| 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 | 40.1 | Very low | 29.8 | Very low | 239 Ų | 239 | 158.6 Ų | 158.6 | 100% | 1.177 | 81% | 0.814 | S | S | * | * | 0 | 93.3 | 0 | -66.7 | 177.4 | 170.4 | 0 | 0 | 105 | |||||
| 2 | Q | 28.1 | Very low | 29.8 | Very low | 168 Ų | 168 | 153.5 Ų | 153.5 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | 60.1 | 136.1 | 64.2 | -143.1 | 179 | 25.2 | 0 | 0 | 112.1 | |||||
| 3 | M | 28.3 | Very low | 29.6 | Very low | 141 Ų | 141 | 153.9 Ų | 153.9 | 70% | 0.695 | 80% | 0.8 | S | S | * | * | trans | 85.5 | 130.4 | 171 | -52.1 | -58.1 | -174.7 | 0 | 0 | 114.1 | ||||
| 4 | D | 30.7 | Very low | 29.5 | Very low | 123 Ų | 123 | 152.6 Ų | 152.6 | 66% | 0.658 | 79% | 0.794 | S | S | * | * | cis | -164.4 | 132.5 | 5.5 | -89.9 | -31.6 | 0 | 0 | 0 | 105.6 | ||||
| 5 | Q | 24.9 | Very low | 29.2 | Very low | 186 Ų | 186 | 147.7 Ų | 147.7 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | 31.2 | 95.4 | 86 | -75.2 | -166.8 | 8.9 | 0 | 0 | 115.9 | |||||
| 6 | V | 33.4 | Very low | 29 | Very low | 138 Ų | 138 | 143.9 Ų | 143.9 | 84% | 0.836 | 77% | 0.774 | S | S | * | * | trans | -132.6 | 122.7 | 139.8 | -176.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 7 | A | 29.2 | Very low | 29.4 | Very low | 73 Ų | 73 | 141.6 Ų | 141.6 | 60% | 0.603 | 78% | 0.779 | S | S | * | * | trans | -82.5 | 136.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 8 | F | 31.3 | Very low | 29.1 | Very low | 205 Ų | 205 | 140.1 Ų | 140.1 | 90% | 0.899 | 78% | 0.775 | S | S | * | * | trans | -120.5 | 94.9 | 148.3 | -98.6 | -92 | 0 | 0 | 0 | 104.2 | ||||
| 9 | H | 28.2 | Very low | 29 | Very low | 176 Ų | 176 | 138.8 Ų | 138.8 | 82% | 0.815 | 77% | 0.771 | S | S | * | * | 37.9 | 100.3 | 80.5 | -84.4 | 52.9 | 0 | 0 | 0 | 113.8 | |||||
| 10 | G | 27.2 | Very low | 28.8 | Very low | 71 Ų | 71 | 140.1 Ų | 140.1 | 73% | 0.732 | 78% | 0.775 | S | S | * | * | trans | 162.4 | 43.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 11 | Y | 26.2 | Very low | 28.7 | Very low | 225 Ų | 225 | 137.4 Ų | 137.4 | 88% | 0.882 | 77% | 0.771 | S | S | * | * | trans | 47.8 | 136.4 | 159.3 | -78.1 | -92.5 | 0 | 0 | 0 | 122.4 | ||||
| 12 | P | 30 | Very low | 27.9 | Very low | 97 Ų | 97 | 135 Ų | 135 | 63% | 0.63 | 76% | 0.756 | S | S | * | * | trans | -88.6 | 155.8 | -178.1 | 38.7 | -31.7 | 0 | 0 | 0 | 110.8 | ||||
| 13 | I | 27.1 | Very low | 27.8 | Very low | 159 Ų | 159 | 134.3 Ų | 134.3 | 82% | 0.815 | 76% | 0.757 | S | S | * | * | trans | -151.2 | 112.3 | 133.3 | -88.3 | 133.4 | 0 | 0 | 0 | 105.9 | ||||
| 14 | N | 28.3 | Very low | 27.5 | Very low | 135 Ų | 135 | 132 Ų | 132 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | trans | 20.1 | 108.5 | 143.3 | -61.3 | -26.7 | 0 | 0 | 0 | 115.3 | ||||
| 15 | A | 25.3 | Very low | 27.3 | Very low | 80 Ų | 80 | 129.9 Ų | 129.9 | 66% | 0.661 | 75% | 0.754 | S | S | * | * | 52.9 | 123.9 | 73.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 16 | S | 25.5 | Very low | 27.3 | Very low | 86 Ų | 86 | 127.2 Ų | 127.2 | 60% | 0.601 | 76% | 0.755 | S | S | * | * | trans | 66.4 | 108.2 | 172.9 | 63.1 | 0 | 0 | 0 | 0 | 112.7 | V18 | S16-V18 PolarHBondContact O-N 2.93Å; S16-V18 VanDerWaalsContact O-N 3.11Å | ||
| 17 | A | 35.4 | Very low | 26.9 | Very low | 105 Ų | 105 | 127.8 Ų | 127.8 | 87% | 0.868 | 75% | 0.751 | S | S | * | * | cis | 36.4 | 33.6 | 44.3 | 0 | 0 | 0 | 0 | 0 | 111 | V19 | A17-V19 VanDerWaalsContact C-N 3.35Å; A17-V19 PolarHBondContact O-N 3.41Å | ||
| 18 | V | 25.5 | Very low | 27 | Very low | 115 Ų | 115 | 131.4 Ų | 131.4 | 70% | 0.697 | 76% | 0.759 | S | S | * | * | trans | -64.6 | 108.6 | 147 | 175.3 | 0 | 0 | 0 | 0 | 103.4 | S16 I20 | S16-V18 PolarHBondContact O-N 2.93Å; S16-V18 VanDerWaalsContact O-N 3.11Å; V18-I20 PolarHBondContact O-N 3.27Å | ||
| 19 | V | 26.4 | Very low | 26.7 | Very low | 116 Ų | 116 | 129.9 Ų | 129.9 | 70% | 0.703 | 76% | 0.758 | S | S | * | * | trans | -41 | 128 | 172.6 | 173.5 | 0 | 0 | 0 | 0 | 109.4 | A17 A21 | A17-V19 VanDerWaalsContact C-N 3.35Å; A17-V19 PolarHBondContact O-N 3.41Å; V19-A21 PolarHBondContact O-N 3.05Å | ||
| 20 | I | 25.4 | Very low | 27.5 | Very low | 164 Ų | 164 | 126.1 Ų | 126.1 | 84% | 0.841 | 75% | 0.752 | S | S | * | * | trans | 23.1 | 93.2 | 149.5 | -53 | 171.5 | 0 | 0 | 0 | 112.8 | V18 | V18-I20 PolarHBondContact O-N 3.27Š| ||
| 21 | A | 25.9 | Very low | 27.5 | Very low | 84 Ų | 84 | 128.1 Ų | 128.1 | 69% | 0.694 | 75% | 0.752 | S | S | * | * | trans | -116.2 | 126.6 | 152.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | V19 L23 | V19-A21 PolarHBondContact O-N 3.05Å; A21-L23 PolarHBondContact O-N 3.46Å | ||
| 22 | E | 23.5 | Very low | 27.5 | Very low | 188 Ų | 188 | 121.9 Ų | 121.9 | 88% | 0.879 | 74% | 0.741 | S | S | * | * | trans | -10.2 | 91.9 | 147.5 | -66.5 | 174.3 | 132.1 | 0 | 0 | 114.4 | ||||
| 23 | L | 25.9 | Very low | 27.3 | Very low | 154 Ų | 154 | 121.5 Ų | 121.5 | 81% | 0.806 | 74% | 0.741 | S | S | * | * | trans | -146.6 | 92 | 144.4 | -78.9 | 177 | 0 | 0 | 0 | 104.8 | A21 | A21-L23 PolarHBondContact O-N 3.46Š| ||
| 24 | S | 22.7 | Very low | 27.4 | Very low | 91 Ų | 91 | 124.8 Ų | 124.8 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | 58.1 | 118.9 | 81.6 | 82.2 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 25 | A | 25.6 | Very low | 27.3 | Very low | 79 Ų | 79 | 124 Ų | 124 | 65% | 0.653 | 74% | 0.744 | S | S | * | * | trans | 53.1 | 83.5 | 132.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 26 | C | 25.9 | Very low | 27.3 | Very low | 131 Ų | 131 | 128.6 Ų | 128.6 | 89% | 0.885 | 75% | 0.746 | S | S | * | * | trans | -130.8 | 93.8 | 135.9 | -75 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 27 | M | 24.6 | Very low | 27.6 | Very low | 150 Ų | 150 | 131 Ų | 131 | 74% | 0.739 | 76% | 0.76 | S | S | * | * | cis | 42.8 | 101.8 | 44.6 | -85.9 | -87.8 | -179.4 | 0 | 0 | 111.2 | ||||
| 28 | L | 31.4 | Very low | 27 | Very low | 148 Ų | 148 | 135 Ų | 135 | 78% | 0.775 | 75% | 0.752 | S | S | * | * | trans | 82.4 | 81.6 | 144 | -56.6 | 160.6 | 0 | 0 | 0 | 117.2 | ||||
| 29 | I | 25.8 | Very low | 27.2 | Very low | 173 Ų | 173 | 134.6 Ų | 134.6 | 89% | 0.887 | 75% | 0.754 | S | S | * | * | trans | -107.2 | 105.4 | 131.4 | -64.2 | 176.7 | 0 | 0 | 0 | 107.2 | ||||
| 30 | S | 43.2 | Very low | 27.3 | Very low | 98 Ų | 98 | 137.6 Ų | 137.6 | 69% | 0.685 | 75% | 0.754 | S | S | * | * | trans | -81.3 | 143.1 | 159.1 | -176.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 31 | P | 29.1 | Very low | 27.4 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | -152.8 | 165.7 | 92.4 | 36 | -16.2 | 0 | 0 | 0 | 116.1 | |||||
| 32 | S | 24.7 | Very low | 27.5 | Very low | 93 Ų | 93 | 137.7 Ų | 137.7 | 65% | 0.65 | 75% | 0.754 | S | S | * | * | trans | 87.1 | 81.5 | 152.1 | -178.5 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 33 | S | 27.3 | Very low | 27.7 | Very low | 90 Ų | 90 | 131.2 Ų | 131.2 | 63% | 0.629 | 74% | 0.737 | S | S | * | * | 37.3 | 95.7 | 123.4 | 55.3 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 34 | Y | 28.4 | Very low | 27.9 | Very low | 227 Ų | 227 | 132.2 Ų | 132.2 | 89% | 0.89 | 74% | 0.742 | S | S | * | * | trans | -176.4 | 71.1 | 149.1 | -103.3 | -77.5 | 0 | 0 | 0 | 105.9 | ||||
| 35 | V | 25.8 | Very low | 28.2 | Very low | 118 Ų | 118 | 130.5 Ų | 130.5 | 72% | 0.715 | 74% | 0.738 | S | S | * | * | 48.3 | 94.1 | 95.6 | -174.2 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 36 | Y | 25.5 | Very low | 28.3 | Very low | 177 Ų | 177 | 134.5 Ų | 134.5 | 69% | 0.694 | 75% | 0.749 | S | S | * | * | trans | 70.5 | 111.6 | 162.7 | -77.4 | -89 | 0 | 0 | 0 | 120.5 | R38 | Y36-R38 HydrophobicContact CD1-CB 3.94Å; Y36-R38 HydrophobicContact CD1-CG 4.16Å; Y36-R38 PolarHBondContact O-N 3.16Å; Y36-R38 VanDerWaalsContact O-N 3.15Å | ||
| 37 | P | 31.3 | Very low | 28.3 | Very low | 137 Ų | 137 | 133.5 Ų | 133.5 | 89% | 0.89 | 74% | 0.742 | S | S | * | * | trans | -81 | 76.4 | 143.7 | 33.5 | -25.1 | 0 | 0 | 0 | 108.1 | ||||
| 38 | R | 24.2 | Very low | 28.7 | Very low | 190 Ų | 190 | 131.8 Ų | 131.8 | 72% | 0.717 | 74% | 0.742 | S | S | * | * | trans | -140.7 | 74.4 | 162.5 | -89.8 | -167.3 | 173 | -172.2 | -1.6 | 108.6 | Y36 | Y36-R38 HydrophobicContact CD1-CB 3.94Å; Y36-R38 HydrophobicContact CD1-CG 4.16Å; Y36-R38 PolarHBondContact O-N 3.16Å; Y36-R38 VanDerWaalsContact O-N 3.15Å | ||
| 39 | S | 28.6 | Very low | 28.5 | Very low | 105 Ų | 105 | 127.2 Ų | 127.2 | 73% | 0.734 | 73% | 0.73 | S | S | * | * | trans | -146.9 | 100.2 | 143.4 | 36.1 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 40 | Y | 28.7 | Very low | 28.8 | Very low | 179 Ų | 179 | 125.2 Ų | 125.2 | 70% | 0.702 | 72% | 0.72 | S | S | * | * | 41.1 | 78.8 | 87.9 | -65.1 | -57.1 | 0 | 0 | 0 | 111.2 | V42 | Y40-V42 HydrophobicContact CD1-CB 4.42Å; Y40-V42 HydrophobicContact CD1-CG2 3.14Å; Y40-V42 HydrophobicContact CE1-CG2 3.74Å; Y40-V42 HydrophobicContact CG-CG2 3.81Å | |||
| 41 | T | 26.7 | Very low | 28.1 | Very low | 136 Ų | 136 | 127.7 Ų | 127.7 | 83% | 0.834 | 73% | 0.726 | S | S | * | * | -84.5 | 87.7 | 111 | 40.6 | 0 | 0 | 0 | 0 | 106.5 | |||||
| 42 | V | 28.5 | Very low | 28.4 | Very low | 114 Ų | 114 | 126.6 Ų | 126.6 | 69% | 0.691 | 72% | 0.721 | S | S | * | * | trans | -52.3 | 133.7 | 140.2 | 170.9 | 0 | 0 | 0 | 0 | 106.4 | Y40 | Y40-V42 HydrophobicContact CD1-CB 4.42Å; Y40-V42 HydrophobicContact CD1-CG2 3.14Å; Y40-V42 HydrophobicContact CE1-CG2 3.74Å; Y40-V42 HydrophobicContact CG-CG2 3.81Å | ||
| 43 | G | 28.7 | Very low | 28.9 | Very low | 52 Ų | 52 | 127.8 Ų | 127.8 | 54% | 0.536 | 72% | 0.724 | S | S | . | * | trans | 82.9 | 91.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 44 | I | 30 | Very low | 29.5 | Very low | 175 Ų | 175 | 133.6 Ų | 133.6 | 90% | 0.897 | 73% | 0.733 | S | S | * | * | S | Bend | -134.7 | 119.3 | 62.4 | -52.5 | 179.9 | 0 | 0 | 0 | 107.2 | |||
| 45 | G | 27.2 | Very low | 29.9 | Very low | 55 Ų | 55 | 129.5 Ų | 129.5 | 57% | 0.567 | 72% | 0.722 | S | S | * | * | trans | -52.1 | 141 | -156.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | C47 | G45-C47 PolarHBondContact O-N 3.4Š| ||
| 46 | N | 29.2 | Very low | 30.5 | Very low | 164 Ų | 164 | 128.2 Ų | 128.2 | 88% | 0.877 | 71% | 0.714 | S | S | * | * | trans | -53.9 | 90.8 | 135.1 | -94.4 | -0.3 | 0 | 0 | 0 | 106.2 | P48 | N46-P48 WeakPolarHBondContact O-CD 3.31Š| ||
| 47 | C | 25.9 | Very low | 31.3 | Very low | 109 Ų | 109 | 123.4 Ų | 123.4 | 74% | 0.736 | 70% | 0.703 | S | S | * | * | trans | -78.3 | 93.6 | 141.9 | -69.9 | 0 | 0 | 0 | 0 | 105.6 | G45 G49 | G45-C47 PolarHBondContact O-N 3.4Å; C47-G49 PolarHBondContact O-N 3.32Å | ||
| 48 | P | 31.5 | Very low | 31.7 | Very low | 115 Ų | 115 | 123.1 Ų | 123.1 | 75% | 0.747 | 69% | 0.69 | S | S | * | * | -67.5 | 78.5 | 128.5 | 32 | -20.8 | 0 | 0 | 0 | 103.7 | N46 I50 | N46-P48 WeakPolarHBondContact O-CD 3.31Å; P48-I50 PolarHBondContact O-N 3Å | |||
| 49 | G | 28.2 | Very low | 32.6 | Very low | 51 Ų | 51 | 119.4 Ų | 119.4 | 53% | 0.526 | 68% | 0.684 | S | S | . | * | trans | -70 | 84 | -179.9 | 0 | 0 | 0 | 0 | 0 | 106.3 | C47 | C47-G49 PolarHBondContact O-N 3.32Š| ||
| 50 | I | 31.6 | Very low | 33.4 | Very low | 131 Ų | 131 | 120.5 Ų | 120.5 | 67% | 0.672 | 68% | 0.678 | S | S | * | * | trans | 61.4 | 85.1 | 145.5 | -53.1 | 162.2 | 0 | 0 | 0 | 109.3 | P48 S52 | P48-I50 PolarHBondContact O-N 3Å; I50-S52 PolarHBondContact O-N 3.15Å | ||
| 51 | D | 29.4 | Very low | 34.3 | Very low | 151 Ų | 151 | 116.5 Ų | 116.5 | 81% | 0.807 | 67% | 0.669 | S | S | * | * | -8 | 71.2 | 98.2 | -75.7 | -18.2 | 0 | 0 | 0 | 112.3 | T53 | D51-T53 PolarHBondContact O-N 3.39Š| |||
| 52 | S | 34.2 | Very low | 35.4 | Very low | 89 Ų | 89 | 116.5 Ų | 116.5 | 62% | 0.622 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -73.8 | 60.4 | 172.3 | 177.4 | 0 | 0 | 0 | 0 | 108.5 | I50 | I50-S52 PolarHBondContact O-N 3.15Š|
| 53 | T | 36.9 | Very low | 36.6 | Very low | 118 Ų | 118 | 116.3 Ų | 116.3 | 72% | 0.724 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -120.4 | 16 | 167.3 | 32.6 | 0 | 0 | 0 | 0 | 111.4 | D51 | D51-T53 PolarHBondContact O-N 3.39Š|
| 54 | R | 39.8 | Very low | 38 | Very low | 213 Ų | 213 | 118.4 Ų | 118.4 | 80% | 0.804 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -133.8 | 13.7 | 177.5 | -142.1 | -179.5 | 173 | 161 | -0.2 | 118.5 | ||
| 55 | E | 36.2 | Very low | 39.3 | Very low | 141 Ų | 141 | 115.7 Ų | 115.7 | 66% | 0.659 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -115 | -8.8 | 166 | -83.4 | -173.9 | 172.7 | 0 | 0 | 114.3 | T57 Q58 | E55-T57 VanDerWaalsContact C-N 3.27Å; E55-T57 PolarHBondContact O-N 2.94Å; E55-Q58 PolarHBondContact O-N 2.84Å |
| 56 | T | 39.1 | Very low | 40.6 | Very low | 90 Ų | 90 | 119.4 Ų | 119.4 | 55% | 0.552 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -68.1 | -26.3 | 172.5 | 6.5 | 0 | 0 | 0 | 0 | 112.9 | E60 | T56-E60 PolarHBondContact O-N 3.32Å |
| 57 | T | 40.4 | Very low | 42.2 | Very low | 76 Ų | 76 | 116 Ų | 116 | 47% | 0.466 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -73.8 | -27.1 | 173.6 | 44.1 | 0 | 0 | 0 | 0 | 113.2 | E55 D61 | E55-T57 VanDerWaalsContact C-N 3.27Å; E55-T57 PolarHBondContact O-N 2.94Å; T57-D61 VanDerWaalsContact O-CB 3.25Å; T57-D61 WeakPolarHBondContact O-CB 3.45Å; T57-D61 PolarHBondContact O-N 3.46Å |
| 58 | Q | 40 | Very low | 44.1 | Very low | 132 Ų | 132 | 115.5 Ų | 115.5 | 62% | 0.617 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -75.5 | -26.5 | 177.8 | -75.1 | -167 | -2 | 0 | 0 | 113.4 | E55 K62 | E55-Q58 PolarHBondContact O-N 2.84Å; Q58-K62 WeakPolarHBondContact O-CB 3.16Å; Q58-K62 PolarHBondContact O-N 2.9Å |
| 59 | N | 44.3 | Very low | 45.5 | Very low | 111 Ų | 111 | 112.6 Ų | 112.6 | 59% | 0.594 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -82 | -32.5 | 173.8 | -84.8 | -23.8 | 0 | 0 | 0 | 112.5 | I63 | N59-I63 WeakPolarHBondContact O-CD1 3.14Å; N59-I63 VanDerWaalsContact O-CG1 3.23Å; N59-I63 WeakPolarHBondContact O-CG1 3.46Å; N59-I63 PolarHBondContact O-N 2.9Å |
| 60 | E | 44.2 | Very low | 46.5 | Very low | 129 Ų | 129 | 116.5 Ų | 116.5 | 60% | 0.603 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -71.3 | -43.7 | 172.6 | -71.4 | -176.5 | 168 | 0 | 0 | 111.3 | T56 K62 I63 D64 | T56-E60 PolarHBondContact O-N 3.32Å; E60-K62 PolarHBondContact O-N 3.06Å; E60-I63 PolarHBondContact O-N 2.85Å; E60-D64 PolarHBondContact O-N 3.45Å |
| 61 | D | 49.2 | Very low | 47.7 | Very low | 95 Ų | 95 | 116.5 Ų | 116.5 | 51% | 0.508 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -62.1 | -31 | 174.5 | -72.9 | -22 | 0 | 0 | 0 | 112.2 | T57 L65 | T57-D61 VanDerWaalsContact O-CB 3.25Å; T57-D61 WeakPolarHBondContact O-CB 3.45Å; T57-D61 PolarHBondContact O-N 3.46Å; D61-L65 WeakPolarHBondContact O-CB 3.25Å; D61-L65 WeakPolarHBondContact O-CD1 3.29Å; D61-L65 WeakPolarHBondContact O-CG 3.45Å; D61-L65 PolarHBondContact O-N 2.63Å |
| 62 | K | 48.8 | Very low | 49 | Very low | 136 Ų | 136 | 115.6 Ų | 115.6 | 59% | 0.591 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -77 | -35 | 177.8 | -164.5 | 174.3 | -173.9 | -177.3 | 0 | 112.5 | Q58 E60 D64 E66 | Q58-K62 WeakPolarHBondContact O-CB 3.16Å; Q58-K62 PolarHBondContact O-N 2.9Å; E60-K62 PolarHBondContact O-N 3.06Å; K62-D64 VanDerWaalsContact C-N 3.33Å; K62-E66 WeakPolarHBondContact O-CB 3.25Å; K62-E66 PolarHBondContact O-N 3.42Å |
