 129 Ų | 129 | 116 Ų | 116 | 56% | 0.561 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.3 | -46.7 | 176.8 | -177.6 | 175.3 | 171.4 | 177.1 | 0 | 112.1 | Q141 K142 R143 E147 L148 E149 | Q141-K145 WeakPolarHBondContact O-CB 3.38Å; Q141-K145 PolarHBondContact O-N 2.95Å; K142-K145 PolarHBondContact O-N 3.39Å; R143-K145 VanDerWaalsContact C-N 3.32Å; R143-K145 PolarHBondContact O-N 3.42Å; K145-E147 VanDerWaalsContact C-N 3.28Å; K145-E147 PolarHBondContact O-N 2.93Å; K145-L148 PolarHBondContact O-N 3.32Å; K145-E149 WeakPolarHBondContact CE-OE1 3.41Å; K145-E149 HydrophobicContact CG-CG 4.46Å; K145-E149 IonicContact NZ-OE1 3.57Å; K145-E149 WeakPolarHBondContact O-CB 3.49Å; K145-E149 WeakPolarHBondContact O-CG 3.28Å; K145-E149 PolarHBondContact O-N 3.17Å |
| 146 | E | 97.3 | Very high | 96.3 | Very high | 77 Ų | 77 | 112.9 Ų | 112.9 | 36% | 0.36 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.4 | -33.2 | 178.1 | -74 | 175.1 | 179.5 | 0 | 0 | 112.7 | K142 R143 R150 | K142-E146 WeakPolarHBondContact CE-OE1 3.46Å; K142-E146 HydrophobicContact CG-CG 4.48Å; K142-E146 IonicContact NZ-OE1 3.84Å; K142-E146 WeakPolarHBondContact O-CG 3.36Å; K142-E146 PolarHBondContact O-N 3.47Å; R143-E146 PolarHBondContact O-N 3.33Å; E146-R150 VanDerWaalsContact O-CB 3.23Å; E146-R150 WeakPolarHBondContact O-CB 3.36Å; E146-R150 PolarHBondContact O-N 3.3Å; E146-R150 VanDerWaalsContact O-N 3.09Å; E146-R150 PolarHBondContact O-NH1 2.87Å |
| 147 | E | 96.7 | Very high | 96 | Very high | 129 Ų | 129 | 116.3 Ų | 116.3 | 60% | 0.603 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -69.1 | -47.6 | 176.1 | -170.6 | 165.7 | -156.2 | 0 | 0 | 111.6 | R143 Q144 K145 E149 R150 E151 | R143-E147 WeakPolarHBondContact O-CB 2.96Å; R143-E147 PolarHBondContact O-N 2.92Å; Q144-E147 PolarHBondContact O-N 3.39Å; K145-E147 VanDerWaalsContact C-N 3.28Å; K145-E147 PolarHBondContact O-N 2.93Å; E147-E149 PolarHBondContact O-N 2.87Å; E147-R150 PolarHBondContact O-N 3.43Å; E147-E151 PolarHBondContact O-N 3.04Å |
| 148 | L | 95.9 | Very high | 95.6 | Very high | 100 Ų | 100 | 118.5 Ų | 118.5 | 52% | 0.524 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.2 | -45 | 174.5 | -74.4 | 168 | 0 | 0 | 0 | 112.3 | Q144 K145 R150 E151 Q152 | Q144-L148 WeakPolarHBondContact O-CG 3.43Å; Q144-L148 PolarHBondContact O-N 3.38Å; Q144-L148 VanDerWaalsContact O-N 3.08Å; K145-L148 PolarHBondContact O-N 3.32Å; L148-R150 VanDerWaalsContact C-N 3.32Å; L148-R150 PolarHBondContact O-N 3.5Å; L148-E151 PolarHBondContact O-N 3.33Å; L148-Q152 WeakPolarHBondContact O-CG 3.43Å; L148-Q152 PolarHBondContact O-N 3.43Å |