| 63 | I | 53.9 | Low | 49.9 | Very low | 109 Ų | 109 | 114 Ų | 114 | 56% | 0.559 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -66.4 | -39.6 | 172.2 | -68.8 | 165.4 | 0 | 0 | 0 | 109.8 | N59 E60 E66 N67 | N59-I63 WeakPolarHBondContact O-CD1 3.14Å; N59-I63 VanDerWaalsContact O-CG1 3.23Å; N59-I63 WeakPolarHBondContact O-CG1 3.46Å; N59-I63 PolarHBondContact O-N 2.9Å; E60-I63 PolarHBondContact O-N 2.85Å; I63-E66 PolarHBondContact O-N 2.93Å; I63-N67 WeakPolarHBondContact O-CB 3.49Å; I63-N67 PolarHBondContact O-N 3.34Å |
| 64 | D | 57.2 | Low | 50.3 | Low | 96 Ų | 96 | 114 Ų | 114 | 51% | 0.513 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -69.6 | -38.5 | 176.9 | -77.1 | -18.2 | 0 | 0 | 0 | 112.5 | E60 K62 N67 I68 | E60-D64 PolarHBondContact O-N 3.45Å; K62-D64 VanDerWaalsContact C-N 3.33Å; D64-N67 PolarHBondContact O-N 3.15Å; D64-I68 WeakPolarHBondContact O-CB 3.36Å; D64-I68 WeakPolarHBondContact O-CG1 3.22Å; D64-I68 PolarHBondContact O-N 2.79Å |
| 65 | L | 58.5 | Low | 50.7 | Low | 119 Ų | 119 | 107.8 Ų | 107.8 | 62% | 0.623 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.7 | -38.8 | 173.9 | -83.5 | 161.9 | 0 | 0 | 0 | 112.8 | D61 N67 A69 | D61-L65 WeakPolarHBondContact O-CB 3.25Å; D61-L65 WeakPolarHBondContact O-CD1 3.29Å; D61-L65 WeakPolarHBondContact O-CG 3.45Å; D61-L65 PolarHBondContact O-N 2.63Å; L65-N67 VanDerWaalsContact C-N 3.33Å; L65-A69 VanDerWaalsContact O-CB 3.27Å; L65-A69 WeakPolarHBondContact O-CB 3.23Å; L65-A69 PolarHBondContact O-N 2.82Å |
| 66 | E | 54.9 | Low | 51.1 | Low | 132 Ų | 132 | 108.7 Ų | 108.7 | 62% | 0.617 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -70.4 | -32.6 | 178.6 | -145.7 | 168 | -150.9 | 0 | 0 | 111.4 | K62 I63 W70 | K62-E66 WeakPolarHBondContact O-CB 3.25Å; K62-E66 PolarHBondContact O-N 3.42Å; I63-E66 PolarHBondContact O-N 2.93Å; E66-W70 WeakPolarHBondContact O-CB 3.35Å; E66-W70 PolarHBondContact O-N 2.82Å |
| 67 | N | 63 | Low | 51.2 | Low | 94 Ų | 94 | 111.8 Ų | 111.8 | 50% | 0.503 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -76.4 | -37.3 | 176.1 | -145.5 | 12.8 | 0 | 0 | 0 | 112.5 | I63 D64 L65 W70 Q71 | I63-N67 WeakPolarHBondContact O-CB 3.49Å; I63-N67 PolarHBondContact O-N 3.34Å; D64-N67 PolarHBondContact O-N 3.15Å; L65-N67 VanDerWaalsContact C-N 3.33Å; N67-W70 PolarHBondContact O-N 3.38Å; N67-Q71 WeakPolarHBondContact O-CG 3.42Å; N67-Q71 PolarHBondContact O-N 3.12Å |
| 68 | I | 64.9 | Low | 51.2 | Low | 97 Ų | 97 | 115.1 Ų | 115.1 | 50% | 0.497 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.4 | -44.1 | 171.3 | -68.6 | 165.8 | 0 | 0 | 0 | 110 | D64 W70 Q71 Q72 | D64-I68 WeakPolarHBondContact O-CB 3.36Å; D64-I68 WeakPolarHBondContact O-CG1 3.22Å; D64-I68 PolarHBondContact O-N 2.79Å; I68-W70 VanDerWaalsContact C-N 3.32Å; I68-W70 PolarHBondContact O-N 2.83Å; I68-Q71 PolarHBondContact O-N 2.84Å; I68-Q72 WeakPolarHBondContact O-CB 3.49Å; I68-Q72 PolarHBondContact O-N 3.35Å |
| 69 | A | 59.9 | Low | 51.2 | Low | 55 Ų | 55 | 116.6 Ų | 116.6 | 46% | 0.455 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -62.8 | -38.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | L65 Q72 A73 | L65-A69 VanDerWaalsContact O-CB 3.27Å; L65-A69 WeakPolarHBondContact O-CB 3.23Å; L65-A69 PolarHBondContact O-N 2.82Å; A69-Q72 PolarHBondContact O-N 3.23Å; A69-A73 VanDerWaalsContact O-CB 3.31Å; A69-A73 WeakPolarHBondContact O-CB 3.19Å; A69-A73 PolarHBondContact O-N 3.44Å |
| 70 | W | 50.3 | Low | 50.8 | Low | 132 Ų | 132 | 119.1 Ų | 119.1 | 50% | 0.5 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -67 | -42.4 | 174.3 | -111.7 | 96.2 | 0 | 0 | 0 | 113 | E66 N67 I68 Q72 A73 Q74 | E66-W70 WeakPolarHBondContact O-CB 3.35Å; E66-W70 PolarHBondContact O-N 2.82Å; N67-W70 PolarHBondContact O-N 3.38Å; I68-W70 VanDerWaalsContact C-N 3.32Å; I68-W70 PolarHBondContact O-N 2.83Å; W70-Q72 VanDerWaalsContact C-N 3.33Å; W70-A73 PolarHBondContact O-N 3.46Å; W70-Q74 HydrophobicContact CE3-CG 4.07Å; W70-Q74 HydrophobicContact CZ3-CG 4.06Å; W70-Q74 PolarHBondContact O-N 2.93Å |
| 71 | Q | 56.3 | Low | 50.2 | Low | 131 Ų | 131 | 116.2 Ų | 116.2 | 61% | 0.612 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -67.2 | -34.6 | 175.7 | -76.5 | -176.7 | -5.1 | 0 | 0 | 112.2 | N67 I68 S75 | N67-Q71 WeakPolarHBondContact O-CG 3.42Å; N67-Q71 PolarHBondContact O-N 3.12Å; I68-Q71 PolarHBondContact O-N 2.84Å; Q71-S75 WeakPolarHBondContact O-CB 3.49Å; Q71-S75 PolarHBondContact O-N 2.93Å |
| 72 | Q | 57 | Low | 49.6 | Very low | 133 Ų | 133 | 119.5 Ų | 119.5 | 62% | 0.621 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -72.5 | -36.9 | 176.6 | -141.2 | 169.6 | 17.2 | 0 | 0 | 111.8 | I68 A69 W70 S75 M76 | I68-Q72 WeakPolarHBondContact O-CB 3.49Å; I68-Q72 PolarHBondContact O-N 3.35Å; A69-Q72 PolarHBondContact O-N 3.23Å; W70-Q72 VanDerWaalsContact C-N 3.33Å; Q72-S75 PolarHBondContact O-N 3.4Å; Q72-M76 WeakPolarHBondContact O-CG 3.49Å; Q72-M76 PolarHBondContact O-N 3.2Å |
| 73 | A | 52.1 | Low | 48.8 | Very low | 56 Ų | 56 | 120.1 Ų | 120.1 | 46% | 0.463 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -67.2 | -36.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A69 W70 | A69-A73 VanDerWaalsContact O-CB 3.31Å; A69-A73 WeakPolarHBondContact O-CB 3.19Å; A69-A73 PolarHBondContact O-N 3.44Å; W70-A73 PolarHBondContact O-N 3.46Å |
| 74 | Q | 46.3 | Very low | 47.7 | Very low | 117 Ų | 117 | 124.2 Ų | 124.2 | 55% | 0.547 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -74 | -30.5 | 173.6 | -81.2 | -168.5 | -15.9 | 0 | 0 | 113.4 | W70 | W70-Q74 HydrophobicContact CE3-CG 4.07Å; W70-Q74 HydrophobicContact CZ3-CG 4.06Å; W70-Q74 PolarHBondContact O-N 2.93Å |
| 75 | S | 48.5 | Very low | 46.5 | Very low | 83 Ų | 83 | 125.1 Ų | 125.1 | 58% | 0.58 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -68.8 | -37.1 | 173.8 | -171.7 | 0 | 0 | 0 | 0 | 111.9 | Q71 Q72 Q77 | Q71-S75 WeakPolarHBondContact O-CB 3.49Å; Q71-S75 PolarHBondContact O-N 2.93Å; Q72-S75 PolarHBondContact O-N 3.4Å; S75-Q77 VanDerWaalsContact C-N 3.31Å; S75-Q77 PolarHBondContact O-N 3.05Å |
| 76 | M | 44.2 | Very low | 45.2 | Very low | 159 Ų | 159 | 126 Ų | 126 | 78% | 0.783 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -8.2 | -179.4 | -69.5 | -133.5 | 133.8 | 0 | 0 | 115.4 | Q72 | Q72-M76 WeakPolarHBondContact O-CG 3.49Å; Q72-M76 PolarHBondContact O-N 3.2Å |
| 77 | Q | 41.3 | Very low | 44.3 | Very low | 155 Ų | 155 | 128.5 Ų | 128.5 | 72% | 0.724 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | -8.6 | 177.6 | -83.2 | -172.1 | -18 | 0 | 0 | 115.1 | S75 | S75-Q77 VanDerWaalsContact C-N 3.31Å; S75-Q77 PolarHBondContact O-N 3.05Å |
| 78 | N | 39.4 | Very low | 42.6 | Very low | 146 Ų | 146 | 130.2 Ų | 130.2 | 78% | 0.781 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -110.3 | 5.9 | -174.2 | -83.1 | -20 | 0 | 0 | 0 | 116.6 | ||
| 79 | E | 40.6 | Very low | 40.9 | Very low | 164 Ų | 164 | 130.4 Ų | 130.4 | 77% | 0.766 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -107.2 | 4.1 | 178.2 | -79.8 | -161.1 | 152.8 | 0 | 0 | 116.7 | G81 | E79-G81 VanDerWaalsContact C-N 3.32Å; E79-G81 PolarHBondContact O-N 3.48Å |
| 80 | N | 36.5 | Very low | 39.4 | Very low | 164 Ų | 164 | 134.4 Ų | 134.4 | 88% | 0.877 | 73% | 0.728 | S | S | * | * | trans | -94.5 | 44.8 | 176.1 | -78.1 | -21 | 0 | 0 | 0 | 114.1 | ||||
| 81 | G | 31.6 | Very low | 38.3 | Very low | 68 Ų | 68 | 131.1 Ų | 131.1 | 70% | 0.701 | 74% | 0.735 | S | S | * | * | trans | -115.2 | 41.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | E79 | E79-G81 VanDerWaalsContact C-N 3.32Å; E79-G81 PolarHBondContact O-N 3.48Å | ||
| 82 | L | 36.3 | Very low | 37.2 | Very low | 163 Ų | 163 | 133 Ų | 133 | 85% | 0.853 | 75% | 0.749 | S | S | * | * | trans | -79.9 | 122.2 | 174.8 | -82.7 | 168 | 0 | 0 | 0 | 111 | E84 | L82-E84 PolarHBondContact O-N 2.9Š| ||
| 83 | N | 31.4 | Very low | 36.1 | Very low | 149 Ų | 149 | 130.7 Ų | 130.7 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | trans | -60.2 | 108.7 | 170.9 | -72.4 | -51.3 | 0 | 0 | 0 | 111.2 | T85 | N83-T85 PolarHBondContact O-N 3.46Š| ||
| 84 | E | 31.6 | Very low | 35.3 | Very low | 196 Ų | 196 | 136.8 Ų | 136.8 | 92% | 0.916 | 78% | 0.777 | S | S | * | * | trans | -87.4 | 88.1 | 159.6 | -76.9 | -172.8 | 164.4 | 0 | 0 | 110 | L82 | L82-E84 PolarHBondContact O-N 2.9Š| ||
| 85 | T | 31.3 | Very low | 34.5 | Very low | 115 Ų | 115 | 137.5 Ų | 137.5 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | trans | -63.5 | 116 | 138.6 | 43.6 | 0 | 0 | 0 | 0 | 108.7 | N83 | N83-T85 PolarHBondContact O-N 3.46Š| ||
| 86 | N | 32.6 | Very low | 33.7 | Very low | 138 Ų | 138 | 137.4 Ų | 137.4 | 74% | 0.738 | 80% | 0.801 | S | S | * | * | trans | 160.1 | 93.4 | 144.6 | -85.5 | -22.6 | 0 | 0 | 0 | 110.9 | ||||
| 87 | L | 34.8 | Very low | 33.1 | Very low | 184 Ų | 184 | 137.3 Ų | 137.3 | 96% | 0.963 | 80% | 0.804 | S | S | * | * | trans | -148.1 | 78.8 | 142.3 | -79.6 | -174.9 | 0 | 0 | 0 | 108.4 | ||||
| 88 | T | 27 | Very low | 32.7 | Very low | 130 Ų | 130 | 137.7 Ų | 137.7 | 80% | 0.798 | 81% | 0.811 | S | S | * | * | trans | -79.7 | 128 | 146.3 | 8.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 89 | S | 29.6 | Very low | 32.4 | Very low | 101 Ų | 101 | 134.2 Ų | 134.2 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | trans | -177.3 | 121.2 | 142.1 | -162.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 90 | T | 27.8 | Very low | 31.9 | Very low | 138 Ų | 138 | 135.8 Ų | 135.8 | 85% | 0.847 | 81% | 0.813 | S | S | * | * | trans | 53.5 | 138.3 | 141.1 | 55 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 91 | G | 27.7 | Very low | 31.8 | Very low | 63 Ų | 63 | 137.3 Ų | 137.3 | 65% | 0.649 | 82% | 0.815 | S | S | * | * | cis | -158.4 | 159.8 | 4.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 92 | D | 32.9 | Very low | 32 | Very low | 172 Ų | 172 | 139 Ų | 139 | 92% | 0.92 | 82% | 0.822 | S | S | * | * | -148.3 | 134.1 | 88.6 | -89.9 | -31.3 | 0 | 0 | 0 | 112.5 | |||||
| 93 | A | 34.1 | Very low | 31.8 | Very low | 84 Ų | 84 | 136.1 Ų | 136.1 | 69% | 0.694 | 82% | 0.822 | S | S | * | * | trans | -82.4 | 128.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 94 | L | 35.3 | Very low | 32 | Very low | 184 Ų | 184 | 133.6 Ų | 133.6 | 96% | 0.963 | 82% | 0.821 | S | S | * | * | trans | -101.9 | 88.6 | 153.9 | -84.8 | 162.1 | 0 | 0 | 0 | 107.9 | ||||
| 95 | T | 30.8 | Very low | 32 | Very low | 132 Ų | 132 | 133.6 Ų | 133.6 | 81% | 0.81 | 82% | 0.822 | S | S | * | * | trans | -84 | 136.7 | 161.2 | 41.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 96 | G | 30.6 | Very low | 32.4 | Very low | 80 Ų | 80 | 140.2 Ų | 140.2 | 83% | 0.825 | 83% | 0.834 | S | S | * | * | trans | 178.1 | 65 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 97 | N | 31.2 | Very low | 32.9 | Very low | 157 Ų | 157 | 136.8 Ų | 136.8 | 84% | 0.84 | 83% | 0.831 | S | S | * | * | trans | -69.7 | 134.1 | 161.9 | -120.3 | -9.1 | 0 | 0 | 0 | 109.3 | ||||
| 98 | N | 33.2 | Very low | 33.6 | Very low | 164 Ų | 164 | 131.9 Ų | 131.9 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | -175.1 | 128.8 | 127.1 | -92.6 | -16.8 | 0 | 0 | 0 | 111.3 | |||||
| 99 | G | 32.6 | Very low | 35.3 | Very low | 72 Ų | 72 | 130.9 Ų | 130.9 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | trans | -88.3 | 178.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 100 | K | 31.4 | Very low | 36.9 | Very low | 198 Ų | 198 | 133.2 Ų | 133.2 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | trans | 86.6 | 99.3 | 170.2 | -60.7 | -176.5 | 178.7 | 178.3 | 0 | 116.5 | ||||
| 101 | H | 33.4 | Very low | 38.9 | Very low | 196 Ų | 196 | 129.6 Ų | 129.6 | 91% | 0.907 | 79% | 0.786 | S | S | * | * | -151.2 | 123.9 | 109.6 | -91.2 | -63.4 | 0 | 0 | 0 | 110.7 | |||||
| 102 | A | 36 | Very low | 40.9 | Very low | 103 Ų | 103 | 131.7 Ų | 131.7 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | trans | -85.4 | 125 | 164.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 103 | A | 32.8 | Very low | 42.9 | Very low | 103 Ų | 103 | 128.8 Ų | 128.8 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | trans | -155.5 | 133.2 | 153.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 104 | A | 34.5 | Very low | 45.1 | Very low | 95 Ų | 95 | 129.1 Ų | 129.1 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | trans | -72.9 | 149.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 105 | Q | 32.8 | Very low | 47.2 | Very low | 197 Ų | 197 | 126 Ų | 126 | 92% | 0.921 | 74% | 0.739 | S | S | * | * | 168.7 | 149.7 | 121.7 | -91.1 | -178.7 | 0.9 | 0 | 0 | 112.5 | |||||
| 106 | R | 38.4 | Very low | 49.6 | Very low | 254 Ų | 254 | 124.1 Ų | 124.1 | 96% | 0.958 | 72% | 0.724 | S | S | * | * | trans | -71.1 | 143.4 | 178.2 | -65.1 | 172.8 | -177.3 | -180 | -0.5 | 112 | ||||
| 107 | G | 44 | Very low | 52.1 | Low | 66 Ų | 66 | 123.7 Ų | 123.7 | 68% | 0.68 | 71% | 0.707 | S | S | * | * | trans | -179.6 | 131.7 | 160.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 108 | S | 50 | Low | 54.7 | Low | 81 Ų | 81 | 120.4 Ų | 120.4 | 57% | 0.566 | 69% | 0.689 | S | S | * | * | trans | 78.1 | 139.9 | 154.2 | -168.5 | 0 | 0 | 0 | 0 | 124.1 | E110 S111 | S108-E110 PolarHBondContact OG-N 2.8Å; S108-S111 WeakPolarHBondContact O-CB 3.32Å | ||
| 109 | V | 62.3 | Low | 57.1 | Low | 109 Ų | 109 | 116.5 Ų | 116.5 | 66% | 0.661 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -74.9 | -31.5 | 174.2 | 173.5 | 0 | 0 | 0 | 0 | 113.1 | S111 L112 L113 | V109-S111 PolarHBondContact O-N 2.92Å; V109-L112 WeakPolarHBondContact O-CA 3.48Å; V109-L112 VanDerWaalsContact O-CB 3.25Å; V109-L112 WeakPolarHBondContact O-CB 3.36Å; V109-L112 PolarHBondContact O-N 3.31Å; V109-L113 PolarHBondContact O-N 2.84Å; V109-L113 VanDerWaalsContact O-N 3.16Å |
| 110 | E | 62.9 | Low | 59.7 | Low | 150 Ų | 150 | 119.5 Ų | 119.5 | 70% | 0.701 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -63.8 | -32.5 | 172.5 | -79.9 | 172.6 | 145.3 | 0 | 0 | 111.3 | S108 L112 L113 V114 | S108-E110 PolarHBondContact OG-N 2.8Å; E110-L112 PolarHBondContact O-N 3.35Å; E110-L113 PolarHBondContact O-N 2.87Å; E110-V114 WeakPolarHBondContact O-CB 3.36Å; E110-V114 VanDerWaalsContact O-CG2 3.31Å; E110-V114 WeakPolarHBondContact O-CG2 3.41Å; E110-V114 PolarHBondContact O-N 3.33Å |
| 111 | S | 69.3 | Low | 62.3 | Low | 62 Ų | 62 | 115 Ų | 115 | 43% | 0.434 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -59.5 | -37.9 | 170.5 | -172.7 | 0 | 0 | 0 | 0 | 111.1 | S108 V109 Q115 | S108-S111 WeakPolarHBondContact O-CB 3.32Å; V109-S111 PolarHBondContact O-N 2.92Å; S111-Q115 WeakPolarHBondContact O-CB 3.31Å; S111-Q115 PolarHBondContact O-N 3.43Å |
| 112 | L | 69.9 | Low | 64.9 | Low | 106 Ų | 106 | 111.6 Ų | 111.6 | 56% | 0.555 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -69.4 | -45 | 178.8 | -109.3 | 145.3 | 0 | 0 | 0 | 112.9 | V109 E110 Q115 D116 | V109-L112 WeakPolarHBondContact O-CA 3.48Å; V109-L112 VanDerWaalsContact O-CB 3.25Å; V109-L112 WeakPolarHBondContact O-CB 3.36Å; V109-L112 PolarHBondContact O-N 3.31Å; E110-L112 PolarHBondContact O-N 3.35Å; L112-Q115 CarbonylContact O-C 3.57Å; L112-Q115 WeakPolarHBondContact O-CA 3.4Å; L112-Q115 WeakPolarHBondContact O-CB 3.36Å; L112-Q115 PolarHBondContact O-N 2.86Å; L112-Q115 VanDerWaalsContact O-N 3.15Å; L112-D116 PolarHBondContact O-N 3.21Å |
| 113 | L | 75.5 | Confident | 67.4 | Low | 111 Ų | 111 | 109.2 Ų | 109.2 | 58% | 0.581 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -67.3 | -40.9 | 177.3 | -84.9 | 165 | 0 | 0 | 0 | 112.7 | V109 E110 Q115 D116 C117 | V109-L113 PolarHBondContact O-N 2.84Å; V109-L113 VanDerWaalsContact O-N 3.16Å; E110-L113 PolarHBondContact O-N 2.87Å; L113-Q115 PolarHBondContact O-N 3.23Å; L113-D116 PolarHBondContact O-N 3.38Å; L113-C117 PolarHBondContact O-N 3.01Å |
| 114 | V | 79.9 | Confident | 70.1 | Confident | 91 Ų | 91 | 109.5 Ų | 109.5 | 55% | 0.552 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -60.6 | -38.3 | 171.4 | 170.5 | 0 | 0 | 0 | 0 | 109.8 | E110 L118 | E110-V114 WeakPolarHBondContact O-CB 3.36Å; E110-V114 VanDerWaalsContact O-CG2 3.31Å; E110-V114 WeakPolarHBondContact O-CG2 3.41Å; E110-V114 PolarHBondContact O-N 3.33Å; V114-L118 HydrophobicContact CG1-CD1 3.82Å; V114-L118 HydrophobicContact CG1-CG 4.34Å; V114-L118 VanDerWaalsContact O-CB 3.25Å; V114-L118 WeakPolarHBondContact O-CB 3.2Å; V114-L118 WeakPolarHBondContact O-CD1 3.24Å; V114-L118 WeakPolarHBondContact O-CG 3.5Å; V114-L118 PolarHBondContact O-N 2.94Å |
| 115 | Q | 79.5 | Confident | 72.7 | Confident | 118 Ų | 118 | 110 Ų | 110 | 55% | 0.551 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -67.5 | -39 | 176.3 | -168.1 | 143.8 | 3 | 0 | 0 | 112.7 | S111 L112 L113 L118 T119 | S111-Q115 WeakPolarHBondContact O-CB 3.31Å; S111-Q115 PolarHBondContact O-N 3.43Å; L112-Q115 CarbonylContact O-C 3.57Å; L112-Q115 WeakPolarHBondContact O-CA 3.4Å; L112-Q115 WeakPolarHBondContact O-CB 3.36Å; L112-Q115 PolarHBondContact O-N 2.86Å; L112-Q115 VanDerWaalsContact O-N 3.15Å; L113-Q115 PolarHBondContact O-N 3.23Å; Q115-L118 PolarHBondContact O-N 2.97Å; Q115-T119 PolarHBondContact O-N 3.08Å; Q115-T119 PolarHBondContact O-OG1 2.95Å |
| 116 | D | 81.6 | Confident | 75.4 | Confident | 93 Ų | 93 | 106.3 Ų | 106.3 | 50% | 0.497 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.3 | -47.7 | 174 | -76.5 | -11.3 | 0 | 0 | 0 | 111.6 | L112 L113 L118 T119 E120 | L112-D116 PolarHBondContact O-N 3.21Å; L113-D116 PolarHBondContact O-N 3.38Å; D116-L118 VanDerWaalsContact C-N 3.31Å; D116-L118 PolarHBondContact O-N 2.87Å; D116-T119 VanDerWaalsContact C-OG1 3.25Å; D116-T119 WeakPolarHBondContact CA-OG1 3.42Å; D116-T119 CarbonylContact O-C 3.6Å; D116-T119 WeakPolarHBondContact O-CA 3.47Å; D116-T119 PolarHBondContact O-N 3.45Å; D116-T119 PolarHBondContact O-OG1 3.23Å; D116-E120 PolarHBondContact O-N 2.82Å |
| 117 | C | 82.5 | Confident | 77.9 | Confident | 71 Ų | 71 | 99.9 Ų | 99.9 | 48% | 0.48 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.6 | -39.8 | 174.2 | -72.9 | 0 | 0 | 0 | 0 | 111.9 | L113 T119 E120 I121 | L113-C117 PolarHBondContact O-N 3.01Å; C117-T119 VanDerWaalsContact C-N 3.29Å; C117-T119 PolarHBondContact O-N 3.13Å; C117-E120 PolarHBondContact O-N 2.95Å; C117-I121 WeakPolarHBondContact O-CB 3.3Å; C117-I121 VanDerWaalsContact O-CG1 3.29Å; C117-I121 WeakPolarHBondContact O-CG1 3.42Å; C117-I121 PolarHBondContact O-N 3.32Å |
| 118 | L | 85.7 | Confident | 80.2 | Confident | 89 Ų | 89 | 102.4 Ų | 102.4 | 47% | 0.466 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.8 | -37.1 | 173.1 | -78 | 168.5 | 0 | 0 | 0 | 111.2 | V114 Q115 D116 H122 | V114-L118 HydrophobicContact CG1-CD1 3.82Å; V114-L118 HydrophobicContact CG1-CG 4.34Å; V114-L118 VanDerWaalsContact O-CB 3.25Å; V114-L118 WeakPolarHBondContact O-CB 3.2Å; V114-L118 WeakPolarHBondContact O-CD1 3.24Å; V114-L118 WeakPolarHBondContact O-CG 3.5Å; V114-L118 PolarHBondContact O-N 2.94Å; Q115-L118 PolarHBondContact O-N 2.97Å; D116-L118 VanDerWaalsContact C-N 3.31Å; D116-L118 PolarHBondContact O-N 2.87Å; L118-H122 WeakPolarHBondContact O-CB 3.38Å; L118-H122 PolarHBondContact O-N 2.98Å; L118-H122 PolarHBondContact O-ND1 3.4Å |
| 119 | T | 84.3 | Confident | 82.1 | Confident | 82 Ų | 82 | 105 Ų | 105 | 50% | 0.503 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.5 | -38 | 174 | 43.9 | 0 | 0 | 0 | 0 | 113.2 | Q115 D116 C117 H122 A123 | Q115-T119 PolarHBondContact O-N 3.08Å; Q115-T119 PolarHBondContact O-OG1 2.95Å; D116-T119 VanDerWaalsContact C-OG1 3.25Å; D116-T119 WeakPolarHBondContact CA-OG1 3.42Å; D116-T119 CarbonylContact O-C 3.6Å; D116-T119 WeakPolarHBondContact O-CA 3.47Å; D116-T119 PolarHBondContact O-N 3.45Å; D116-T119 PolarHBondContact O-OG1 3.23Å; C117-T119 VanDerWaalsContact C-N 3.29Å; C117-T119 PolarHBondContact O-N 3.13Å; T119-H122 WeakPolarHBondContact O-CB 3.43Å; T119-H122 PolarHBondContact O-N 3.41Å; T119-A123 WeakPolarHBondContact O-CB 3.2Å; T119-A123 PolarHBondContact O-N 3.33Å |
| 120 | E | 87.8 | Confident | 83.6 | Confident | 134 Ų | 134 | 104.9 Ų | 104.9 | 63% | 0.626 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -71.2 | -40.5 | 177.1 | -170.5 | 172.6 | -159.2 | 0 | 0 | 112 | D116 C117 H122 A123 L124 | D116-E120 PolarHBondContact O-N 2.82Å; C117-E120 PolarHBondContact O-N 2.95Å; E120-H122 VanDerWaalsContact C-N 3.29Å; E120-H122 PolarHBondContact O-N 3.18Å; E120-A123 WeakPolarHBondContact O-CB 3.46Å; E120-A123 PolarHBondContact O-N 2.9Å; E120-A123 VanDerWaalsContact O-N 3.12Å; E120-L124 PolarHBondContact O-N 2.82Å |
| 121 | I | 86 | Confident | 84.9 | Confident | 104 Ų | 104 | 105.7 Ų | 105.7 | 53% | 0.533 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.2 | -44.3 | 170.3 | -70.6 | 169.9 | 0 | 0 | 0 | 109.8 | C117 A123 L124 H125 | C117-I121 WeakPolarHBondContact O-CB 3.3Å; C117-I121 VanDerWaalsContact O-CG1 3.29Å; C117-I121 WeakPolarHBondContact O-CG1 3.42Å; C117-I121 PolarHBondContact O-N 3.32Å; I121-A123 VanDerWaalsContact C-N 3.32Å; I121-A123 PolarHBondContact O-N 2.91Å; I121-L124 PolarHBondContact O-N 2.83Å; I121-H125 VanDerWaalsContact O-CB 3.23Å; I121-H125 WeakPolarHBondContact O-CB 3.5Å; I121-H125 PolarHBondContact O-N 3.24Å |
| 122 | H | 86.9 | Confident | 86.1 | Confident | 124 Ų | 124 | 107.2 Ų | 107.2 | 57% | 0.574 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -60.4 | -41.4 | 173.8 | -86.7 | 83.7 | 0 | 0 | 0 | 111.8 | L118 T119 E120 H125 Q126 | L118-H122 WeakPolarHBondContact O-CB 3.38Å; L118-H122 PolarHBondContact O-N 2.98Å; L118-H122 PolarHBondContact O-ND1 3.4Å; T119-H122 WeakPolarHBondContact O-CB 3.43Å; T119-H122 PolarHBondContact O-N 3.41Å; E120-H122 VanDerWaalsContact C-N 3.29Å; E120-H122 PolarHBondContact O-N 3.18Å; H122-H125 PolarHBondContact O-N 2.99Å; H122-Q126 WeakPolarHBondContact O-CB 3.29Å; H122-Q126 PolarHBondContact O-N 3.37Å |
| 123 | A | 88.5 | Confident | 87.1 | Confident | 54 Ų | 54 | 104.1 Ų | 104.1 | 45% | 0.446 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.7 | -40.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | T119 E120 I121 Q126 K127 | T119-A123 WeakPolarHBondContact O-CB 3.2Å; T119-A123 PolarHBondContact O-N 3.33Å; E120-A123 WeakPolarHBondContact O-CB 3.46Å; E120-A123 PolarHBondContact O-N 2.9Å; E120-A123 VanDerWaalsContact O-N 3.12Å; I121-A123 VanDerWaalsContact C-N 3.32Å; I121-A123 PolarHBondContact O-N 2.91Å; A123-Q126 VanDerWaalsContact O-CB 3.31Å; A123-Q126 WeakPolarHBondContact O-CB 3.49Å; A123-Q126 PolarHBondContact O-N 3.47Å; A123-K127 PolarHBondContact O-N 2.85Å |
| 124 | L | 88.7 | Confident | 87.9 | Confident | 108 Ų | 108 | 102.8 Ų | 102.8 | 57% | 0.565 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.4 | -41.2 | 173.3 | -80.2 | 170.4 | 0 | 0 | 0 | 111.6 | E120 I121 Q126 K127 L128 | E120-L124 PolarHBondContact O-N 2.82Å; I121-L124 PolarHBondContact O-N 2.83Å; L124-Q126 VanDerWaalsContact C-N 3.26Å; L124-Q126 PolarHBondContact O-N 2.94Å; L124-K127 PolarHBondContact O-N 3.38Å; L124-L128 WeakPolarHBondContact O-CB 3.47Å; L124-L128 PolarHBondContact O-N 2.91Å |
| 125 | H | 89.5 | Confident | 88.5 | Confident | 105 Ų | 105 | 104.8 Ų | 104.8 | 49% | 0.486 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.4 | -34.4 | 174.9 | -157.5 | 98.9 | 0 | 0 | 0 | 111.2 | I121 H122 K129 | I121-H125 VanDerWaalsContact O-CB 3.23Å; I121-H125 WeakPolarHBondContact O-CB 3.5Å; I121-H125 PolarHBondContact O-N 3.24Å; H122-H125 PolarHBondContact O-N 2.99Å; H125-K129 WeakPolarHBondContact O-CG 3.47Å; H125-K129 PolarHBondContact O-N 3.35Å |
| 126 | Q | 90.6 | Very high | 89.2 | Confident | 120 Ų | 120 | 104.6 Ų | 104.6 | 56% | 0.561 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.6 | -48.2 | 171.2 | -157.6 | 106.4 | -4.6 | 0 | 0 | 111 | H122 A123 L124 L128 K129 E130 | H122-Q126 WeakPolarHBondContact O-CB 3.29Å; H122-Q126 PolarHBondContact O-N 3.37Å; A123-Q126 VanDerWaalsContact O-CB 3.31Å; A123-Q126 WeakPolarHBondContact O-CB 3.49Å; A123-Q126 PolarHBondContact O-N 3.47Å; L124-Q126 VanDerWaalsContact C-N 3.26Å; L124-Q126 PolarHBondContact O-N 2.94Å; Q126-L128 PolarHBondContact O-N 3.04Å; Q126-K129 WeakPolarHBondContact O-CB 3.27Å; Q126-K129 PolarHBondContact O-N 3.35Å; Q126-E130 WeakPolarHBondContact O-CG 3.44Å; Q126-E130 PolarHBondContact O-N 3.33Å |
| 127 | K | 89.9 | Confident | 89.7 | Confident | 119 Ų | 119 | 106.2 Ų | 106.2 | 52% | 0.517 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.8 | -40 | 175.2 | -79.1 | -174.2 | 176.1 | 179.7 | 0 | 113.1 | A123 L124 K129 E130 Y131 | A123-K127 PolarHBondContact O-N 2.85Å; L124-K127 PolarHBondContact O-N 3.38Å; K127-K129 VanDerWaalsContact C-N 3.29Å; K127-K129 PolarHBondContact O-N 2.94Å; K127-E130 CarbonylContact O-C 3.59Å; K127-E130 WeakPolarHBondContact O-CB 3.22Å; K127-E130 PolarHBondContact O-N 3.02Å; K127-E130 VanDerWaalsContact O-N 3.13Å; K127-Y131 WeakPolarHBondContact O-CD2 3.39Å; K127-Y131 PolarHBondContact O-N 3.31Å |
| 128 | L | 92.4 | Very high | 90.3 | Very high | 120 Ų | 120 | 107.4 Ų | 107.4 | 63% | 0.628 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.4 | -40.3 | 176.8 | -161.9 | 90.1 | 0 | 0 | 0 | 110.5 | L124 Q126 E130 Y131 L132 | L124-L128 WeakPolarHBondContact O-CB 3.47Å; L124-L128 PolarHBondContact O-N 2.91Å; Q126-L128 PolarHBondContact O-N 3.04Å; L128-E130 VanDerWaalsContact C-N 3.33Å; L128-Y131 PolarHBondContact O-N 3.43Å; L128-L132 WeakPolarHBondContact O-CB 3.45Å; L128-L132 PolarHBondContact O-N 2.88Å |
| 129 | K | 91.1 | Very high | 90.7 | Very high | 134 Ų | 134 | 110.1 Ų | 110.1 | 58% | 0.583 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.7 | -40.3 | 170.9 | -77 | 178.7 | 175.2 | 180 | 0 | 111.9 | H125 Q126 K127 A133 | H125-K129 WeakPolarHBondContact O-CG 3.47Å; H125-K129 PolarHBondContact O-N 3.35Å; Q126-K129 WeakPolarHBondContact O-CB 3.27Å; Q126-K129 PolarHBondContact O-N 3.35Å; K127-K129 VanDerWaalsContact C-N 3.29Å; K127-K129 PolarHBondContact O-N 2.94Å; K129-A133 WeakPolarHBondContact O-CB 3.46Å; K129-A133 PolarHBondContact O-N 2.89Å |
| 130 | E | 92.5 | Very high | 91.1 | Very high | 108 Ų | 108 | 110.1 Ų | 110.1 | 51% | 0.505 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 174.5 | -69.7 | 166.3 | -171.3 | 0 | 0 | 112.1 | Q126 K127 L128 A133 I134 | Q126-E130 WeakPolarHBondContact O-CG 3.44Å; Q126-E130 PolarHBondContact O-N 3.33Å; K127-E130 CarbonylContact O-C 3.59Å; K127-E130 WeakPolarHBondContact O-CB 3.22Å; K127-E130 PolarHBondContact O-N 3.02Å; K127-E130 VanDerWaalsContact O-N 3.13Å; L128-E130 VanDerWaalsContact C-N 3.33Å; E130-A133 WeakPolarHBondContact O-CB 3.36Å; E130-A133 PolarHBondContact O-N 3.33Å; E130-I134 VanDerWaalsContact O-CG1 3.3Å; E130-I134 WeakPolarHBondContact O-CG1 3.39Å; E130-I134 PolarHBondContact O-N 3.08Å |
| 131 | Y | 91 | Very high | 91.5 | Very high | 167 Ų | 167 | 107.9 Ų | 107.9 | 66% | 0.655 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.6 | -43.3 | 176.7 | -82.3 | -66.4 | 0 | 0 | 0 | 112.5 | K127 L128 A133 I134 E135 | K127-Y131 WeakPolarHBondContact O-CD2 3.39Å; K127-Y131 PolarHBondContact O-N 3.31Å; L128-Y131 PolarHBondContact O-N 3.43Å; Y131-A133 VanDerWaalsContact C-N 3.27Å; Y131-A133 PolarHBondContact O-N 2.8Å; Y131-I134 PolarHBondContact O-N 3.35Å; Y131-E135 PolarHBondContact O-N 3.35Å |
| 132 | L | 93.5 | Very high | 91.9 | Very high | 93 Ų | 93 | 109.8 Ų | 109.8 | 49% | 0.487 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.4 | -38.5 | 175.2 | -169.1 | 72.9 | 0 | 0 | 0 | 110.8 | L128 E135 Q136 | L128-L132 WeakPolarHBondContact O-CB 3.45Å; L128-L132 PolarHBondContact O-N 2.88Å; L132-E135 PolarHBondContact O-N 3.27Å; L132-Q136 WeakPolarHBondContact O-CB 3.49Å; L132-Q136 VanDerWaalsContact O-CG 3.24Å; L132-Q136 WeakPolarHBondContact O-CG 3.2Å; L132-Q136 PolarHBondContact O-N 2.83Å |
| 133 | A | 91.8 | Very high | 92.2 | Very high | 42 Ų | 42 | 107.8 Ų | 107.8 | 35% | 0.347 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.8 | -42.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | K129 E130 Y131 Q136 E137 | K129-A133 WeakPolarHBondContact O-CB 3.46Å; K129-A133 PolarHBondContact O-N 2.89Å; E130-A133 WeakPolarHBondContact O-CB 3.36Å; E130-A133 PolarHBondContact O-N 3.33Å; Y131-A133 VanDerWaalsContact C-N 3.27Å; Y131-A133 PolarHBondContact O-N 2.8Å; A133-Q136 PolarHBondContact O-N 3.15Å; A133-E137 WeakPolarHBondContact O-CG 3.22Å; A133-E137 PolarHBondContact O-N 2.85Å |
| 134 | I | 92.2 | Very high | 92.5 | Very high | 83 Ų | 83 | 111.3 Ų | 111.3 | 43% | 0.426 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 175.7 | -68 | 164 | 0 | 0 | 0 | 111.5 | E130 Y131 Q136 E137 L138 | E130-I134 VanDerWaalsContact O-CG1 3.3Å; E130-I134 WeakPolarHBondContact O-CG1 3.39Å; E130-I134 PolarHBondContact O-N 3.08Å; Y131-I134 PolarHBondContact O-N 3.35Å; I134-Q136 VanDerWaalsContact C-N 3.35Å; I134-E137 WeakPolarHBondContact O-CB 3.34Å; I134-E137 PolarHBondContact O-N 2.84Å; I134-L138 HydrophobicContact CG2-CD1 4.25Å; I134-L138 WeakPolarHBondContact O-CB 3.44Å; I134-L138 PolarHBondContact O-N 2.74Å |
| 135 | E | 92.2 | Very high | 92.7 | Very high | 132 Ų | 132 | 110.5 Ų | 110.5 | 62% | 0.617 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64 | -42 | 177.7 | -170.9 | 177.3 | -170.2 | 0 | 0 | 111.2 | Y131 L132 L138 F139 | Y131-E135 PolarHBondContact O-N 3.35Å; L132-E135 PolarHBondContact O-N 3.27Å; E135-L138 PolarHBondContact O-N 2.92Å; E135-F139 WeakPolarHBondContact O-CB 3.46Å; E135-F139 PolarHBondContact O-N 2.98Å |
| 136 | Q | 93.9 | Very high | 93 | Very high | 115 Ų | 115 | 108.3 Ų | 108.3 | 54% | 0.537 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.5 | -42.8 | 171.8 | -71.8 | 172.4 | -0.7 | 0 | 0 | 111.5 | L132 A133 I134 F139 I140 | L132-Q136 WeakPolarHBondContact O-CB 3.49Å; L132-Q136 VanDerWaalsContact O-CG 3.24Å; L132-Q136 WeakPolarHBondContact O-CG 3.2Å; L132-Q136 PolarHBondContact O-N 2.83Å; A133-Q136 PolarHBondContact O-N 3.15Å; I134-Q136 VanDerWaalsContact C-N 3.35Å; Q136-F139 PolarHBondContact O-N 2.99Å; Q136-I140 WeakPolarHBondContact O-CD1 3.43Å; Q136-I140 WeakPolarHBondContact O-CG1 3.37Å; Q136-I140 PolarHBondContact O-N 3.21Å |