| 149 | E | 96.2 | Very high | 95.1 | Very high | 87 Ų | 87 | 116.3 Ų | 116.3 | 41% | 0.407 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.8 | -40 | 178.2 | -75.7 | 176 | 174.3 | 0 | 0 | 111.8 | K145 E147 Q153 | K145-E149 WeakPolarHBondContact CE-OE1 3.41Å; K145-E149 HydrophobicContact CG-CG 4.46Å; K145-E149 IonicContact NZ-OE1 3.57Å; K145-E149 WeakPolarHBondContact O-CB 3.49Å; K145-E149 WeakPolarHBondContact O-CG 3.28Å; K145-E149 PolarHBondContact O-N 3.17Å; E147-E149 PolarHBondContact O-N 2.87Å; E149-Q153 WeakPolarHBondContact O-CG 3.28Å; E149-Q153 PolarHBondContact O-N 3.46Å |
| 150 | R | 96.4 | Very high | 94.6 | Very high | 135 Ų | 135 | 120.3 Ų | 120.3 | 51% | 0.509 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.1 | -36.7 | 177.6 | -168.1 | -177.1 | -77.7 | 102.5 | -7.3 | 111.6 | E146 E147 L148 R154 | E146-R150 VanDerWaalsContact O-CB 3.23Å; E146-R150 WeakPolarHBondContact O-CB 3.36Å; E146-R150 PolarHBondContact O-N 3.3Å; E146-R150 VanDerWaalsContact O-N 3.09Å; E146-R150 PolarHBondContact O-NH1 2.87Å; E147-R150 PolarHBondContact O-N 3.43Å; L148-R150 VanDerWaalsContact C-N 3.32Å; L148-R150 PolarHBondContact O-N 3.5Å; R150-R154 WeakPolarHBondContact O-CG 3.24Å; R150-R154 PolarHBondContact O-N 2.89Å; R150-R154 VanDerWaalsContact O-N 3.15Å |
| 151 | E | 94.1 | Very high | 94.1 | Very high | 107 Ų | 107 | 121.2 Ų | 121.2 | 50% | 0.5 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.5 | -44.7 | 175.6 | -167.4 | 167.7 | -147.8 | 0 | 0 | 112.3 | E147 L148 Q153 R154 E155 | E147-E151 PolarHBondContact O-N 3.04Å; L148-E151 PolarHBondContact O-N 3.33Å; E151-Q153 VanDerWaalsContact C-N 3.28Å; E151-Q153 PolarHBondContact O-N 3.15Å; E151-R154 WeakPolarHBondContact O-CB 3.39Å; E151-R154 PolarHBondContact O-N 3.49Å; E151-R154 VanDerWaalsContact O-N 3.15Å; E151-E155 PolarHBondContact O-N 3.36Å |
| 152 | Q | 93.9 | Very high | 93.5 | Very high | 102 Ų | 102 | 123.3 Ų | 123.3 | 48% | 0.477 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.8 | -35.8 | 174.2 | -72.6 | 178.5 | 6.7 | 0 | 0 | 112.8 | L148 K156 | L148-Q152 WeakPolarHBondContact O-CG 3.43Å; L148-Q152 PolarHBondContact O-N 3.43Å; Q152-K156 VanDerWaalsContact O-CG 3.29Å; Q152-K156 WeakPolarHBondContact O-CG 3.26Å; Q152-K156 PolarHBondContact O-N 2.89Å; Q152-K156 VanDerWaalsContact O-N 3.07Å |
| 153 | Q | 93.8 | Very high | 92.7 | Very high | 119 Ų | 119 | 124.9 Ų | 124.9 | 56% | 0.556 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.6 | -46.2 | 174.2 | -79.2 | 172.3 | -12.2 | 0 | 0 | 111.4 | E149 E151 E155 K156 E157 | E149-Q153 WeakPolarHBondContact O-CG 3.28Å; E149-Q153 PolarHBondContact O-N 3.46Å; E151-Q153 VanDerWaalsContact C-N 3.28Å; E151-Q153 PolarHBondContact O-N 3.15Å; Q153-E155 VanDerWaalsContact C-N 3.31Å; Q153-E155 PolarHBondContact O-N 2.99Å; Q153-K156 PolarHBondContact O-N 2.89Å; Q153-E157 WeakPolarHBondContact O-CG 3.43Å; Q153-E157 PolarHBondContact O-N 3.42Å |
| 154 | R | 94.3 | Very high | 91.7 | Very high | 144 Ų | 144 | 124.2 Ų | 124.2 | 54% | 0.543 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -60 | -40.9 | 176 | -71.5 | -173.7 | -61.5 | -156.6 | 2.2 | 112.2 | R150 E151 E157 F158 | R150-R154 WeakPolarHBondContact O-CG 3.24Å; R150-R154 PolarHBondContact O-N 2.89Å; R150-R154 VanDerWaalsContact O-N 3.15Å; E151-R154 WeakPolarHBondContact O-CB 3.39Å; E151-R154 PolarHBondContact O-N 3.49Å; E151-R154 VanDerWaalsContact O-N 3.15Å; R154-E157 PolarHBondContact O-N 2.83Å; R154-F158 WeakPolarHBondContact O-CB 3.27Å; R154-F158 PolarHBondContact O-N 2.87Å |
| 155 | E | 91.8 | Very high | 90.6 | Very high | 121 Ų | 121 | 123.5 Ų | 123.5 | 57% | 0.565 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -64.1 | -44.2 | 177.6 | -170 | 173.4 | -156.1 | 0 | 0 | 111.8 | E151 Q153 E157 F158 E159 | E151-E155 PolarHBondContact O-N 3.36Å; Q153-E155 VanDerWaalsContact C-N 3.31Å; Q153-E155 PolarHBondContact O-N 2.99Å; E155-E157 VanDerWaalsContact C-N 3.33Å; E155-E157 PolarHBondContact O-N 2.83Å; E155-F158 PolarHBondContact O-N 3.35Å; E155-E159 WeakPolarHBondContact O-CG 3.37Å; E155-E159 PolarHBondContact O-N 3.4Å |
| 156 | K | 93.1 | Very high | 89.2 | Confident | 120 Ų | 120 | 121.8 Ų | 121.8 | 52% | 0.522 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.7 | -38.5 | 175.4 | -72.3 | 171.2 | -173.4 | 174.8 | 0 | 112.8 | Q152 Q153 R160 | Q152-K156 VanDerWaalsContact O-CG 3.29Å; Q152-K156 WeakPolarHBondContact O-CG 3.26Å; Q152-K156 PolarHBondContact O-N 2.89Å; Q152-K156 VanDerWaalsContact O-N 3.07Å; Q153-K156 PolarHBondContact O-N 2.89Å; K156-R160 VanDerWaalsContact O-CG 3.31Å; K156-R160 WeakPolarHBondContact O-CG 3.27Å; K156-R160 PolarHBondContact O-N 2.82Å; K156-R160 VanDerWaalsContact O-N 3.11Å |
| 157 | E | 91.4 | Very high | 87.6 | Confident | 129 Ų | 129 | 129.4 Ų | 129.4 | 60% | 0.603 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65.2 | -45.4 | 175.1 | -74.3 | 175.5 | -179.5 | 0 | 0 | 111 | Q153 R154 E155 E159 R160 E161 | Q153-E157 WeakPolarHBondContact O-CG 3.43Å; Q153-E157 PolarHBondContact O-N 3.42Å; R154-E157 PolarHBondContact O-N 2.83Å; E155-E157 VanDerWaalsContact C-N 3.33Å; E155-E157 PolarHBondContact O-N 2.83Å; E157-E159 PolarHBondContact O-N 3.05Å; E157-R160 WeakPolarHBondContact O-CB 3.37Å; E157-R160 PolarHBondContact O-N 3.35Å; E157-E161 PolarHBondContact O-N 3.49Å |
| 158 | F | 90.3 | Very high | 86.2 | Confident | 135 Ų | 135 | 129 Ų | 129 | 59% | 0.592 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -62.2 | -40.1 | 176.7 | -173.1 | -102.4 | 0 | 0 | 0 | 112.6 | R154 E155 E161 K162 | R154-F158 WeakPolarHBondContact O-CB 3.27Å; R154-F158 PolarHBondContact O-N 2.87Å; E155-F158 PolarHBondContact O-N 3.35Å; F158-E161 PolarHBondContact O-N 3.49Å; F158-K162 WeakPolarHBondContact O-CB 3.35Å; F158-K162 PolarHBondContact O-N 2.97Å |