| 137 | E | 93.8 | Very high | 93.2 | Very high | 126 Ų | 126 | 105.3 Ų | 105.3 | 59% | 0.589 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.5 | -43.9 | 174.2 | -78.1 | -178.1 | 179 | 0 | 0 | 112.3 | A133 I134 I140 V141 | A133-E137 WeakPolarHBondContact O-CG 3.22Å; A133-E137 PolarHBondContact O-N 2.85Å; I134-E137 WeakPolarHBondContact O-CB 3.34Å; I134-E137 PolarHBondContact O-N 2.84Å; E137-I140 WeakPolarHBondContact O-CB 3.31Å; E137-I140 PolarHBondContact O-N 2.75Å; E137-V141 VanDerWaalsContact O-CG2 3.29Å; E137-V141 WeakPolarHBondContact O-CG2 3.43Å; E137-V141 PolarHBondContact O-N 3.25Å |
| 138 | L | 93.8 | Very high | 93.4 | Very high | 97 Ų | 97 | 107.8 Ų | 107.8 | 51% | 0.508 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.9 | -41.8 | 177.5 | -104.1 | 158.2 | 0 | 0 | 0 | 112.1 | I134 E135 V141 K142 | I134-L138 HydrophobicContact CG2-CD1 4.25Å; I134-L138 WeakPolarHBondContact O-CB 3.44Å; I134-L138 PolarHBondContact O-N 2.74Å; E135-L138 PolarHBondContact O-N 2.92Å; L138-V141 PolarHBondContact O-N 3.37Å; L138-K142 PolarHBondContact O-N 3.33Å |
| 139 | F | 94.2 | Very high | 93.5 | Very high | 145 Ų | 145 | 107.1 Ų | 107.1 | 64% | 0.636 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.8 | -46.6 | 173.5 | -178.8 | -96.7 | 0 | 0 | 0 | 110.9 | E135 Q136 V141 K142 E143 | E135-F139 WeakPolarHBondContact O-CB 3.46Å; E135-F139 PolarHBondContact O-N 2.98Å; Q136-F139 PolarHBondContact O-N 2.99Å; F139-V141 VanDerWaalsContact C-N 3.33Å; F139-V141 PolarHBondContact O-N 3.35Å; F139-K142 PolarHBondContact O-N 2.95Å; F139-E143 PolarHBondContact O-N 2.87Å |
| 140 | I | 94 | Very high | 93.6 | Very high | 82 Ų | 82 | 107 Ų | 107 | 42% | 0.421 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.3 | -41.4 | 175.7 | -68.4 | 164.2 | 0 | 0 | 0 | 111.3 | Q136 E137 K144 | Q136-I140 WeakPolarHBondContact O-CD1 3.43Å; Q136-I140 WeakPolarHBondContact O-CG1 3.37Å; Q136-I140 PolarHBondContact O-N 3.21Å; E137-I140 WeakPolarHBondContact O-CB 3.31Å; E137-I140 PolarHBondContact O-N 2.75Å; I140-K144 HydrophobicContact CG2-CD 4.01Å; I140-K144 HydrophobicContact CG2-CG 4.5Å; I140-K144 WeakPolarHBondContact O-CB 3.32Å; I140-K144 VanDerWaalsContact O-CG 3.22Å; I140-K144 WeakPolarHBondContact O-CG 3.47Å; I140-K144 PolarHBondContact O-N 3.31Å |
| 141 | V | 94.2 | Very high | 93.7 | Very high | 87 Ų | 87 | 105.8 Ų | 105.8 | 53% | 0.527 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.8 | -43.2 | 178.4 | 169.8 | 0 | 0 | 0 | 0 | 111.6 | E137 L138 F139 K144 L145 | E137-V141 VanDerWaalsContact O-CG2 3.29Å; E137-V141 WeakPolarHBondContact O-CG2 3.43Å; E137-V141 PolarHBondContact O-N 3.25Å; L138-V141 PolarHBondContact O-N 3.37Å; F139-V141 VanDerWaalsContact C-N 3.33Å; F139-V141 PolarHBondContact O-N 3.35Å; V141-K144 PolarHBondContact O-N 2.87Å; V141-L145 WeakPolarHBondContact O-CB 3.34Å; V141-L145 PolarHBondContact O-N 3.18Å |
| 142 | K | 94.6 | Very high | 93.9 | Very high | 145 Ų | 145 | 104.3 Ų | 104.3 | 63% | 0.63 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.6 | -43.7 | 175.7 | -80.9 | -178.8 | 176.8 | 178 | 0 | 112 | L138 F139 K144 L145 N146 | L138-K142 PolarHBondContact O-N 3.33Å; F139-K142 PolarHBondContact O-N 2.95Å; K142-K144 VanDerWaalsContact C-N 3.35Å; K142-L145 WeakPolarHBondContact O-CB 3.23Å; K142-L145 PolarHBondContact O-N 3.41Å; K142-N146 WeakPolarHBondContact O-CB 3.48Å; K142-N146 PolarHBondContact O-N 3.37Å |
| 143 | E | 93.9 | Very high | 93.9 | Very high | 82 Ų | 82 | 105.7 Ų | 105.7 | 38% | 0.383 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.3 | -41.2 | 177.4 | -165.5 | 58.9 | -154.3 | 0 | 0 | 110.8 | F139 L145 N146 V147 | F139-E143 PolarHBondContact O-N 2.87Å; E143-L145 VanDerWaalsContact C-N 3.3Å; E143-L145 PolarHBondContact O-N 3.42Å; E143-N146 PolarHBondContact O-N 2.74Å; E143-V147 WeakPolarHBondContact O-CB 3.33Å; E143-V147 VanDerWaalsContact O-CG2 3.27Å; E143-V147 WeakPolarHBondContact O-CG2 3.35Å; E143-V147 PolarHBondContact O-N 2.93Å |
| 144 | K | 94.2 | Very high | 94.1 | Very high | 127 Ų | 127 | 109.1 Ų | 109.1 | 55% | 0.552 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.4 | -38.5 | 171.7 | -77 | 173.2 | -180 | 175.5 | 0 | 112.6 | I140 V141 K142 R148 | I140-K144 HydrophobicContact CG2-CD 4.01Å; I140-K144 HydrophobicContact CG2-CG 4.5Å; I140-K144 WeakPolarHBondContact O-CB 3.32Å; I140-K144 VanDerWaalsContact O-CG 3.22Å; I140-K144 WeakPolarHBondContact O-CG 3.47Å; I140-K144 PolarHBondContact O-N 3.31Å; V141-K144 PolarHBondContact O-N 2.87Å; K142-K144 VanDerWaalsContact C-N 3.35Å; K144-R148 VanDerWaalsContact O-CG 3.31Å; K144-R148 WeakPolarHBondContact O-CG 3.34Å; K144-R148 PolarHBondContact O-N 3.36Å |
| 145 | L | 94.5 | Very high | 94.2 | Very high | 92 Ų | 92 | 112.4 Ų | 112.4 | 48% | 0.482 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.2 | -46.3 | 177.2 | -166.6 | 107.2 | 0 | 0 | 0 | 111.3 | V141 K142 E143 V147 R148 E149 | V141-L145 WeakPolarHBondContact O-CB 3.34Å; V141-L145 PolarHBondContact O-N 3.18Å; K142-L145 WeakPolarHBondContact O-CB 3.23Å; K142-L145 PolarHBondContact O-N 3.41Å; E143-L145 VanDerWaalsContact C-N 3.3Å; E143-L145 PolarHBondContact O-N 3.42Å; L145-V147 VanDerWaalsContact C-N 3.33Å; L145-V147 PolarHBondContact O-N 2.87Å; L145-R148 CarbonylContact O-C 3.53Å; L145-R148 WeakPolarHBondContact O-CA 3.34Å; L145-R148 WeakPolarHBondContact O-CB 3.38Å; L145-R148 PolarHBondContact O-N 3.33Å; L145-E149 PolarHBondContact O-N 3.06Å |
| 146 | N | 94.7 | Very high | 94.3 | Very high | 58 Ų | 58 | 108.9 Ų | 108.9 | 31% | 0.31 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.6 | -41.7 | 177.7 | -164.2 | -21.7 | 0 | 0 | 0 | 111.3 | K142 E143 R148 E149 R150 | K142-N146 WeakPolarHBondContact O-CB 3.48Å; K142-N146 PolarHBondContact O-N 3.37Å; E143-N146 PolarHBondContact O-N 2.74Å; N146-R148 VanDerWaalsContact C-N 3.34Å; N146-R148 PolarHBondContact O-N 3.22Å; N146-E149 PolarHBondContact O-N 2.93Å; N146-R150 PolarHBondContact ND2-NH2 3.48Å; N146-R150 WeakPolarHBondContact O-CG 3.4Å; N146-R150 PolarHBondContact O-N 2.97Å; N146-R150 VanDerWaalsContact OD1-CZ 3.26Å; N146-R150 PolarHBondContact OD1-NE 2.81Å; N146-R150 PolarHBondContact OD1-NH2 3.34Å |
| 147 | V | 94.2 | Very high | 94.4 | Very high | 58 Ų | 58 | 111.5 Ų | 111.5 | 35% | 0.352 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.6 | -42.2 | 171.6 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | E143 L145 Q151 | E143-V147 WeakPolarHBondContact O-CB 3.33Å; E143-V147 VanDerWaalsContact O-CG2 3.27Å; E143-V147 WeakPolarHBondContact O-CG2 3.35Å; E143-V147 PolarHBondContact O-N 2.93Å; L145-V147 VanDerWaalsContact C-N 3.33Å; L145-V147 PolarHBondContact O-N 2.87Å; V147-Q151 HydrophobicContact CG1-CG 4.41Å; V147-Q151 WeakPolarHBondContact O-CB 3.38Å; V147-Q151 WeakPolarHBondContact O-CG 3.35Å; V147-Q151 PolarHBondContact O-N 2.99Å |
| 148 | R | 94.3 | Very high | 94.4 | Very high | 170 Ų | 170 | 111 Ų | 111 | 64% | 0.642 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.9 | -41.9 | 176.5 | -78.5 | 177.2 | -176.8 | 178.8 | 1.6 | 112.8 | K144 L145 N146 Q151 Q152 | K144-R148 VanDerWaalsContact O-CG 3.31Å; K144-R148 WeakPolarHBondContact O-CG 3.34Å; K144-R148 PolarHBondContact O-N 3.36Å; L145-R148 CarbonylContact O-C 3.53Å; L145-R148 WeakPolarHBondContact O-CA 3.34Å; L145-R148 WeakPolarHBondContact O-CB 3.38Å; L145-R148 PolarHBondContact O-N 3.33Å; N146-R148 VanDerWaalsContact C-N 3.34Å; N146-R148 PolarHBondContact O-N 3.22Å; R148-Q151 PolarHBondContact O-N 3.44Å; R148-Q152 WeakPolarHBondContact O-CB 3.48Å; R148-Q152 PolarHBondContact O-N 2.87Å |
| 149 | E | 94 | Very high | 94.5 | Very high | 106 Ų | 106 | 112.7 Ų | 112.7 | 50% | 0.495 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.9 | -49 | 176.8 | -75.4 | 176.6 | 167.6 | 0 | 0 | 111 | L145 N146 Q151 Q152 E153 | L145-E149 PolarHBondContact O-N 3.06Å; N146-E149 PolarHBondContact O-N 2.93Å; E149-Q151 VanDerWaalsContact C-N 3.3Å; E149-Q151 PolarHBondContact O-N 3.48Å; E149-Q152 PolarHBondContact O-N 2.82Å; E149-Q152 VanDerWaalsContact O-N 3.08Å; E149-E153 PolarHBondContact O-N 3.32Å |
| 150 | R | 94.3 | Very high | 94.5 | Very high | 131 Ų | 131 | 111.8 Ų | 111.8 | 49% | 0.494 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.4 | -40.6 | 174.7 | -67.9 | -178 | -148.6 | 149.6 | 5.6 | 112.1 | N146 Q154 | N146-R150 PolarHBondContact ND2-NH2 3.48Å; N146-R150 WeakPolarHBondContact O-CG 3.4Å; N146-R150 PolarHBondContact O-N 2.97Å; N146-R150 VanDerWaalsContact OD1-CZ 3.26Å; N146-R150 PolarHBondContact OD1-NE 2.81Å; N146-R150 PolarHBondContact OD1-NH2 3.34Å; R150-Q154 WeakPolarHBondContact O-CB 3.43Å; R150-Q154 PolarHBondContact O-N 3.38Å |
| 151 | Q | 94.6 | Very high | 94.6 | Very high | 83 Ų | 83 | 110.6 Ų | 110.6 | 39% | 0.388 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.5 | -39.6 | 174.9 | -77 | 176.4 | 2.3 | 0 | 0 | 112 | V147 R148 E149 R155 | V147-Q151 HydrophobicContact CG1-CG 4.41Å; V147-Q151 WeakPolarHBondContact O-CB 3.38Å; V147-Q151 WeakPolarHBondContact O-CG 3.35Å; V147-Q151 PolarHBondContact O-N 2.99Å; R148-Q151 PolarHBondContact O-N 3.44Å; E149-Q151 VanDerWaalsContact C-N 3.3Å; E149-Q151 PolarHBondContact O-N 3.48Å; Q151-R155 WeakPolarHBondContact O-CB 3.36Å; Q151-R155 VanDerWaalsContact O-CG 3.23Å; Q151-R155 WeakPolarHBondContact O-CG 3.36Å; Q151-R155 PolarHBondContact O-N 3.4Å |
| 152 | Q | 94.4 | Very high | 94.7 | Very high | 137 Ų | 137 | 111.3 Ų | 111.3 | 64% | 0.64 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -70.3 | -43.2 | 178.3 | -175.7 | 169.7 | -9 | 0 | 0 | 111.7 | R148 E149 R155 S156 | R148-Q152 WeakPolarHBondContact O-CB 3.48Å; R148-Q152 PolarHBondContact O-N 2.87Å; E149-Q152 PolarHBondContact O-N 2.82Å; E149-Q152 VanDerWaalsContact O-N 3.08Å; Q152-R155 PolarHBondContact O-N 3Å; Q152-S156 WeakPolarHBondContact O-CB 3.31Å; Q152-S156 PolarHBondContact O-N 3.29Å; Q152-S156 PolarHBondContact O-OG 3.47Å |
| 153 | E | 94.6 | Very high | 94.8 | Very high | 121 Ų | 121 | 109.1 Ų | 109.1 | 57% | 0.565 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -58.4 | -49.2 | 171.7 | -76.3 | -176.4 | 171.7 | 0 | 0 | 110.6 | E149 R155 S156 W157 | E149-E153 PolarHBondContact O-N 3.32Å; E153-R155 VanDerWaalsContact C-N 3.31Å; E153-R155 PolarHBondContact O-N 2.93Å; E153-S156 WeakPolarHBondContact CA-OG 3.27Å; E153-S156 PolarHBondContact O-N 3.25Å; E153-S156 VanDerWaalsContact O-N 3.15Å; E153-S156 PolarHBondContact O-OG 2.92Å; E153-W157 WeakPolarHBondContact O-CB 3.33Å; E153-W157 PolarHBondContact O-N 3.03Å |
| 154 | Q | 95.1 | Very high | 94.9 | Very high | 114 Ų | 114 | 108.9 Ų | 108.9 | 53% | 0.533 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.8 | -40.2 | 177.4 | -169.9 | -178.5 | 16.4 | 0 | 0 | 112.1 | R150 K158 | R150-Q154 WeakPolarHBondContact O-CB 3.43Å; R150-Q154 PolarHBondContact O-N 3.38Å; Q154-K158 WeakPolarHBondContact O-CB 3.36Å; Q154-K158 VanDerWaalsContact O-CG 3.32Å; Q154-K158 WeakPolarHBondContact O-CG 3.4Å; Q154-K158 PolarHBondContact O-N 3.42Å |
| 155 | R | 95 | Very high | 95 | Very high | 153 Ų | 153 | 107.2 Ų | 107.2 | 58% | 0.577 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.3 | -45.2 | 174 | -75.9 | 173.3 | -166.7 | 155.1 | 6.3 | 111.7 | Q151 Q152 E153 K158 Q159 | Q151-R155 WeakPolarHBondContact O-CB 3.36Å; Q151-R155 VanDerWaalsContact O-CG 3.23Å; Q151-R155 WeakPolarHBondContact O-CG 3.36Å; Q151-R155 PolarHBondContact O-N 3.4Å; Q152-R155 PolarHBondContact O-N 3Å; E153-R155 VanDerWaalsContact C-N 3.31Å; E153-R155 PolarHBondContact O-N 2.93Å; R155-K158 PolarHBondContact O-N 3.29Å; R155-Q159 WeakPolarHBondContact O-CG 3.35Å; R155-Q159 PolarHBondContact O-N 2.86Å |
| 156 | S | 94.5 | Very high | 95.1 | Very high | 57 Ų | 57 | 106.5 Ų | 106.5 | 40% | 0.399 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65 | -39 | 179.2 | 69.6 | 0 | 0 | 0 | 0 | 112.2 | Q152 E153 Q159 Y160 | Q152-S156 WeakPolarHBondContact O-CB 3.31Å; Q152-S156 PolarHBondContact O-N 3.29Å; Q152-S156 PolarHBondContact O-OG 3.47Å; E153-S156 WeakPolarHBondContact CA-OG 3.27Å; E153-S156 PolarHBondContact O-N 3.25Å; E153-S156 VanDerWaalsContact O-N 3.15Å; E153-S156 PolarHBondContact O-OG 2.92Å; S156-Q159 PolarHBondContact O-N 3.37Å; S156-Y160 WeakPolarHBondContact O-CB 3.32Å; S156-Y160 PolarHBondContact O-N 3.42Å |
| 157 | W | 95.2 | Very high | 95.1 | Very high | 170 Ų | 170 | 109.6 Ų | 109.6 | 64% | 0.644 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.4 | -42.6 | 174 | -88 | 113.4 | 0 | 0 | 0 | 112.1 | E153 Y160 S161 | E153-W157 WeakPolarHBondContact O-CB 3.33Å; E153-W157 PolarHBondContact O-N 3.03Å; W157-Y160 HydrophobicContact CE3-CD1 4.15Å; W157-Y160 AromaticContact CZ3-CD1 3.96Å; W157-Y160 HydrophobicContact CZ3-CD1 3.96Å; W157-Y160 HydrophobicContact CZ3-CE1 4.29Å; W157-Y160 PolarHBondContact O-N 2.87Å; W157-S161 WeakPolarHBondContact O-CB 3.38Å; W157-S161 PolarHBondContact O-N 3.29Å; W157-S161 PolarHBondContact O-OG 3.12Å |
| 158 | K | 95.2 | Very high | 95.2 | Very high | 116 Ų | 116 | 110.2 Ų | 110.2 | 50% | 0.504 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.4 | -51.7 | 172.8 | -77.6 | 179.7 | 179.1 | -173.3 | 0 | 111 | Q154 R155 Y160 S161 E162 | Q154-K158 WeakPolarHBondContact O-CB 3.36Å; Q154-K158 VanDerWaalsContact O-CG 3.32Å; Q154-K158 WeakPolarHBondContact O-CG 3.4Å; Q154-K158 PolarHBondContact O-N 3.42Å; R155-K158 PolarHBondContact O-N 3.29Å; K158-Y160 VanDerWaalsContact C-N 3.34Å; K158-Y160 PolarHBondContact O-N 3.47Å; K158-S161 PolarHBondContact O-N 3.49Å; K158-S161 PolarHBondContact O-OG 3.03Å; K158-E162 WeakPolarHBondContact O-CB 3.44Å; K158-E162 WeakPolarHBondContact O-CG 3.39Å; K158-E162 PolarHBondContact O-N 3.38Å |
| 159 | Q | 94.4 | Very high | 95.3 | Very high | 133 Ų | 133 | 105.9 Ų | 105.9 | 62% | 0.621 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -58.6 | -42.4 | 177.9 | -72.8 | 175.3 | -17.2 | 0 | 0 | 112.7 | R155 S156 L163 | R155-Q159 WeakPolarHBondContact O-CG 3.35Å; R155-Q159 PolarHBondContact O-N 2.86Å; S156-Q159 PolarHBondContact O-N 3.37Å; Q159-L163 WeakPolarHBondContact O-CB 3.47Å; Q159-L163 PolarHBondContact O-N 3.01Å |
| 160 | Y | 95.4 | Very high | 95.4 | Very high | 125 Ų | 125 | 106.3 Ų | 106.3 | 49% | 0.49 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.9 | -43.3 | 176.7 | 179.9 | -105.1 | 0 | 0 | 0 | 112 | S156 W157 K158 L163 L164 | S156-Y160 WeakPolarHBondContact O-CB 3.32Å; S156-Y160 PolarHBondContact O-N 3.42Å; W157-Y160 HydrophobicContact CE3-CD1 4.15Å; W157-Y160 AromaticContact CZ3-CD1 3.96Å; W157-Y160 HydrophobicContact CZ3-CD1 3.96Å; W157-Y160 HydrophobicContact CZ3-CE1 4.29Å; W157-Y160 PolarHBondContact O-N 2.87Å; K158-Y160 VanDerWaalsContact C-N 3.34Å; K158-Y160 PolarHBondContact O-N 3.47Å; Y160-L163 PolarHBondContact O-N 3.28Å; Y160-L164 HydrophobicContact CD1-CD1 3.89Å; Y160-L164 HydrophobicContact CD1-CG 4.47Å; Y160-L164 HydrophobicContact CE1-CD1 3.29Å; Y160-L164 HydrophobicContact CE1-CG 4.04Å; Y160-L164 HydrophobicContact CE2-CD1 4.49Å; Y160-L164 HydrophobicContact CE2-CG 4.41Å; Y160-L164 PolarHBondContact O-N 2.89Å |
| 161 | S | 95.9 | Very high | 95.5 | Very high | 57 Ų | 57 | 104.7 Ų | 104.7 | 40% | 0.399 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.8 | -40.7 | 177.2 | 70.2 | 0 | 0 | 0 | 0 | 112.4 | W157 K158 L164 V165 | W157-S161 WeakPolarHBondContact O-CB 3.38Å; W157-S161 PolarHBondContact O-N 3.29Å; W157-S161 PolarHBondContact O-OG 3.12Å; K158-S161 PolarHBondContact O-N 3.49Å; K158-S161 PolarHBondContact O-OG 3.03Å; S161-L164 PolarHBondContact O-N 2.96Å; S161-V165 WeakPolarHBondContact O-CG2 3.44Å; S161-V165 PolarHBondContact O-N 3.4Å |
| 162 | E | 95.8 | Very high | 95.6 | Very high | 103 Ų | 103 | 104.6 Ų | 104.6 | 48% | 0.481 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 174.1 | -75 | 168.4 | -166.7 | 0 | 0 | 111.3 | K158 V165 N166 | K158-E162 WeakPolarHBondContact O-CB 3.44Å; K158-E162 WeakPolarHBondContact O-CG 3.39Å; K158-E162 PolarHBondContact O-N 3.38Å; E162-V165 PolarHBondContact O-N 3.41Å; E162-N166 WeakPolarHBondContact O-CB 3.37Å; E162-N166 VanDerWaalsContact O-CG 3.23Å; E162-N166 PolarHBondContact O-N 2.94Å; E162-N166 PolarHBondContact O-ND2 2.89Å |
| 163 | L | 96.2 | Very high | 95.7 | Very high | 99 Ų | 99 | 101.2 Ų | 101.2 | 52% | 0.518 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 175.8 | -177.8 | 63.5 | 0 | 0 | 0 | 111.9 | Q159 Y160 N166 M167 | Q159-L163 WeakPolarHBondContact O-CB 3.47Å; Q159-L163 PolarHBondContact O-N 3.01Å; Y160-L163 PolarHBondContact O-N 3.28Å; L163-N166 PolarHBondContact O-N 2.89Å; L163-M167 HydrophobicContact CD1-CG 4.34Å; L163-M167 HydrophobicContact CG-CG 4.48Å; L163-M167 WeakPolarHBondContact O-CB 3.48Å; L163-M167 WeakPolarHBondContact O-CG 3.17Å; L163-M167 PolarHBondContact O-N 2.99Å |
| 164 | L | 96.1 | Very high | 95.8 | Very high | 77 Ų | 77 | 104.1 Ų | 104.1 | 40% | 0.403 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 176.1 | -79.1 | 177.1 | 0 | 0 | 0 | 112.2 | Y160 S161 M167 T168 | Y160-L164 HydrophobicContact CD1-CD1 3.89Å; Y160-L164 HydrophobicContact CD1-CG 4.47Å; Y160-L164 HydrophobicContact CE1-CD1 3.29Å; Y160-L164 HydrophobicContact CE1-CG 4.04Å; Y160-L164 HydrophobicContact CE2-CD1 4.49Å; Y160-L164 HydrophobicContact CE2-CG 4.41Å; Y160-L164 PolarHBondContact O-N 2.89Å; S161-L164 PolarHBondContact O-N 2.96Å; L164-M167 PolarHBondContact O-N 3.05Å; L164-T168 WeakPolarHBondContact O-CB 3.36Å; L164-T168 PolarHBondContact O-N 2.93Å; L164-T168 PolarHBondContact O-OG1 2.84Å |
| 165 | V | 96.2 | Very high | 95.9 | Very high | 91 Ų | 91 | 105.3 Ų | 105.3 | 55% | 0.552 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.9 | -47.9 | 174.6 | 171 | 0 | 0 | 0 | 0 | 110.3 | S161 E162 M167 T168 Q169 | S161-V165 WeakPolarHBondContact O-CG2 3.44Å; S161-V165 PolarHBondContact O-N 3.4Å; E162-V165 PolarHBondContact O-N 3.41Å; V165-M167 PolarHBondContact O-N 3.45Å; V165-T168 PolarHBondContact O-N 3.45Å; V165-Q169 WeakPolarHBondContact O-CB 3.21Å; V165-Q169 PolarHBondContact O-N 3.35Å |
| 166 | N | 96.2 | Very high | 95.9 | Very high | 78 Ų | 78 | 104.4 Ų | 104.4 | 42% | 0.417 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 178.3 | -74.5 | -25 | 0 | 0 | 0 | 112.5 | E162 L163 Q169 K170 | E162-N166 WeakPolarHBondContact O-CB 3.37Å; E162-N166 VanDerWaalsContact O-CG 3.23Å; E162-N166 PolarHBondContact O-N 2.94Å; E162-N166 PolarHBondContact O-ND2 2.89Å; L163-N166 PolarHBondContact O-N 2.89Å; N166-Q169 PolarHBondContact O-N 2.92Å; N166-K170 WeakPolarHBondContact O-CB 3.34Å; N166-K170 WeakPolarHBondContact O-CG 3.38Å; N166-K170 PolarHBondContact O-N 3.19Å |
| 167 | M | 96.4 | Very high | 96 | Very high | 122 Ų | 122 | 105.1 Ų | 105.1 | 60% | 0.601 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.6 | -41.9 | 175.6 | -76 | -168.4 | 74.9 | 0 | 0 | 111.7 | L163 L164 V165 K170 Q171 | L163-M167 HydrophobicContact CD1-CG 4.34Å; L163-M167 HydrophobicContact CG-CG 4.48Å; L163-M167 WeakPolarHBondContact O-CB 3.48Å; L163-M167 WeakPolarHBondContact O-CG 3.17Å; L163-M167 PolarHBondContact O-N 2.99Å; L164-M167 PolarHBondContact O-N 3.05Å; V165-M167 PolarHBondContact O-N 3.45Å; M167-K170 PolarHBondContact O-N 2.93Å; M167-Q171 WeakPolarHBondContact O-CB 3.4Å; M167-Q171 PolarHBondContact O-N 2.91Å |
| 168 | T | 96 | Very high | 96.1 | Very high | 72 Ų | 72 | 101.7 Ų | 101.7 | 44% | 0.442 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.1 | -43.2 | 177.8 | -55.6 | 0 | 0 | 0 | 0 | 111.1 | L164 V165 Q171 N172 | L164-T168 WeakPolarHBondContact O-CB 3.36Å; L164-T168 PolarHBondContact O-N 2.93Å; L164-T168 PolarHBondContact O-OG1 2.84Å; V165-T168 PolarHBondContact O-N 3.45Å; T168-Q171 PolarHBondContact O-N 3.45Å; T168-N172 PolarHBondContact O-N 3.48Å; T168-N172 PolarHBondContact O-ND2 3.24Å |
| 169 | Q | 96.3 | Very high | 96.1 | Very high | 79 Ų | 79 | 101.3 Ų | 101.3 | 37% | 0.369 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.9 | -49.9 | 175.3 | -178.7 | 176.4 | -11.7 | 0 | 0 | 110.9 | V165 N166 Q171 N172 E173 | V165-Q169 WeakPolarHBondContact O-CB 3.21Å; V165-Q169 PolarHBondContact O-N 3.35Å; N166-Q169 PolarHBondContact O-N 2.92Å; Q169-Q171 VanDerWaalsContact C-N 3.32Å; Q169-Q171 PolarHBondContact O-N 2.93Å; Q169-N172 PolarHBondContact O-N 2.69Å; Q169-N172 VanDerWaalsContact O-N 3.12Å; Q169-E173 WeakPolarHBondContact CG-OE1 3.37Å; Q169-E173 PolarHBondContact NE2-OE1 3.46Å; Q169-E173 WeakPolarHBondContact O-CG 3.45Å; Q169-E173 PolarHBondContact O-N 2.93Å |
| 170 | K | 96.4 | Very high | 96.2 | Very high | 114 Ų | 114 | 97.5 Ų | 97.5 | 50% | 0.496 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.3 | -40.9 | 176.4 | -74.2 | -73.2 | 163.6 | -154.5 | 0 | 111.9 | N166 M167 N172 E173 W174 | N166-K170 WeakPolarHBondContact O-CB 3.34Å; N166-K170 WeakPolarHBondContact O-CG 3.38Å; N166-K170 PolarHBondContact O-N 3.19Å; M167-K170 PolarHBondContact O-N 2.93Å; K170-N172 VanDerWaalsContact C-N 3.3Å; K170-N172 PolarHBondContact O-N 3.06Å; K170-E173 WeakPolarHBondContact CD-OE2 3.36Å; K170-E173 WeakPolarHBondContact CE-OE2 3.23Å; K170-E173 IonicContact NZ-OE1 3.66Å; K170-E173 IonicContact NZ-OE2 3.11Å; K170-E173 PolarHBondContact NZ-OE2 2.97Å; K170-E173 PolarHBondContact O-N 3.33Å; K170-W174 PolarHBondContact O-N 3.44Å |
| 171 | Q | 96.1 | Very high | 96.3 | Very high | 98 Ų | 98 | 96 Ų | 96 | 46% | 0.458 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.9 | -39.7 | 175.8 | -172.1 | 179 | 21.1 | 0 | 0 | 112 | M167 T168 Q169 R175 | M167-Q171 WeakPolarHBondContact O-CB 3.4Å; M167-Q171 PolarHBondContact O-N 2.91Å; T168-Q171 PolarHBondContact O-N 3.45Å; Q169-Q171 VanDerWaalsContact C-N 3.32Å; Q169-Q171 PolarHBondContact O-N 2.93Å; Q171-R175 WeakPolarHBondContact O-CG 3.39Å; Q171-R175 PolarHBondContact O-N 2.79Å |
| 172 | N | 96.7 | Very high | 96.3 | Very high | 80 Ų | 80 | 98.8 Ų | 98.8 | 43% | 0.428 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -69.1 | -41.2 | 175.7 | -71.4 | -25.9 | 0 | 0 | 0 | 112.1 | T168 Q169 K170 W174 R175 Q176 | T168-N172 PolarHBondContact O-N 3.48Å; T168-N172 PolarHBondContact O-ND2 3.24Å; Q169-N172 PolarHBondContact O-N 2.69Å; Q169-N172 VanDerWaalsContact O-N 3.12Å; K170-N172 VanDerWaalsContact C-N 3.3Å; K170-N172 PolarHBondContact O-N 3.06Å; N172-W174 PolarHBondContact O-N 3.18Å; N172-R175 PolarHBondContact O-N 3.21Å; N172-Q176 PolarHBondContact O-N 3.26Å |
| 173 | E | 95.9 | Very high | 96.3 | Very high | 67 Ų | 67 | 99.2 Ų | 99.2 | 31% | 0.313 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -58 | -47.4 | 172.8 | -71.5 | 171.6 | -162.8 | 0 | 0 | 111.2 | Q169 K170 R175 Q176 V177 | Q169-E173 WeakPolarHBondContact CG-OE1 3.37Å; Q169-E173 PolarHBondContact NE2-OE1 3.46Å; Q169-E173 WeakPolarHBondContact O-CG 3.45Å; Q169-E173 PolarHBondContact O-N 2.93Å; K170-E173 WeakPolarHBondContact CD-OE2 3.36Å; K170-E173 WeakPolarHBondContact CE-OE2 3.23Å; K170-E173 IonicContact NZ-OE1 3.66Å; K170-E173 IonicContact NZ-OE2 3.11Å; K170-E173 PolarHBondContact NZ-OE2 2.97Å; K170-E173 PolarHBondContact O-N 3.33Å; E173-R175 PolarHBondContact O-N 3.15Å; E173-Q176 PolarHBondContact O-N 2.67Å; E173-V177 WeakPolarHBondContact O-CG2 3.42Å; E173-V177 PolarHBondContact O-N 3.47Å |
| 174 | W | 96.5 | Very high | 96.3 | Very high | 181 Ų | 181 | 101.2 Ų | 101.2 | 69% | 0.686 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.4 | -42.1 | 176.9 | -73.8 | 118.2 | 0 | 0 | 0 | 112.5 | K170 N172 Q176 V177 E178 | K170-W174 PolarHBondContact O-N 3.44Å; N172-W174 PolarHBondContact O-N 3.18Å; W174-Q176 VanDerWaalsContact C-N 3.33Å; W174-Q176 PolarHBondContact O-N 2.92Å; W174-V177 PolarHBondContact O-N 3.41Å; W174-E178 WeakPolarHBondContact O-CB 3.22Å; W174-E178 PolarHBondContact O-N 3.29Å |
| 175 | R | 96.7 | Very high | 96.3 | Very high | 139 Ų | 139 | 102 Ų | 102 | 53% | 0.525 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.1 | -39.6 | 174.9 | -76.7 | 175.1 | -179.5 | 163.6 | -0.2 | 112.1 | Q171 N172 E173 E178 L179 | Q171-R175 WeakPolarHBondContact O-CG 3.39Å; Q171-R175 PolarHBondContact O-N 2.79Å; N172-R175 PolarHBondContact O-N 3.21Å; E173-R175 PolarHBondContact O-N 3.15Å; R175-E178 PolarHBondContact O-N 2.9Å; R175-L179 WeakPolarHBondContact O-CB 3.33Å; R175-L179 PolarHBondContact O-N 3.19Å |
| 176 | Q | 96.5 | Very high | 96.2 | Very high | 134 Ų | 134 | 100.6 Ų | 100.6 | 63% | 0.626 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -67.9 | -41.3 | 177.5 | -173.7 | 177.6 | -2.3 | 0 | 0 | 111.8 | N172 E173 W174 L179 T180 | N172-Q176 PolarHBondContact O-N 3.26Å; E173-Q176 PolarHBondContact O-N 2.67Å; W174-Q176 VanDerWaalsContact C-N 3.33Å; W174-Q176 PolarHBondContact O-N 2.92Å; Q176-L179 PolarHBondContact O-N 3.46Å; Q176-T180 WeakPolarHBondContact O-CB 3.25Å; Q176-T180 PolarHBondContact O-N 3.22Å; Q176-T180 PolarHBondContact O-OG1 2.92Å |
| 177 | V | 96.1 | Very high | 96.2 | Very high | 72 Ų | 72 | 99.7 Ų | 99.7 | 44% | 0.436 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.4 | -45.7 | 173.9 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | E173 W174 L179 T180 L181 | E173-V177 WeakPolarHBondContact O-CG2 3.42Å; E173-V177 PolarHBondContact O-N 3.47Å; W174-V177 PolarHBondContact O-N 3.41Å; V177-L179 PolarHBondContact O-N 3.35Å; V177-T180 PolarHBondContact O-N 2.95Å; V177-L181 HydrophobicContact CG1-CD1 3.97Å; V177-L181 HydrophobicContact CG1-CG 4.39Å; V177-L181 WeakPolarHBondContact O-CB 3.27Å; V177-L181 WeakPolarHBondContact O-CG 3.37Å; V177-L181 PolarHBondContact O-N 3.43Å |
| 178 | E | 96.6 | Very high | 96.1 | Very high | 99 Ų | 99 | 95.9 Ų | 95.9 | 46% | 0.463 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.7 | -44.9 | 177.1 | -170.5 | -171.1 | 167.4 | 0 | 0 | 111.4 | W174 R175 L181 K182 | W174-E178 WeakPolarHBondContact O-CB 3.22Å; W174-E178 PolarHBondContact O-N 3.29Å; R175-E178 PolarHBondContact O-N 2.9Å; E178-L181 PolarHBondContact O-N 2.83Å; E178-K182 HydrophobicContact CG-CD 4.49Å; E178-K182 WeakPolarHBondContact O-CG 3.49Å; E178-K182 PolarHBondContact O-N 2.77Å; E178-K182 WeakPolarHBondContact OE1-CE 3.35Å; E178-K182 IonicContact OE1-NZ 3.83Å; E178-K182 PolarHBondContact OE1-NZ 3.46Å |
| 179 | L | 96.4 | Very high | 96.1 | Very high | 107 Ų | 107 | 98.4 Ų | 98.4 | 56% | 0.56 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62.4 | -44 | 176.1 | -172.7 | 69.1 | 0 | 0 | 0 | 111.5 | R175 Q176 V177 L181 K182 M183 | R175-L179 WeakPolarHBondContact O-CB 3.33Å; R175-L179 PolarHBondContact O-N 3.19Å; Q176-L179 PolarHBondContact O-N 3.46Å; V177-L179 PolarHBondContact O-N 3.35Å; L179-L181 VanDerWaalsContact C-N 3.34Å; L179-L181 PolarHBondContact O-N 2.86Å; L179-K182 PolarHBondContact O-N 2.77Å; L179-M183 WeakPolarHBondContact O-CG 3.39Å; L179-M183 PolarHBondContact O-N 2.83Å |
| 180 | T | 96.4 | Very high | 96 | Very high | 53 Ų | 53 | 98 Ų | 98 | 33% | 0.325 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 177.3 | -57.7 | 0 | 0 | 0 | 0 | 111.6 | Q176 V177 M183 K184 | Q176-T180 WeakPolarHBondContact O-CB 3.25Å; Q176-T180 PolarHBondContact O-N 3.22Å; Q176-T180 PolarHBondContact O-OG1 2.92Å; V177-T180 PolarHBondContact O-N 2.95Å; T180-M183 PolarHBondContact O-N 3.02Å; T180-K184 HydrophobicContact CG2-CD 4.47Å; T180-K184 WeakPolarHBondContact O-CG 2.93Å; T180-K184 PolarHBondContact O-N 3.39Å |
| 181 | L | 96.2 | Very high | 95.9 | Very high | 93 Ų | 93 | 100 Ų | 100 | 49% | 0.487 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66 | -43.5 | 176 | -72.9 | 172.8 | 0 | 0 | 0 | 111.6 | V177 E178 L179 M183 K184 I185 | V177-L181 HydrophobicContact CG1-CD1 3.97Å; V177-L181 HydrophobicContact CG1-CG 4.39Å; V177-L181 WeakPolarHBondContact O-CB 3.27Å; V177-L181 WeakPolarHBondContact O-CG 3.37Å; V177-L181 PolarHBondContact O-N 3.43Å; E178-L181 PolarHBondContact O-N 2.83Å; L179-L181 VanDerWaalsContact C-N 3.34Å; L179-L181 PolarHBondContact O-N 2.86Å; L181-M183 VanDerWaalsContact C-N 3.32Å; L181-M183 PolarHBondContact O-N 3.32Å; L181-K184 PolarHBondContact O-N 2.97Å; L181-I185 WeakPolarHBondContact O-CB 3.45Å; L181-I185 VanDerWaalsContact O-CG1 3.27Å; L181-I185 WeakPolarHBondContact O-CG1 3.38Å; L181-I185 PolarHBondContact O-N 3.4Å |
| 182 | K | 96.7 | Very high | 95.8 | Very high | 117 Ų | 117 | 97.5 Ų | 97.5 | 51% | 0.509 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.2 | -42.2 | 174.8 | -75.8 | 177.3 | -176.9 | 168.9 | 0 | 112 | E178 L179 I185 S186 | E178-K182 HydrophobicContact CG-CD 4.49Å; E178-K182 WeakPolarHBondContact O-CG 3.49Å; E178-K182 PolarHBondContact O-N 2.77Å; E178-K182 WeakPolarHBondContact OE1-CE 3.35Å; E178-K182 IonicContact OE1-NZ 3.83Å; E178-K182 PolarHBondContact OE1-NZ 3.46Å; L179-K182 PolarHBondContact O-N 2.77Å; K182-I185 PolarHBondContact O-N 2.97Å; K182-S186 WeakPolarHBondContact O-CB 3.49Å; K182-S186 PolarHBondContact O-N 2.84Å |
| 183 | M | 96.3 | Very high | 95.7 | Very high | 112 Ų | 112 | 96 Ų | 96 | 55% | 0.552 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.3 | -42.8 | 174.7 | -69.5 | -172.5 | -59.6 | 0 | 0 | 112.2 | L179 T180 L181 S186 S187 | L179-M183 WeakPolarHBondContact O-CG 3.39Å; L179-M183 PolarHBondContact O-N 2.83Å; T180-M183 PolarHBondContact O-N 3.02Å; L181-M183 VanDerWaalsContact C-N 3.32Å; L181-M183 PolarHBondContact O-N 3.32Å; M183-S186 PolarHBondContact O-N 3.27Å; M183-S187 WeakPolarHBondContact O-CB 3.4Å; M183-S187 PolarHBondContact O-N 3.04Å |
| 184 | K | 95.8 | Very high | 95.6 | Very high | 140 Ų | 140 | 97.3 Ų | 97.3 | 61% | 0.609 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.6 | -41.1 | 176.8 | -76.4 | -179.2 | 178.2 | -177.8 | 0 | 112.4 | T180 L181 A188 | T180-K184 HydrophobicContact CG2-CD 4.47Å; T180-K184 WeakPolarHBondContact O-CG 2.93Å; T180-K184 PolarHBondContact O-N 3.39Å; L181-K184 PolarHBondContact O-N 2.97Å; K184-A188 WeakPolarHBondContact O-CB 3.46Å; K184-A188 PolarHBondContact O-N 2.89Å |
| 185 | I | 95.2 | Very high | 95.6 | Very high | 93 Ų | 93 | 94.2 Ų | 94.2 | 48% | 0.477 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.2 | -51.4 | 175.7 | -70.3 | 166.3 | 0 | 0 | 0 | 109.4 | L181 K182 S187 A188 E189 | L181-I185 WeakPolarHBondContact O-CB 3.45Å; L181-I185 VanDerWaalsContact O-CG1 3.27Å; L181-I185 WeakPolarHBondContact O-CG1 3.38Å; L181-I185 PolarHBondContact O-N 3.4Å; K182-I185 PolarHBondContact O-N 2.97Å; I185-S187 VanDerWaalsContact C-N 3.32Å; I185-S187 PolarHBondContact O-N 2.95Å; I185-A188 WeakPolarHBondContact O-CB 3.37Å; I185-A188 PolarHBondContact O-N 3.47Å; I185-E189 HydrophobicContact CG2-CG 4.27Å; I185-E189 WeakPolarHBondContact O-CG 3.47Å; I185-E189 PolarHBondContact O-N 2.94Å |