| 159 | E | 88.4 | Confident | 84.3 | Confident | 103 Ų | 103 | 128.8 Ų | 128.8 | 48% | 0.481 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -64.1 | -41.2 | 174.5 | -75.7 | -170.6 | 154.8 | 0 | 0 | 112.6 | E155 E157 K162 Q163 | E155-E159 WeakPolarHBondContact O-CG 3.37Å; E155-E159 PolarHBondContact O-N 3.4Å; E157-E159 PolarHBondContact O-N 3.05Å; E159-K162 PolarHBondContact O-N 3.36Å; E159-Q163 WeakPolarHBondContact O-CG 3.46Å; E159-Q163 PolarHBondContact O-N 3.23Å |
| 160 | R | 88.4 | Confident | 82.6 | Confident | 178 Ų | 178 | 134.5 Ų | 134.5 | 67% | 0.672 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -61.6 | -44.5 | 174.7 | -74.3 | 173.8 | -180 | -166.9 | 0.2 | 111.3 | K156 E157 Q163 L164 | K156-R160 VanDerWaalsContact O-CG 3.31Å; K156-R160 WeakPolarHBondContact O-CG 3.27Å; K156-R160 PolarHBondContact O-N 2.82Å; K156-R160 VanDerWaalsContact O-N 3.11Å; E157-R160 WeakPolarHBondContact O-CB 3.37Å; E157-R160 PolarHBondContact O-N 3.35Å; R160-Q163 PolarHBondContact O-N 3.43Å; R160-L164 WeakPolarHBondContact O-CG 3.01Å; R160-L164 PolarHBondContact O-N 2.91Å; R160-L164 VanDerWaalsContact O-N 3.1Å |
| 161 | E | 85.9 | Confident | 80.8 | Confident | 127 Ų | 127 | 139.8 Ų | 139.8 | 59% | 0.593 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -59.8 | -46.9 | 176.3 | -171.8 | -179.5 | 178.9 | 0 | 0 | 111.2 | E157 F158 Q163 L164 T165 | E157-E161 PolarHBondContact O-N 3.49Å; F158-E161 PolarHBondContact O-N 3.49Å; E161-Q163 VanDerWaalsContact C-N 3.31Å; E161-Q163 PolarHBondContact O-N 3.01Å; E161-L164 CarbonylContact O-C 3.58Å; E161-L164 PolarHBondContact O-N 2.76Å; E161-L164 VanDerWaalsContact O-N 3.12Å; E161-T165 PolarHBondContact O-N 3.03Å; E161-T165 PolarHBondContact O-OG1 2.68Å |
| 162 | K | 86.1 | Confident | 78.5 | Confident | 151 Ų | 151 | 144.8 Ų | 144.8 | 66% | 0.657 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -60.7 | -36.7 | 178.1 | -170.7 | 179.7 | -179.5 | -179.1 | 0 | 113.1 | F158 E159 | F158-K162 WeakPolarHBondContact O-CB 3.35Å; F158-K162 PolarHBondContact O-N 2.97Å; E159-K162 PolarHBondContact O-N 3.36Å |
| 163 | Q | 81.3 | Confident | 77.7 | Confident | 159 Ų | 159 | 147 Ų | 147 | 74% | 0.743 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -71.5 | -31.8 | 176.5 | -71.5 | 175.7 | 27 | 0 | 0 | 112.7 | E159 R160 E161 T165 | E159-Q163 WeakPolarHBondContact O-CG 3.46Å; E159-Q163 PolarHBondContact O-N 3.23Å; R160-Q163 PolarHBondContact O-N 3.43Å; E161-Q163 VanDerWaalsContact C-N 3.31Å; E161-Q163 PolarHBondContact O-N 3.01Å; Q163-T165 VanDerWaalsContact C-N 3.35Å |