| 186 | S | 95.8 | Very high | 95.5 | Very high | 63 Ų | 63 | 92.1 Ų | 92.1 | 44% | 0.441 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -57.8 | -42.9 | 178.1 | -179.8 | 0 | 0 | 0 | 0 | 112.2 | K182 M183 A188 E189 T190 | K182-S186 WeakPolarHBondContact O-CB 3.49Å; K182-S186 PolarHBondContact O-N 2.84Å; M183-S186 PolarHBondContact O-N 3.27Å; S186-A188 VanDerWaalsContact C-N 3.35Å; S186-A188 PolarHBondContact O-N 3.36Å; S186-E189 PolarHBondContact O-N 3.25Å; S186-T190 WeakPolarHBondContact O-CG2 3.35Å; S186-T190 PolarHBondContact O-N 2.86Å; S186-T190 PolarHBondContact O-OG1 2.92Å |
| 187 | S | 96 | Very high | 95.4 | Very high | 58 Ų | 58 | 88.9 Ų | 88.9 | 41% | 0.406 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.6 | -30.6 | 175.4 | 176.6 | 0 | 0 | 0 | 0 | 113.8 | M183 I185 T190 R191 | M183-S187 WeakPolarHBondContact O-CB 3.4Å; M183-S187 PolarHBondContact O-N 3.04Å; I185-S187 VanDerWaalsContact C-N 3.32Å; I185-S187 PolarHBondContact O-N 2.95Å; S187-T190 WeakPolarHBondContact CA-OG1 3.37Å; S187-T190 PolarHBondContact O-OG1 3.36Å; S187-T190 VanDerWaalsContact O-OG1 3.04Å; S187-R191 WeakPolarHBondContact O-CG 3.39Å; S187-R191 PolarHBondContact O-N 3.34Å; S187-R191 PolarHBondContact O-NE 2.8Å |
| 188 | A | 94.3 | Very high | 95.3 | Very high | 43 Ų | 43 | 90.5 Ų | 90.5 | 36% | 0.355 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -73.5 | -40.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | K184 I185 S186 R191 A192 | K184-A188 WeakPolarHBondContact O-CB 3.46Å; K184-A188 PolarHBondContact O-N 2.89Å; I185-A188 WeakPolarHBondContact O-CB 3.37Å; I185-A188 PolarHBondContact O-N 3.47Å; S186-A188 VanDerWaalsContact C-N 3.35Å; S186-A188 PolarHBondContact O-N 3.36Å; A188-R191 PolarHBondContact O-N 3.21Å; A188-A192 WeakPolarHBondContact O-CB 3.36Å; A188-A192 PolarHBondContact O-N 2.88Å |
| 189 | E | 95 | Very high | 95.3 | Very high | 125 Ų | 125 | 91 Ų | 91 | 58% | 0.584 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62.9 | -43 | 175.6 | -72.5 | 172.6 | 164.6 | 0 | 0 | 111.7 | I185 S186 A192 A193 | I185-E189 HydrophobicContact CG2-CG 4.27Å; I185-E189 WeakPolarHBondContact O-CG 3.47Å; I185-E189 PolarHBondContact O-N 2.94Å; S186-E189 PolarHBondContact O-N 3.25Å; E189-A192 PolarHBondContact O-N 2.81Å; E189-A193 WeakPolarHBondContact O-CB 3.47Å; E189-A193 PolarHBondContact O-N 3.47Å |
| 190 | T | 94.8 | Very high | 95.2 | Very high | 71 Ų | 71 | 91.6 Ų | 91.6 | 44% | 0.436 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.8 | -45.7 | 175.2 | 57.6 | 0 | 0 | 0 | 0 | 111.6 | S186 S187 A192 A193 D194 | S186-T190 WeakPolarHBondContact O-CG2 3.35Å; S186-T190 PolarHBondContact O-N 2.86Å; S186-T190 PolarHBondContact O-OG1 2.92Å; S187-T190 WeakPolarHBondContact CA-OG1 3.37Å; S187-T190 PolarHBondContact O-OG1 3.36Å; S187-T190 VanDerWaalsContact O-OG1 3.04Å; T190-A192 VanDerWaalsContact C-N 3.32Å; T190-A192 PolarHBondContact O-N 2.96Å; T190-A193 PolarHBondContact O-N 3.39Å; T190-D194 VanDerWaalsContact O-CG 3.24Å; T190-D194 PolarHBondContact O-N 3.45Å |
| 191 | R | 94.8 | Very high | 95.1 | Very high | 154 Ų | 154 | 94.4 Ų | 94.4 | 58% | 0.581 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.8 | -39.2 | 176.4 | -75.8 | -175.3 | -66.1 | 163.1 | 1.3 | 112.4 | S187 A188 D194 M195 | S187-R191 WeakPolarHBondContact O-CG 3.39Å; S187-R191 PolarHBondContact O-N 3.34Å; S187-R191 PolarHBondContact O-NE 2.8Å; A188-R191 PolarHBondContact O-N 3.21Å; R191-D194 PolarHBondContact O-N 3.43Å; R191-M195 WeakPolarHBondContact O-CB 3.38Å; R191-M195 VanDerWaalsContact O-CG 3.28Å; R191-M195 WeakPolarHBondContact O-CG 3.45Å; R191-M195 PolarHBondContact O-N 3.4Å |
| 192 | A | 93.5 | Very high | 95.1 | Very high | 47 Ų | 47 | 97.5 Ų | 97.5 | 39% | 0.388 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.6 | -42.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A188 E189 T190 M195 I196 | A188-A192 WeakPolarHBondContact O-CB 3.36Å; A188-A192 PolarHBondContact O-N 2.88Å; E189-A192 PolarHBondContact O-N 2.81Å; T190-A192 VanDerWaalsContact C-N 3.32Å; T190-A192 PolarHBondContact O-N 2.96Å; A192-M195 PolarHBondContact O-N 2.89Å; A192-I196 VanDerWaalsContact O-CG1 3.28Å; A192-I196 WeakPolarHBondContact O-CG1 3.43Å; A192-I196 PolarHBondContact O-N 3.17Å |
| 193 | A | 93.9 | Very high | 95 | Very high | 48 Ų | 48 | 98.8 Ų | 98.8 | 40% | 0.397 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E189 T190 I196 T197 | E189-A193 WeakPolarHBondContact O-CB 3.47Å; E189-A193 PolarHBondContact O-N 3.47Å; T190-A193 PolarHBondContact O-N 3.39Å; A193-I196 PolarHBondContact O-N 2.93Å; A193-T197 WeakPolarHBondContact O-CB 3.28Å; A193-T197 PolarHBondContact O-N 3.3Å; A193-T197 PolarHBondContact O-OG1 3.14Å |
| 194 | D | 94.5 | Very high | 94.9 | Very high | 94 Ų | 94 | 97.1 Ų | 97.1 | 50% | 0.503 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.6 | -44.3 | 175.1 | -68.1 | -23.3 | 0 | 0 | 0 | 111.2 | T190 R191 T197 Q198 | T190-D194 VanDerWaalsContact O-CG 3.24Å; T190-D194 PolarHBondContact O-N 3.45Å; R191-D194 PolarHBondContact O-N 3.43Å; D194-T197 PolarHBondContact O-N 2.9Å; D194-Q198 WeakPolarHBondContact O-CG 3.28Å; D194-Q198 PolarHBondContact O-N 2.92Å |
| 195 | M | 95.3 | Very high | 94.8 | Very high | 117 Ų | 117 | 96 Ų | 96 | 58% | 0.576 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.7 | -42.2 | 176.2 | -75.4 | 179.7 | 68.8 | 0 | 0 | 112.3 | R191 A192 T197 Q198 M199 | R191-M195 WeakPolarHBondContact O-CB 3.38Å; R191-M195 VanDerWaalsContact O-CG 3.28Å; R191-M195 WeakPolarHBondContact O-CG 3.45Å; R191-M195 PolarHBondContact O-N 3.4Å; A192-M195 PolarHBondContact O-N 2.89Å; M195-T197 VanDerWaalsContact C-N 3.35Å; M195-Q198 PolarHBondContact O-N 3.36Å; M195-M199 WeakPolarHBondContact O-CB 3.35Å; M195-M199 VanDerWaalsContact O-CG 3.28Å; M195-M199 WeakPolarHBondContact O-CG 3.48Å; M195-M199 PolarHBondContact O-N 3.29Å |
| 196 | I | 95.1 | Very high | 94.8 | Very high | 95 Ų | 95 | 100.1 Ų | 100.1 | 49% | 0.487 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.1 | -45.7 | 175.5 | -70.2 | 165.9 | 0 | 0 | 0 | 109.9 | A192 A193 Q198 M199 E200 | A192-I196 VanDerWaalsContact O-CG1 3.28Å; A192-I196 WeakPolarHBondContact O-CG1 3.43Å; A192-I196 PolarHBondContact O-N 3.17Å; A193-I196 PolarHBondContact O-N 2.93Å; I196-Q198 PolarHBondContact O-N 3.26Å; I196-M199 WeakPolarHBondContact O-CB 3.28Å; I196-M199 PolarHBondContact O-N 2.86Å; I196-M199 VanDerWaalsContact O-N 3.17Å; I196-E200 HydrophobicContact CG2-CG 4.44Å; I196-E200 WeakPolarHBondContact O-CG 3.41Å; I196-E200 PolarHBondContact O-N 2.93Å |
| 197 | T | 95.2 | Very high | 94.8 | Very high | 65 Ų | 65 | 104.1 Ų | 104.1 | 40% | 0.399 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.4 | -45.2 | 178.4 | -55.3 | 0 | 0 | 0 | 0 | 111.4 | A193 D194 M195 E200 Q201 | A193-T197 WeakPolarHBondContact O-CB 3.28Å; A193-T197 PolarHBondContact O-N 3.3Å; A193-T197 PolarHBondContact O-OG1 3.14Å; D194-T197 PolarHBondContact O-N 2.9Å; M195-T197 VanDerWaalsContact C-N 3.35Å; T197-E200 PolarHBondContact O-N 3.35Å; T197-Q201 WeakPolarHBondContact O-CG 3.47Å; T197-Q201 PolarHBondContact O-N 2.82Å |
| 198 | Q | 94.3 | Very high | 94.8 | Very high | 106 Ų | 106 | 106 Ų | 106 | 50% | 0.495 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 174.7 | -72.8 | 176.8 | 7.6 | 0 | 0 | 111.6 | D194 M195 I196 E200 Q201 Y202 | D194-Q198 WeakPolarHBondContact O-CG 3.28Å; D194-Q198 PolarHBondContact O-N 2.92Å; M195-Q198 PolarHBondContact O-N 3.36Å; I196-Q198 PolarHBondContact O-N 3.26Å; Q198-E200 VanDerWaalsContact C-N 3.32Å; Q198-E200 PolarHBondContact O-N 2.99Å; Q198-Q201 PolarHBondContact O-N 3.31Å; Q198-Y202 WeakPolarHBondContact O-CD2 3.09Å; Q198-Y202 PolarHBondContact O-N 2.9Å |
| 199 | M | 95.3 | Very high | 94.9 | Very high | 109 Ų | 109 | 109.3 Ų | 109.3 | 54% | 0.537 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.2 | -38.3 | 176.7 | -76.4 | -178.9 | 66.6 | 0 | 0 | 112.4 | M195 I196 K203 | M195-M199 WeakPolarHBondContact O-CB 3.35Å; M195-M199 VanDerWaalsContact O-CG 3.28Å; M195-M199 WeakPolarHBondContact O-CG 3.48Å; M195-M199 PolarHBondContact O-N 3.29Å; I196-M199 WeakPolarHBondContact O-CB 3.28Å; I196-M199 PolarHBondContact O-N 2.86Å; I196-M199 VanDerWaalsContact O-N 3.17Å; M199-K203 WeakPolarHBondContact O-CB 3.36Å; M199-K203 VanDerWaalsContact O-CG 3.3Å; M199-K203 WeakPolarHBondContact O-CG 3.4Å; M199-K203 PolarHBondContact O-N 2.93Å |
| 200 | E | 94.9 | Very high | 94.9 | Very high | 120 Ų | 120 | 107.7 Ų | 107.7 | 56% | 0.561 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.9 | -42.1 | 175.6 | -73.9 | 177.6 | 172.5 | 0 | 0 | 111.7 | I196 T197 Q198 K203 E204 | I196-E200 HydrophobicContact CG2-CG 4.44Å; I196-E200 WeakPolarHBondContact O-CG 3.41Å; I196-E200 PolarHBondContact O-N 2.93Å; T197-E200 PolarHBondContact O-N 3.35Å; Q198-E200 VanDerWaalsContact C-N 3.32Å; Q198-E200 PolarHBondContact O-N 2.99Å; E200-K203 PolarHBondContact O-N 2.71Å; E200-E204 PolarHBondContact O-N 3.04Å |
| 201 | Q | 95.3 | Very high | 95 | Very high | 112 Ų | 112 | 108.5 Ų | 108.5 | 52% | 0.523 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.3 | -48.6 | 172.7 | -73.2 | 174.2 | -6.2 | 0 | 0 | 111.5 | T197 Q198 K203 E204 E205 | T197-Q201 WeakPolarHBondContact O-CG 3.47Å; T197-Q201 PolarHBondContact O-N 2.82Å; Q198-Q201 PolarHBondContact O-N 3.31Å; Q201-K203 VanDerWaalsContact C-N 3.31Å; Q201-K203 PolarHBondContact O-N 3.43Å; Q201-E204 PolarHBondContact O-N 3.33Å; Q201-E204 VanDerWaalsContact O-N 3.14Å; Q201-E205 WeakPolarHBondContact O-CG 3.3Å; Q201-E205 PolarHBondContact O-N 3.07Å |
| 202 | Y | 94.7 | Very high | 95 | Very high | 159 Ų | 159 | 106.5 Ų | 106.5 | 62% | 0.624 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.9 | -36.2 | 176.4 | -79.6 | -59.6 | 0 | 0 | 0 | 113.2 | Q198 R206 | Q198-Y202 WeakPolarHBondContact O-CD2 3.09Å; Q198-Y202 PolarHBondContact O-N 2.9Å; Y202-R206 WeakPolarHBondContact O-CB 3.38Å; Y202-R206 PolarHBondContact O-N 2.93Å |
| 203 | K | 94.2 | Very high | 95.1 | Very high | 144 Ų | 144 | 110.2 Ų | 110.2 | 63% | 0.626 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.1 | -42.6 | 174 | -79.3 | 175.4 | -177.9 | 176.5 | 0 | 111.2 | M199 E200 Q201 R206 R207 | M199-K203 WeakPolarHBondContact O-CB 3.36Å; M199-K203 VanDerWaalsContact O-CG 3.3Å; M199-K203 WeakPolarHBondContact O-CG 3.4Å; M199-K203 PolarHBondContact O-N 2.93Å; E200-K203 PolarHBondContact O-N 2.71Å; Q201-K203 VanDerWaalsContact C-N 3.31Å; Q201-K203 PolarHBondContact O-N 3.43Å; K203-R206 PolarHBondContact O-N 2.89Å; K203-R207 WeakPolarHBondContact O-CB 3.48Å; K203-R207 PolarHBondContact O-N 3.46Å |
| 204 | E | 95.3 | Very high | 95.2 | Very high | 77 Ų | 77 | 112.5 Ų | 112.5 | 36% | 0.36 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -69.4 | -43.2 | 178.6 | -173.4 | 56.8 | -157.2 | 0 | 0 | 111.9 | E200 Q201 R206 R207 L208 | E200-E204 PolarHBondContact O-N 3.04Å; Q201-E204 PolarHBondContact O-N 3.33Å; Q201-E204 VanDerWaalsContact O-N 3.14Å; E204-R206 VanDerWaalsContact C-N 3.31Å; E204-R206 PolarHBondContact O-N 2.85Å; E204-R207 VanDerWaalsContact CD-NE 3.35Å; E204-R207 WeakPolarHBondContact O-CA 3.32Å; E204-R207 WeakPolarHBondContact O-CB 3.47Å; E204-R207 PolarHBondContact O-N 3.38Å; E204-R207 IonicContact OE1-CZ 2.69Å; E204-R207 VanDerWaalsContact OE1-CZ 3.3Å; E204-R207 IonicContact OE1-NE 3.71Å; E204-R207 PolarHBondContact OE1-NE 2.87Å; E204-R207 IonicContact OE1-NH2 3.3Å; E204-R207 PolarHBondContact OE1-NH2 3.02Å; E204-R207 IonicContact OE2-CZ 2.67Å; E204-R207 IonicContact OE2-NE 2.71Å; E204-R207 PolarHBondContact OE2-NE 3.39Å; E204-R207 IonicContact OE2-NH2 3.64Å; E204-L208 HydrophobicContact CG-CD1 4.46Å; E204-L208 WeakPolarHBondContact O-CG 3.4Å; E204-L208 PolarHBondContact O-N 3.3Å |
| 205 | E | 94.6 | Very high | 95.3 | Very high | 115 Ų | 115 | 115.1 Ų | 115.1 | 54% | 0.537 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -57 | -44.6 | 172.5 | -74.8 | 178.7 | 176.9 | 0 | 0 | 111.6 | Q201 R207 L208 L209 | Q201-E205 WeakPolarHBondContact O-CG 3.3Å; Q201-E205 PolarHBondContact O-N 3.07Å; E205-R207 VanDerWaalsContact C-N 3.32Å; E205-R207 PolarHBondContact O-N 3.46Å; E205-L208 PolarHBondContact O-N 2.86Å; E205-L209 WeakPolarHBondContact O-CB 3.32Å; E205-L209 PolarHBondContact O-N 3.18Å |
| 206 | R | 95 | Very high | 95.3 | Very high | 180 Ų | 180 | 113.3 Ų | 113.3 | 68% | 0.679 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.9 | -36.8 | 175.6 | -172.7 | -178 | -76.2 | -165.9 | -3.1 | 111.7 | Y202 K203 E204 N210 | Y202-R206 WeakPolarHBondContact O-CB 3.38Å; Y202-R206 PolarHBondContact O-N 2.93Å; K203-R206 PolarHBondContact O-N 2.89Å; E204-R206 VanDerWaalsContact C-N 3.31Å; E204-R206 PolarHBondContact O-N 2.85Å; R206-N210 WeakPolarHBondContact O-CB 3.38Å; R206-N210 VanDerWaalsContact O-CG 3.27Å; R206-N210 PolarHBondContact O-N 3.21Å; R206-N210 PolarHBondContact O-ND2 3.31Å |
| 207 | R | 95.7 | Very high | 95.4 | Very high | 148 Ų | 148 | 113 Ų | 113 | 56% | 0.558 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.3 | -49 | 174.6 | -168.7 | -177.5 | 79.5 | 115 | 3.3 | 110.4 | K203 E204 E205 N210 V211 | K203-R207 WeakPolarHBondContact O-CB 3.48Å; K203-R207 PolarHBondContact O-N 3.46Å; E204-R207 VanDerWaalsContact CD-NE 3.35Å; E204-R207 WeakPolarHBondContact O-CA 3.32Å; E204-R207 WeakPolarHBondContact O-CB 3.47Å; E204-R207 PolarHBondContact O-N 3.38Å; E204-R207 IonicContact OE1-CZ 2.69Å; E204-R207 VanDerWaalsContact OE1-CZ 3.3Å; E204-R207 IonicContact OE1-NE 3.71Å; E204-R207 PolarHBondContact OE1-NE 2.87Å; E204-R207 IonicContact OE1-NH2 3.3Å; E204-R207 PolarHBondContact OE1-NH2 3.02Å; E204-R207 IonicContact OE2-CZ 2.67Å; E204-R207 IonicContact OE2-NE 2.71Å; E204-R207 PolarHBondContact OE2-NE 3.39Å; E204-R207 IonicContact OE2-NH2 3.64Å; E205-R207 VanDerWaalsContact C-N 3.32Å; E205-R207 PolarHBondContact O-N 3.46Å; R207-N210 PolarHBondContact O-N 2.88Å; R207-V211 WeakPolarHBondContact O-CG2 3.41Å; R207-V211 PolarHBondContact O-N 3.32Å |
| 208 | L | 95.5 | Very high | 95.4 | Very high | 97 Ų | 97 | 113.7 Ų | 113.7 | 51% | 0.508 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.5 | -45.4 | 177.7 | -68.7 | 174 | 0 | 0 | 0 | 111.8 | E204 E205 N210 V211 E212 | E204-L208 HydrophobicContact CG-CD1 4.46Å; E204-L208 WeakPolarHBondContact O-CG 3.4Å; E204-L208 PolarHBondContact O-N 3.3Å; E205-L208 PolarHBondContact O-N 2.86Å; L208-N210 VanDerWaalsContact C-N 3.3Å; L208-N210 PolarHBondContact O-N 3.33Å; L208-V211 PolarHBondContact O-N 3.49Å; L208-E212 PolarHBondContact O-N 2.93Å |
| 209 | L | 95.6 | Very high | 95.5 | Very high | 112 Ų | 112 | 116.2 Ų | 116.2 | 59% | 0.586 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.8 | -39.5 | 175.8 | -173.3 | 70.9 | 0 | 0 | 0 | 111.9 | E205 E212 K213 | E205-L209 WeakPolarHBondContact O-CB 3.32Å; E205-L209 PolarHBondContact O-N 3.18Å; L209-E212 PolarHBondContact O-N 3.44Å; L209-K213 VanDerWaalsContact O-CB 3.26Å; L209-K213 WeakPolarHBondContact O-CB 3.39Å; L209-K213 PolarHBondContact O-N 3.25Å |
| 210 | N | 95.9 | Very high | 95.5 | Very high | 92 Ų | 92 | 114.6 Ų | 114.6 | 49% | 0.492 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.1 | -39.5 | 175.6 | -77.8 | -22.4 | 0 | 0 | 0 | 112.2 | R206 R207 L208 K213 Q214 | R206-N210 WeakPolarHBondContact O-CB 3.38Å; R206-N210 VanDerWaalsContact O-CG 3.27Å; R206-N210 PolarHBondContact O-N 3.21Å; R206-N210 PolarHBondContact O-ND2 3.31Å; R207-N210 PolarHBondContact O-N 2.88Å; L208-N210 VanDerWaalsContact C-N 3.3Å; L208-N210 PolarHBondContact O-N 3.33Å; N210-K213 PolarHBondContact O-N 3.39Å; N210-Q214 WeakPolarHBondContact O-CB 3.34Å; N210-Q214 PolarHBondContact O-N 2.85Å |
| 211 | V | 95.5 | Very high | 95.6 | Very high | 87 Ų | 87 | 113.9 Ų | 113.9 | 53% | 0.527 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.6 | -43.8 | 174 | 174.9 | 0 | 0 | 0 | 0 | 110.8 | R207 L208 Q214 K215 | R207-V211 WeakPolarHBondContact O-CG2 3.41Å; R207-V211 PolarHBondContact O-N 3.32Å; L208-V211 PolarHBondContact O-N 3.49Å; V211-Q214 PolarHBondContact O-N 3.44Å; V211-K215 WeakPolarHBondContact O-CB 3.33Å; V211-K215 PolarHBondContact O-N 2.83Å |
| 212 | E | 95.5 | Very high | 95.6 | Very high | 113 Ų | 113 | 114.1 Ų | 114.1 | 53% | 0.528 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 176.6 | -176.2 | 170.8 | -154.1 | 0 | 0 | 111.9 | L208 L209 Q214 K215 N216 | L208-E212 PolarHBondContact O-N 2.93Å; L209-E212 PolarHBondContact O-N 3.44Å; E212-Q214 PolarHBondContact O-N 2.9Å; E212-K215 PolarHBondContact O-N 2.97Å; E212-N216 WeakPolarHBondContact O-CB 3.26Å; E212-N216 VanDerWaalsContact O-CG 3.3Å; E212-N216 PolarHBondContact O-N 3.36Å; E212-N216 PolarHBondContact O-ND2 3.11Å |
| 213 | K | 95.1 | Very high | 95.7 | Very high | 125 Ų | 125 | 110.9 Ų | 110.9 | 54% | 0.543 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59 | -46.1 | 173.2 | -176.9 | -178.1 | 176.5 | -175.9 | 0 | 111.4 | L209 N210 N216 Q217 | L209-K213 VanDerWaalsContact O-CB 3.26Å; L209-K213 WeakPolarHBondContact O-CB 3.39Å; L209-K213 PolarHBondContact O-N 3.25Å; N210-K213 PolarHBondContact O-N 3.39Å; K213-N216 PolarHBondContact O-N 2.95Å; K213-Q217 WeakPolarHBondContact O-CG 3.45Å; K213-Q217 PolarHBondContact O-N 2.81Å |
| 214 | Q | 96.1 | Very high | 95.8 | Very high | 96 Ų | 96 | 109.4 Ų | 109.4 | 45% | 0.449 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.7 | -46.5 | 176.5 | -174.6 | 62.6 | 43.3 | 0 | 0 | 111 | N210 V211 E212 N216 Q217 D218 | N210-Q214 WeakPolarHBondContact O-CB 3.34Å; N210-Q214 PolarHBondContact O-N 2.85Å; V211-Q214 PolarHBondContact O-N 3.44Å; E212-Q214 PolarHBondContact O-N 2.9Å; Q214-N216 VanDerWaalsContact C-N 3.27Å; Q214-N216 PolarHBondContact O-N 3.42Å; Q214-Q217 CarbonylContact O-C 3.59Å; Q214-Q217 WeakPolarHBondContact O-CA 3.41Å; Q214-Q217 WeakPolarHBondContact O-CB 3.48Å; Q214-Q217 PolarHBondContact O-N 3.05Å; Q214-D218 PolarHBondContact NE2-OD1 2.94Å; Q214-D218 PolarHBondContact O-N 2.91Å |
| 215 | K | 96.5 | Very high | 95.8 | Very high | 149 Ų | 149 | 107.6 Ų | 107.6 | 65% | 0.648 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -57.4 | -40.3 | 175.9 | -176.6 | -177.5 | 178.5 | -176.4 | 0 | 112.1 | V211 E212 R219 | V211-K215 WeakPolarHBondContact O-CB 3.33Å; V211-K215 PolarHBondContact O-N 2.83Å; E212-K215 PolarHBondContact O-N 2.97Å; K215-R219 WeakPolarHBondContact O-CB 3.34Å; K215-R219 PolarHBondContact O-N 3.3Å |
| 216 | N | 96.4 | Very high | 95.9 | Very high | 78 Ų | 78 | 106.5 Ų | 106.5 | 42% | 0.417 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.1 | -37.9 | 175.8 | -73.8 | -27.4 | 0 | 0 | 0 | 111.8 | E212 K213 Q214 R219 V220 | E212-N216 WeakPolarHBondContact O-CB 3.26Å; E212-N216 VanDerWaalsContact O-CG 3.3Å; E212-N216 PolarHBondContact O-N 3.36Å; E212-N216 PolarHBondContact O-ND2 3.11Å; K213-N216 PolarHBondContact O-N 2.95Å; Q214-N216 VanDerWaalsContact C-N 3.27Å; Q214-N216 PolarHBondContact O-N 3.42Å; N216-R219 PolarHBondContact O-N 3.32Å; N216-V220 VanDerWaalsContact O-CG2 3.31Å; N216-V220 WeakPolarHBondContact O-CG2 3.31Å; N216-V220 PolarHBondContact O-N 3.42Å |
| 217 | Q | 95.8 | Very high | 96 | Very high | 88 Ų | 88 | 103.1 Ų | 103.1 | 41% | 0.411 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.7 | -45.4 | 173 | -73.9 | 175.1 | -28.4 | 0 | 0 | 111.6 | K213 Q214 R219 V220 L221 | K213-Q217 WeakPolarHBondContact O-CG 3.45Å; K213-Q217 PolarHBondContact O-N 2.81Å; Q214-Q217 CarbonylContact O-C 3.59Å; Q214-Q217 WeakPolarHBondContact O-CA 3.41Å; Q214-Q217 WeakPolarHBondContact O-CB 3.48Å; Q214-Q217 PolarHBondContact O-N 3.05Å; Q217-R219 VanDerWaalsContact C-N 3.31Å; Q217-R219 PolarHBondContact O-N 2.85Å; Q217-V220 PolarHBondContact O-N 3.26Å; Q217-L221 WeakPolarHBondContact O-CG 3.27Å; Q217-L221 PolarHBondContact O-N 2.86Å |
| 218 | D | 96 | Very high | 96.1 | Very high | 80 Ų | 80 | 101.9 Ų | 101.9 | 43% | 0.428 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.6 | -41 | 176.5 | -61.8 | -21.7 | 0 | 0 | 0 | 110.9 | Q214 L221 E222 | Q214-D218 PolarHBondContact NE2-OD1 2.94Å; Q214-D218 PolarHBondContact O-N 2.91Å; D218-L221 PolarHBondContact O-N 3.25Å; D218-E222 PolarHBondContact O-N 2.9Å |
| 219 | R | 96.9 | Very high | 96.2 | Very high | 159 Ų | 159 | 103.8 Ų | 103.8 | 60% | 0.6 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.1 | -38.7 | 174.8 | -173.3 | 177.3 | -175 | -177.7 | 1.7 | 112.7 | K215 N216 Q217 E222 L223 | K215-R219 WeakPolarHBondContact O-CB 3.34Å; K215-R219 PolarHBondContact O-N 3.3Å; N216-R219 PolarHBondContact O-N 3.32Å; Q217-R219 VanDerWaalsContact C-N 3.31Å; Q217-R219 PolarHBondContact O-N 2.85Å; R219-E222 PolarHBondContact O-N 3.42Å; R219-L223 HydrophobicContact CG-CD1 4.32Å; R219-L223 WeakPolarHBondContact O-CB 3.45Å; R219-L223 VanDerWaalsContact O-CG 3.31Å; R219-L223 WeakPolarHBondContact O-CG 3.31Å; R219-L223 PolarHBondContact O-N 2.84Å |
| 220 | V | 95.9 | Very high | 96.2 | Very high | 75 Ų | 75 | 100.7 Ų | 100.7 | 46% | 0.455 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.5 | -45.7 | 174.6 | 167.6 | 0 | 0 | 0 | 0 | 110 | N216 Q217 E222 L223 E224 | N216-V220 VanDerWaalsContact O-CG2 3.31Å; N216-V220 WeakPolarHBondContact O-CG2 3.31Å; N216-V220 PolarHBondContact O-N 3.42Å; Q217-V220 PolarHBondContact O-N 3.26Å; V220-E222 VanDerWaalsContact C-N 3.32Å; V220-E222 PolarHBondContact O-N 3.29Å; V220-L223 PolarHBondContact O-N 2.85Å; V220-E224 HydrophobicContact CG1-CG 4.41Å; V220-E224 WeakPolarHBondContact O-CB 3.48Å; V220-E224 WeakPolarHBondContact O-CG 3.46Å; V220-E224 PolarHBondContact O-N 2.95Å |
| 221 | L | 95.8 | Very high | 96.2 | Very high | 106 Ų | 106 | 100.5 Ų | 100.5 | 56% | 0.555 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.9 | -38.8 | 176.1 | -67.7 | 172.5 | 0 | 0 | 0 | 112.4 | Q217 D218 E224 A225 | Q217-L221 WeakPolarHBondContact O-CG 3.27Å; Q217-L221 PolarHBondContact O-N 2.86Å; D218-L221 PolarHBondContact O-N 3.25Å; L221-E224 PolarHBondContact O-N 3.38Å; L221-A225 WeakPolarHBondContact O-CB 3.34Å; L221-A225 PolarHBondContact O-N 3.48Å |
| 222 | E | 96.2 | Very high | 96.3 | Very high | 117 Ų | 117 | 100.7 Ų | 100.7 | 55% | 0.547 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.5 | -45.5 | 175.3 | -174 | 172.6 | -151.3 | 0 | 0 | 111.6 | D218 R219 V220 A225 E226 | D218-E222 PolarHBondContact O-N 2.9Å; R219-E222 PolarHBondContact O-N 3.42Å; V220-E222 VanDerWaalsContact C-N 3.32Å; V220-E222 PolarHBondContact O-N 3.29Å; E222-A225 PolarHBondContact O-N 3.01Å; E222-E226 WeakPolarHBondContact O-CG 3.5Å; E222-E226 PolarHBondContact O-N 3.18Å |
| 223 | L | 96.1 | Very high | 96.3 | Very high | 90 Ų | 90 | 102.3 Ų | 102.3 | 47% | 0.471 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.3 | -38.1 | 175.9 | -71.5 | 172.7 | 0 | 0 | 0 | 112.4 | R219 V220 A225 E226 L227 | R219-L223 HydrophobicContact CG-CD1 4.32Å; R219-L223 WeakPolarHBondContact O-CB 3.45Å; R219-L223 VanDerWaalsContact O-CG 3.31Å; R219-L223 WeakPolarHBondContact O-CG 3.31Å; R219-L223 PolarHBondContact O-N 2.84Å; V220-L223 PolarHBondContact O-N 2.85Å; L223-A225 VanDerWaalsContact C-N 3.34Å; L223-E226 PolarHBondContact O-N 3.44Å; L223-L227 VanDerWaalsContact O-CB 3.27Å; L223-L227 WeakPolarHBondContact O-CB 3.35Å; L223-L227 PolarHBondContact O-N 3.36Å |
| 224 | E | 95.9 | Very high | 96.3 | Very high | 114 Ų | 114 | 100.8 Ų | 100.8 | 53% | 0.533 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.9 | -41.3 | 173 | -75.8 | 176.5 | 173.1 | 0 | 0 | 111.2 | V220 L221 L227 F228 | V220-E224 HydrophobicContact CG1-CG 4.41Å; V220-E224 WeakPolarHBondContact O-CB 3.48Å; V220-E224 WeakPolarHBondContact O-CG 3.46Å; V220-E224 PolarHBondContact O-N 2.95Å; L221-E224 PolarHBondContact O-N 3.38Å; E224-L227 PolarHBondContact O-N 2.81Å; E224-F228 VanDerWaalsContact O-CB 3.27Å; E224-F228 WeakPolarHBondContact O-CB 3.49Å; E224-F228 PolarHBondContact O-N 2.86Å |
| 225 | A | 96.5 | Very high | 96.4 | Very high | 38 Ų | 38 | 101.6 Ų | 101.6 | 31% | 0.314 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.9 | -39.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L221 E222 L223 F228 R229 | L221-A225 WeakPolarHBondContact O-CB 3.34Å; L221-A225 PolarHBondContact O-N 3.48Å; E222-A225 PolarHBondContact O-N 3.01Å; L223-A225 VanDerWaalsContact C-N 3.34Å; A225-F228 PolarHBondContact O-N 2.93Å; A225-R229 WeakPolarHBondContact O-CB 3.42Å; A225-R229 WeakPolarHBondContact O-CG 3.33Å; A225-R229 PolarHBondContact O-N 2.94Å |
| 226 | E | 96.7 | Very high | 96.4 | Very high | 92 Ų | 92 | 98.7 Ų | 98.7 | 43% | 0.43 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63 | -46.1 | 172.7 | -77 | -177.8 | 178.1 | 0 | 0 | 112.2 | E222 L223 F228 R229 A230 | E222-E226 WeakPolarHBondContact O-CG 3.5Å; E222-E226 PolarHBondContact O-N 3.18Å; L223-E226 PolarHBondContact O-N 3.44Å; E226-F228 VanDerWaalsContact C-N 3.32Å; E226-F228 PolarHBondContact O-N 3.32Å; E226-R229 PolarHBondContact O-N 3.48Å; E226-A230 WeakPolarHBondContact O-CB 3.42Å; E226-A230 PolarHBondContact O-N 3.47Å |
| 227 | L | 96.7 | Very high | 96.4 | Very high | 109 Ų | 109 | 100 Ų | 100 | 57% | 0.571 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.2 | -40.7 | 177.2 | -173.6 | 148.1 | 0 | 0 | 0 | 110.9 | L223 E224 A230 N231 | L223-L227 VanDerWaalsContact O-CB 3.27Å; L223-L227 WeakPolarHBondContact O-CB 3.35Å; L223-L227 PolarHBondContact O-N 3.36Å; E224-L227 PolarHBondContact O-N 2.81Å; L227-A230 PolarHBondContact O-N 2.93Å; L227-N231 VanDerWaalsContact CD2-ND2 3.33Å; L227-N231 WeakPolarHBondContact CD2-ND2 3.37Å; L227-N231 WeakPolarHBondContact O-CB 3.41Å; L227-N231 VanDerWaalsContact O-CG 3.31Å; L227-N231 PolarHBondContact O-N 3.44Å |
| 228 | F | 97.3 | Very high | 96.4 | Very high | 122 Ų | 122 | 101.1 Ų | 101.1 | 54% | 0.535 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.3 | -47.4 | 173.4 | -178.8 | -100.8 | 0 | 0 | 0 | 111.8 | E224 A225 E226 A230 N231 Q232 | E224-F228 VanDerWaalsContact O-CB 3.27Å; E224-F228 WeakPolarHBondContact O-CB 3.49Å; E224-F228 PolarHBondContact O-N 2.86Å; A225-F228 PolarHBondContact O-N 2.93Å; E226-F228 VanDerWaalsContact C-N 3.32Å; E226-F228 PolarHBondContact O-N 3.32Å; F228-A230 VanDerWaalsContact C-N 3.33Å; F228-A230 PolarHBondContact O-N 3.26Å; F228-N231 PolarHBondContact O-N 2.89Å; F228-Q232 HydrophobicContact CD1-CG 4.4Å; F228-Q232 HydrophobicContact CE1-CG 4.06Å; F228-Q232 HydrophobicContact CZ-CG 4.18Å; F228-Q232 WeakPolarHBondContact O-CG 3.47Å; F228-Q232 PolarHBondContact O-N 3.47Å |
| 229 | R | 97.1 | Very high | 96.4 | Very high | 137 Ų | 137 | 102 Ų | 102 | 52% | 0.517 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.4 | -39.8 | 174.7 | -74.5 | -172.9 | -64.4 | -104.4 | 5.7 | 112.3 | A225 E226 Q232 K233 | A225-R229 WeakPolarHBondContact O-CB 3.42Å; A225-R229 WeakPolarHBondContact O-CG 3.33Å; A225-R229 PolarHBondContact O-N 2.94Å; E226-R229 PolarHBondContact O-N 3.48Å; R229-Q232 PolarHBondContact O-N 2.85Å; R229-K233 WeakPolarHBondContact O-CB 3.27Å; R229-K233 PolarHBondContact O-N 3.44Å |
| 230 | A | 95.3 | Very high | 96.4 | Very high | 48 Ų | 48 | 98.7 Ų | 98.7 | 40% | 0.397 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.4 | -43.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | E226 L227 F228 K233 I234 | E226-A230 WeakPolarHBondContact O-CB 3.42Å; E226-A230 PolarHBondContact O-N 3.47Å; L227-A230 PolarHBondContact O-N 2.93Å; F228-A230 VanDerWaalsContact C-N 3.33Å; F228-A230 PolarHBondContact O-N 3.26Å; A230-K233 WeakPolarHBondContact O-CB 3.33Å; A230-K233 PolarHBondContact O-N 2.95Å; A230-I234 WeakPolarHBondContact O-CG1 3.29Å; A230-I234 PolarHBondContact O-N 2.86Å |
| 231 | N | 96.6 | Very high | 96.4 | Very high | 87 Ų | 87 | 99 Ų | 99 | 47% | 0.465 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.2 | -44.2 | 175.3 | -75.4 | -13.9 | 0 | 0 | 0 | 112 | L227 F228 K233 I234 E235 | L227-N231 VanDerWaalsContact CD2-ND2 3.33Å; L227-N231 WeakPolarHBondContact CD2-ND2 3.37Å; L227-N231 WeakPolarHBondContact O-CB 3.41Å; L227-N231 VanDerWaalsContact O-CG 3.31Å; L227-N231 PolarHBondContact O-N 3.44Å; F228-N231 PolarHBondContact O-N 2.89Å; N231-K233 VanDerWaalsContact C-N 3.3Å; N231-K233 PolarHBondContact O-N 3.22Å; N231-I234 PolarHBondContact O-N 3.28Å; N231-E235 WeakPolarHBondContact O-CB 3.5Å; N231-E235 PolarHBondContact O-N 3.19Å |
| 232 | Q | 97 | Very high | 96.4 | Very high | 92 Ų | 92 | 99.8 Ų | 99.8 | 43% | 0.43 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.2 | -41.6 | 173.1 | -75 | -172.9 | -29.4 | 0 | 0 | 111.7 | F228 R229 E235 V236 | F228-Q232 HydrophobicContact CD1-CG 4.4Å; F228-Q232 HydrophobicContact CE1-CG 4.06Å; F228-Q232 HydrophobicContact CZ-CG 4.18Å; F228-Q232 WeakPolarHBondContact O-CG 3.47Å; F228-Q232 PolarHBondContact O-N 3.47Å; R229-Q232 PolarHBondContact O-N 2.85Å; Q232-E235 PolarHBondContact O-N 3.29Å; Q232-V236 VanDerWaalsContact O-CG2 3.31Å; Q232-V236 WeakPolarHBondContact O-CG2 3.45Å; Q232-V236 PolarHBondContact O-N 2.85Å |
| 233 | K | 97 | Very high | 96.4 | Very high | 146 Ų | 146 | 98 Ų | 98 | 64% | 0.635 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64 | -41.1 | 176.1 | -174.6 | 178.3 | 179.8 | -179.1 | 0 | 111.8 | R229 A230 N231 V236 L237 | R229-K233 WeakPolarHBondContact O-CB 3.27Å; R229-K233 PolarHBondContact O-N 3.44Å; A230-K233 WeakPolarHBondContact O-CB 3.33Å; A230-K233 PolarHBondContact O-N 2.95Å; N231-K233 VanDerWaalsContact C-N 3.3Å; N231-K233 PolarHBondContact O-N 3.22Å; K233-V236 PolarHBondContact O-N 3.4Å; K233-L237 HydrophobicContact CG-CD1 4.41Å; K233-L237 WeakPolarHBondContact O-CB 3.31Å; K233-L237 VanDerWaalsContact O-CG 3.29Å; K233-L237 WeakPolarHBondContact O-CG 3.32Å; K233-L237 PolarHBondContact O-N 2.9Å |
| 234 | I | 95.4 | Very high | 96.4 | Very high | 93 Ų | 93 | 96.5 Ų | 96.5 | 48% | 0.477 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.5 | -45.4 | 174.8 | -69.8 | 165.4 | 0 | 0 | 0 | 110.1 | A230 N231 V236 L237 L238 | A230-I234 WeakPolarHBondContact O-CG1 3.29Å; A230-I234 PolarHBondContact O-N 2.86Å; N231-I234 PolarHBondContact O-N 3.28Å; I234-V236 PolarHBondContact O-N 3.44Å; I234-L237 PolarHBondContact O-N 2.86Å; I234-L237 VanDerWaalsContact O-N 3.16Å; I234-L238 HydrophobicContact CG2-CD1 3.96Å; I234-L238 HydrophobicContact CG2-CG 4.31Å; I234-L238 WeakPolarHBondContact O-CG 3.47Å; I234-L238 PolarHBondContact O-N 3.33Å |
| 235 | E | 97 | Very high | 96.4 | Very high | 113 Ų | 113 | 94.9 Ų | 94.9 | 53% | 0.528 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.3 | -44.5 | 177.7 | -172.7 | 174.5 | -167.9 | 0 | 0 | 111.8 | N231 Q232 L237 L238 Q239 | N231-E235 WeakPolarHBondContact O-CB 3.5Å; N231-E235 PolarHBondContact O-N 3.19Å; Q232-E235 PolarHBondContact O-N 3.29Å; E235-L237 VanDerWaalsContact C-N 3.35Å; E235-L237 PolarHBondContact O-N 3.26Å; E235-L238 PolarHBondContact O-N 3.16Å; E235-Q239 WeakPolarHBondContact O-CB 3.48Å; E235-Q239 VanDerWaalsContact O-CG 3.32Å; E235-Q239 WeakPolarHBondContact O-CG 3.31Å; E235-Q239 PolarHBondContact O-N 3.46Å |