| 164 | L | 75.8 | Confident | 76.9 | Confident | 154 Ų | 154 | 148.4 Ų | 148.4 | 81% | 0.806 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -84.1 | -9.8 | 177.1 | -68.1 | 168.9 | 0 | 0 | 0 | 113.2 | R160 E161 A166 | R160-L164 WeakPolarHBondContact O-CG 3.01Å; R160-L164 PolarHBondContact O-N 2.91Å; R160-L164 VanDerWaalsContact O-N 3.1Å; E161-L164 CarbonylContact O-C 3.58Å; E161-L164 PolarHBondContact O-N 2.76Å; E161-L164 VanDerWaalsContact O-N 3.12Å; L164-A166 PolarHBondContact O-N 2.97Å |
| 165 | T | 75.2 | Confident | 75.9 | Confident | 88 Ų | 88 | 148.7 Ų | 148.7 | 54% | 0.54 | 73% | 0.729 | S | S | . | * | S | Bend | trans | -71.8 | 113.6 | 176.9 | -43.2 | 0 | 0 | 0 | 0 | 109.5 | E161 Q163 R167 | E161-T165 PolarHBondContact O-N 3.03Å; E161-T165 PolarHBondContact O-OG1 2.68Å; Q163-T165 VanDerWaalsContact C-N 3.35Å; T165-R167 PolarHBondContact O-N 2.69Å |
| 166 | A | 66.9 | Low | 75 | Confident | 92 Ų | 92 | 150.3 Ų | 150.3 | 76% | 0.76 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 123.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L164 | L164-A166 PolarHBondContact O-N 2.97Š|
| 167 | R | 64.6 | Low | 73.8 | Confident | 237 Ų | 237 | 152.2 Ų | 152.2 | 89% | 0.894 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -72 | 126.8 | 173.1 | -70.9 | -168.9 | 175.3 | -156.1 | -0.2 | 109 | T165 A169 | T165-R167 PolarHBondContact O-N 2.69Å; R167-A169 PolarHBondContact O-N 2.99Å |
| 168 | P | 65.7 | Low | 72.6 | Confident | 122 Ų | 122 | 153.7 Ų | 153.7 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 128.7 | 177.3 | -20.7 | 30.9 | 0 | 0 | 0 | 110.1 | K170 | P168-K170 PolarHBondContact O-N 2.95Š|
| 169 | A | 56.4 | Low | 71.4 | Confident | 94 Ų | 94 | 155.1 Ų | 155.1 | 78% | 0.777 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 127.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | R167 R171 | R167-A169 PolarHBondContact O-N 2.99Å; A169-R171 PolarHBondContact O-N 3.06Å |
| 170 | K | 60.4 | Low | 70.1 | Confident | 207 Ų | 207 | 159.1 Ų | 159.1 | 90% | 0.9 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 121.2 | 174.7 | -66.9 | -172.6 | -179.8 | -174.2 | 0 | 108.3 | P168 T172 | P168-K170 PolarHBondContact O-N 2.95Å; K170-T172 PolarHBondContact O-N 2.8Å |
| 171 | R | 58.7 | Low | 68.6 | Low | 247 Ų | 247 | 157.5 Ų | 157.5 | 93% | 0.932 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 119.9 | 170.6 | -68.7 | -176.3 | 177.1 | 173.8 | -1.2 | 107.9 | A169 | A169-R171 PolarHBondContact O-N 3.06Š|
| 172 | T | 45.8 | Very low | 67 | Low | 212 Ų | 212 | 160.3 Ų | 160.3 | 100% | 1.301 | 83% | 0.827 | S | S | * | * | trans | -56 | 0 | 166.3 | 30.4 | 0 | 0 | 0 | 0 | 112.2 | K170 | K170-T172 PolarHBondContact O-N 2.8Š|
Retrieved 172 of 172 residues in 57.5 ms
(Link to these results)