| 236 | V | 96.5 | Very high | 96.4 | Very high | 88 Ų | 88 | 97.5 Ų | 97.5 | 53% | 0.533 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.5 | -41.8 | 174 | 170.1 | 0 | 0 | 0 | 0 | 111.6 | Q232 K233 I234 Q239 Q240 | Q232-V236 VanDerWaalsContact O-CG2 3.31Å; Q232-V236 WeakPolarHBondContact O-CG2 3.45Å; Q232-V236 PolarHBondContact O-N 2.85Å; K233-V236 PolarHBondContact O-N 3.4Å; I234-V236 PolarHBondContact O-N 3.44Å; V236-Q239 PolarHBondContact O-N 2.91Å; V236-Q240 VanDerWaalsContact O-CB 3.31Å; V236-Q240 WeakPolarHBondContact O-CB 3.43Å; V236-Q240 PolarHBondContact O-N 3.46Å |
| 237 | L | 96.3 | Very high | 96.4 | Very high | 106 Ų | 106 | 98.5 Ų | 98.5 | 56% | 0.555 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.1 | -39.7 | 176.6 | -73.7 | 171.9 | 0 | 0 | 0 | 112 | K233 I234 E235 Q240 D241 | K233-L237 HydrophobicContact CG-CD1 4.41Å; K233-L237 WeakPolarHBondContact O-CB 3.31Å; K233-L237 VanDerWaalsContact O-CG 3.29Å; K233-L237 WeakPolarHBondContact O-CG 3.32Å; K233-L237 PolarHBondContact O-N 2.9Å; I234-L237 PolarHBondContact O-N 2.86Å; I234-L237 VanDerWaalsContact O-N 3.16Å; E235-L237 VanDerWaalsContact C-N 3.35Å; E235-L237 PolarHBondContact O-N 3.26Å; L237-Q240 PolarHBondContact O-N 2.86Å; L237-D241 WeakPolarHBondContact O-CB 3.49Å; L237-D241 PolarHBondContact O-N 3.33Å |
| 238 | L | 96.4 | Very high | 96.3 | Very high | 112 Ų | 112 | 99.5 Ų | 99.5 | 59% | 0.586 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.6 | -43.8 | 175.6 | -71.7 | 172.8 | 0 | 0 | 0 | 111.4 | I234 E235 Q240 D241 E242 | I234-L238 HydrophobicContact CG2-CD1 3.96Å; I234-L238 HydrophobicContact CG2-CG 4.31Å; I234-L238 WeakPolarHBondContact O-CG 3.47Å; I234-L238 PolarHBondContact O-N 3.33Å; E235-L238 PolarHBondContact O-N 3.16Å; L238-Q240 VanDerWaalsContact C-N 3.33Å; L238-Q240 PolarHBondContact O-N 2.85Å; L238-D241 PolarHBondContact O-N 2.86Å; L238-E242 WeakPolarHBondContact O-CB 3.25Å; L238-E242 PolarHBondContact O-N 3.21Å |
| 239 | Q | 95.9 | Very high | 96.3 | Very high | 97 Ų | 97 | 101.2 Ų | 101.2 | 45% | 0.453 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 174 | -73.3 | 175.2 | -5.6 | 0 | 0 | 111.4 | E235 V236 E242 I243 | E235-Q239 WeakPolarHBondContact O-CB 3.48Å; E235-Q239 VanDerWaalsContact O-CG 3.32Å; E235-Q239 WeakPolarHBondContact O-CG 3.31Å; E235-Q239 PolarHBondContact O-N 3.46Å; V236-Q239 PolarHBondContact O-N 2.91Å; Q239-E242 PolarHBondContact O-N 2.8Å; Q239-I243 WeakPolarHBondContact O-CB 3.27Å; Q239-I243 VanDerWaalsContact O-CG1 3.25Å; Q239-I243 WeakPolarHBondContact O-CG1 3.41Å; Q239-I243 PolarHBondContact O-N 3.29Å |
| 240 | Q | 96.3 | Very high | 96.2 | Very high | 91 Ų | 91 | 98.2 Ų | 98.2 | 43% | 0.425 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.5 | -40.7 | 176.2 | -173.8 | 61.4 | 54.2 | 0 | 0 | 111.6 | V236 L237 L238 I243 N244 | V236-Q240 VanDerWaalsContact O-CB 3.31Å; V236-Q240 WeakPolarHBondContact O-CB 3.43Å; V236-Q240 PolarHBondContact O-N 3.46Å; L237-Q240 PolarHBondContact O-N 2.86Å; L238-Q240 VanDerWaalsContact C-N 3.33Å; L238-Q240 PolarHBondContact O-N 2.85Å; Q240-I243 PolarHBondContact O-N 2.94Å; Q240-N244 PolarHBondContact NE2-OD1 2.7Å; Q240-N244 WeakPolarHBondContact O-CB 3.34Å; Q240-N244 PolarHBondContact O-N 2.88Å; Q240-N244 PolarHBondContact O-ND2 3.48Å; Q240-N244 PolarHBondContact O-OD1 2.87Å |
| 241 | D | 96.1 | Very high | 96.3 | Very high | 81 Ų | 81 | 99.8 Ų | 99.8 | 43% | 0.433 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64 | -43.1 | 175.1 | -168.2 | 60.7 | 0 | 0 | 0 | 111.2 | L237 L238 I243 N244 Q245 | L237-D241 WeakPolarHBondContact O-CB 3.49Å; L237-D241 PolarHBondContact O-N 3.33Å; L238-D241 PolarHBondContact O-N 2.86Å; D241-I243 PolarHBondContact O-N 3.41Å; D241-N244 WeakPolarHBondContact O-CB 3.47Å; D241-N244 PolarHBondContact O-N 2.84Å; D241-Q245 WeakPolarHBondContact O-CB 3.5Å; D241-Q245 VanDerWaalsContact O-CG 3.3Å; D241-Q245 WeakPolarHBondContact O-CG 3.39Å; D241-Q245 PolarHBondContact O-N 3.47Å; D241-Q245 PolarHBondContact OD2-NE2 3.47Å |
| 242 | E | 96.5 | Very high | 96.3 | Very high | 123 Ų | 123 | 99.1 Ų | 99.1 | 58% | 0.575 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.5 | -45.1 | 174.4 | -174.7 | 174.4 | -161.1 | 0 | 0 | 111.8 | L238 Q239 N244 Q245 L246 | L238-E242 WeakPolarHBondContact O-CB 3.25Å; L238-E242 PolarHBondContact O-N 3.21Å; Q239-E242 PolarHBondContact O-N 2.8Å; E242-N244 VanDerWaalsContact C-N 3.35Å; E242-N244 PolarHBondContact O-N 3.36Å; E242-Q245 PolarHBondContact O-N 2.83Å; E242-L246 HydrophobicContact CG-CD1 4.28Å; E242-L246 WeakPolarHBondContact O-CB 3.3Å; E242-L246 VanDerWaalsContact O-CG 3.29Å; E242-L246 WeakPolarHBondContact O-CG 3.39Å; E242-L246 PolarHBondContact O-N 3.26Å |
| 243 | I | 96 | Very high | 96.2 | Very high | 80 Ų | 80 | 98.4 Ų | 98.4 | 41% | 0.41 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.2 | -45.3 | 174.1 | -70.6 | 165.7 | 0 | 0 | 0 | 110.7 | Q239 Q240 D241 Q245 L246 Q247 | Q239-I243 WeakPolarHBondContact O-CB 3.27Å; Q239-I243 VanDerWaalsContact O-CG1 3.25Å; Q239-I243 WeakPolarHBondContact O-CG1 3.41Å; Q239-I243 PolarHBondContact O-N 3.29Å; Q240-I243 PolarHBondContact O-N 2.94Å; D241-I243 PolarHBondContact O-N 3.41Å; I243-Q245 VanDerWaalsContact C-N 3.34Å; I243-Q245 PolarHBondContact O-N 3.49Å; I243-L246 PolarHBondContact O-N 3.38Å; I243-Q247 HydrophobicContact CG2-CG 4.33Å; I243-Q247 WeakPolarHBondContact O-CB 3.44Å; I243-Q247 VanDerWaalsContact O-CG 3.3Å; I243-Q247 WeakPolarHBondContact O-CG 3.44Å; I243-Q247 PolarHBondContact O-N 3.38Å |
| 244 | N | 96.1 | Very high | 96.2 | Very high | 58 Ų | 58 | 96.8 Ų | 96.8 | 31% | 0.31 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.3 | -42.3 | 178.2 | -68.4 | -17 | 0 | 0 | 0 | 111.1 | Q240 D241 E242 Q247 Q248 | Q240-N244 PolarHBondContact NE2-OD1 2.7Å; Q240-N244 WeakPolarHBondContact O-CB 3.34Å; Q240-N244 PolarHBondContact O-N 2.88Å; Q240-N244 PolarHBondContact O-ND2 3.48Å; Q240-N244 PolarHBondContact O-OD1 2.87Å; D241-N244 WeakPolarHBondContact O-CB 3.47Å; D241-N244 PolarHBondContact O-N 2.84Å; E242-N244 VanDerWaalsContact C-N 3.35Å; E242-N244 PolarHBondContact O-N 3.36Å; N244-Q247 PolarHBondContact O-N 2.81Å; N244-Q248 WeakPolarHBondContact O-CB 3.39Å; N244-Q248 VanDerWaalsContact O-CG 3.27Å; N244-Q248 WeakPolarHBondContact O-CG 3.29Å; N244-Q248 PolarHBondContact O-N 3.29Å |
| 245 | Q | 96.1 | Very high | 96.3 | Very high | 79 Ų | 79 | 96 Ų | 96 | 37% | 0.369 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 175.6 | -72.3 | -177.5 | 27.8 | 0 | 0 | 111.5 | D241 E242 I243 Q248 R249 | D241-Q245 WeakPolarHBondContact O-CB 3.5Å; D241-Q245 VanDerWaalsContact O-CG 3.3Å; D241-Q245 WeakPolarHBondContact O-CG 3.39Å; D241-Q245 PolarHBondContact O-N 3.47Å; D241-Q245 PolarHBondContact OD2-NE2 3.47Å; E242-Q245 PolarHBondContact O-N 2.83Å; I243-Q245 VanDerWaalsContact C-N 3.34Å; I243-Q245 PolarHBondContact O-N 3.49Å; Q245-Q248 PolarHBondContact O-N 3.49Å; Q245-R249 WeakPolarHBondContact O-CB 3.3Å; Q245-R249 VanDerWaalsContact O-CG 3.27Å; Q245-R249 WeakPolarHBondContact O-CG 3.46Å; Q245-R249 PolarHBondContact O-N 2.87Å |
| 246 | L | 96.4 | Very high | 96.2 | Very high | 94 Ų | 94 | 95.7 Ų | 95.7 | 49% | 0.492 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.9 | -41.7 | 175.2 | -72.8 | 173.3 | 0 | 0 | 0 | 111.6 | E242 I243 R249 S250 | E242-L246 HydrophobicContact CG-CD1 4.28Å; E242-L246 WeakPolarHBondContact O-CB 3.3Å; E242-L246 VanDerWaalsContact O-CG 3.29Å; E242-L246 WeakPolarHBondContact O-CG 3.39Å; E242-L246 PolarHBondContact O-N 3.26Å; I243-L246 PolarHBondContact O-N 3.38Å; L246-R249 PolarHBondContact O-N 3.43Å; L246-S250 WeakPolarHBondContact O-CB 3.42Å; L246-S250 PolarHBondContact O-N 3.47Å; L246-S250 PolarHBondContact O-OG 2.81Å |
| 247 | Q | 96.1 | Very high | 96.1 | Very high | 112 Ų | 112 | 95 Ų | 95 | 52% | 0.523 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.8 | -47.6 | 174.3 | -76.2 | 176.8 | -7.9 | 0 | 0 | 111.1 | I243 N244 R249 S250 E251 | I243-Q247 HydrophobicContact CG2-CG 4.33Å; I243-Q247 WeakPolarHBondContact O-CB 3.44Å; I243-Q247 VanDerWaalsContact O-CG 3.3Å; I243-Q247 WeakPolarHBondContact O-CG 3.44Å; I243-Q247 PolarHBondContact O-N 3.38Å; N244-Q247 PolarHBondContact O-N 2.81Å; Q247-R249 VanDerWaalsContact C-N 3.35Å; Q247-R249 PolarHBondContact O-N 2.74Å; Q247-S250 WeakPolarHBondContact CA-OG 3.26Å; Q247-S250 PolarHBondContact O-N 2.84Å; Q247-S250 PolarHBondContact O-OG 3.35Å; Q247-E251 WeakPolarHBondContact O-CB 3.44Å; Q247-E251 PolarHBondContact O-N 3.3Å |
| 248 | Q | 95.6 | Very high | 96.1 | Very high | 130 Ų | 130 | 94.2 Ų | 94.2 | 61% | 0.607 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -58.4 | -46.2 | 175.4 | -76 | 175.2 | 1.6 | 0 | 0 | 111.5 | N244 Q245 S250 E251 V252 | N244-Q248 WeakPolarHBondContact O-CB 3.39Å; N244-Q248 VanDerWaalsContact O-CG 3.27Å; N244-Q248 WeakPolarHBondContact O-CG 3.29Å; N244-Q248 PolarHBondContact O-N 3.29Å; Q245-Q248 PolarHBondContact O-N 3.49Å; Q248-S250 PolarHBondContact O-N 3.45Å; Q248-E251 PolarHBondContact O-N 3.36Å; Q248-V252 WeakPolarHBondContact O-CB 3.27Å; Q248-V252 VanDerWaalsContact O-CG2 3.26Å; Q248-V252 WeakPolarHBondContact O-CG2 3.43Å; Q248-V252 PolarHBondContact O-N 2.82Å |
| 249 | R | 96.2 | Very high | 96.1 | Very high | 158 Ų | 158 | 92.6 Ų | 92.6 | 60% | 0.596 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -61.1 | -44.8 | 176 | -74.1 | 175.5 | -172.7 | 179.4 | 6.9 | 111.6 | Q245 L246 Q247 E251 V252 T253 | Q245-R249 WeakPolarHBondContact O-CB 3.3Å; Q245-R249 VanDerWaalsContact O-CG 3.27Å; Q245-R249 WeakPolarHBondContact O-CG 3.46Å; Q245-R249 PolarHBondContact O-N 2.87Å; L246-R249 PolarHBondContact O-N 3.43Å; Q247-R249 VanDerWaalsContact C-N 3.35Å; Q247-R249 PolarHBondContact O-N 2.74Å; R249-E251 VanDerWaalsContact C-N 3.31Å; R249-E251 PolarHBondContact O-N 2.84Å; R249-V252 PolarHBondContact O-N 2.89Å; R249-T253 PolarHBondContact O-N 3.22Å; R249-T253 PolarHBondContact O-OG1 2.84Å; R249-T253 VanDerWaalsContact O-OG1 3.05Å |
| 250 | S | 95.8 | Very high | 96.1 | Very high | 74 Ų | 74 | 94.1 Ų | 94.1 | 52% | 0.517 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.2 | -36.7 | 178.1 | 72.2 | 0 | 0 | 0 | 0 | 112.5 | L246 Q247 Q248 T253 R254 | L246-S250 WeakPolarHBondContact O-CB 3.42Å; L246-S250 PolarHBondContact O-N 3.47Å; L246-S250 PolarHBondContact O-OG 2.81Å; Q247-S250 WeakPolarHBondContact CA-OG 3.26Å; Q247-S250 PolarHBondContact O-N 2.84Å; Q247-S250 PolarHBondContact O-OG 3.35Å; Q248-S250 PolarHBondContact O-N 3.45Å; S250-T253 PolarHBondContact O-N 3.36Å; S250-R254 VanDerWaalsContact O-CB 3.32Å; S250-R254 WeakPolarHBondContact O-CB 3.35Å; S250-R254 PolarHBondContact O-N 3.29Å |
| 251 | E | 96.6 | Very high | 96 | Very high | 81 Ų | 81 | 95 Ų | 95 | 38% | 0.379 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -71.6 | -40.8 | 176.7 | -179.1 | 61.7 | -171.4 | 0 | 0 | 111.2 | Q247 Q248 R249 R254 L255 | Q247-E251 WeakPolarHBondContact O-CB 3.44Å; Q247-E251 PolarHBondContact O-N 3.3Å; Q248-E251 PolarHBondContact O-N 3.36Å; R249-E251 VanDerWaalsContact C-N 3.31Å; R249-E251 PolarHBondContact O-N 2.84Å; E251-R254 PolarHBondContact O-N 2.83Å; E251-R254 IonicContact OE1-CZ 3.74Å; E251-R254 IonicContact OE1-NE 3.14Å; E251-R254 PolarHBondContact OE1-NE 2.84Å; E251-R254 IonicContact OE1-NH2 2.62Å; E251-R254 PolarHBondContact OE1-NH2 2.79Å; E251-R254 IonicContact OE2-CZ 2.8Å; E251-R254 IonicContact OE2-NE 3.05Å; E251-R254 PolarHBondContact OE2-NE 3.24Å; E251-R254 IonicContact OE2-NH2 2.72Å; E251-L255 HydrophobicContact CG-CD1 4.09Å; E251-L255 HydrophobicContact CG-CG 4.48Å; E251-L255 WeakPolarHBondContact O-CB 3.32Å; E251-L255 VanDerWaalsContact O-CG 3.27Å; E251-L255 WeakPolarHBondContact O-CG 3.24Å; E251-L255 PolarHBondContact O-N 2.78Å |
| 252 | V | 96.2 | Very high | 96 | Very high | 73 Ų | 73 | 95.5 Ų | 95.5 | 44% | 0.442 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -58.9 | -50.1 | 171.8 | 168.7 | 0 | 0 | 0 | 0 | 109.8 | Q248 R249 R254 L255 E256 | Q248-V252 WeakPolarHBondContact O-CB 3.27Å; Q248-V252 VanDerWaalsContact O-CG2 3.26Å; Q248-V252 WeakPolarHBondContact O-CG2 3.43Å; Q248-V252 PolarHBondContact O-N 2.82Å; R249-V252 PolarHBondContact O-N 2.89Å; V252-R254 VanDerWaalsContact C-N 3.33Å; V252-R254 PolarHBondContact O-N 3.4Å; V252-L255 PolarHBondContact O-N 2.83Å; V252-E256 HydrophobicContact CG1-CG 4.23Å; V252-E256 WeakPolarHBondContact CG1-OE1 3.5Å; V252-E256 WeakPolarHBondContact O-CB 3.37Å; V252-E256 VanDerWaalsContact O-CG 3.24Å; V252-E256 WeakPolarHBondContact O-CG 3.24Å; V252-E256 PolarHBondContact O-N 3.36Å |
| 253 | T | 96 | Very high | 96 | Very high | 78 Ų | 78 | 93.5 Ų | 93.5 | 48% | 0.479 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.2 | -40.9 | 176.6 | -58.4 | 0 | 0 | 0 | 0 | 111.9 | R249 S250 E256 T257 | R249-T253 PolarHBondContact O-N 3.22Å; R249-T253 PolarHBondContact O-OG1 2.84Å; R249-T253 VanDerWaalsContact O-OG1 3.05Å; S250-T253 PolarHBondContact O-N 3.36Å; T253-E256 PolarHBondContact O-N 2.74Å; T253-T257 WeakPolarHBondContact O-CG2 3.27Å; T253-T257 PolarHBondContact O-N 3.31Å; T253-T257 PolarHBondContact O-OG1 3.31Å |
| 254 | R | 97.2 | Very high | 95.9 | Very high | 112 Ų | 112 | 92.2 Ų | 92.2 | 42% | 0.423 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.8 | -49.9 | 175.3 | -171.7 | -168.4 | 72.6 | 72.1 | 1.3 | 110.8 | S250 E251 V252 T257 E258 | S250-R254 VanDerWaalsContact O-CB 3.32Å; S250-R254 WeakPolarHBondContact O-CB 3.35Å; S250-R254 PolarHBondContact O-N 3.29Å; E251-R254 PolarHBondContact O-N 2.83Å; E251-R254 IonicContact OE1-CZ 3.74Å; E251-R254 IonicContact OE1-NE 3.14Å; E251-R254 PolarHBondContact OE1-NE 2.84Å; E251-R254 IonicContact OE1-NH2 2.62Å; E251-R254 PolarHBondContact OE1-NH2 2.79Å; E251-R254 IonicContact OE2-CZ 2.8Å; E251-R254 IonicContact OE2-NE 3.05Å; E251-R254 PolarHBondContact OE2-NE 3.24Å; E251-R254 IonicContact OE2-NH2 2.72Å; V252-R254 VanDerWaalsContact C-N 3.33Å; V252-R254 PolarHBondContact O-N 3.4Å; R254-T257 PolarHBondContact O-N 3.44Å; R254-T257 PolarHBondContact O-OG1 3.5Å; R254-E258 IonicContact CZ-OE2 2.89Å; R254-E258 IonicContact NH1-OE2 3.49Å; R254-E258 PolarHBondContact NH1-OE2 2.86Å; R254-E258 IonicContact NH2-OE2 3.04Å; R254-E258 WeakPolarHBondContact O-CB 3.44Å; R254-E258 PolarHBondContact O-N 3.05Å |
| 255 | L | 96.1 | Very high | 95.8 | Very high | 76 Ų | 76 | 94.3 Ų | 94.3 | 40% | 0.398 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.4 | -39.5 | 178.6 | -72.2 | 171.8 | 0 | 0 | 0 | 111.9 | E251 V252 E258 V259 | E251-L255 HydrophobicContact CG-CD1 4.09Å; E251-L255 HydrophobicContact CG-CG 4.48Å; E251-L255 WeakPolarHBondContact O-CB 3.32Å; E251-L255 VanDerWaalsContact O-CG 3.27Å; E251-L255 WeakPolarHBondContact O-CG 3.24Å; E251-L255 PolarHBondContact O-N 2.78Å; V252-L255 PolarHBondContact O-N 2.83Å; L255-E258 PolarHBondContact O-N 3.22Å; L255-V259 WeakPolarHBondContact O-CB 3.23Å; L255-V259 VanDerWaalsContact O-CG2 3.24Å; L255-V259 WeakPolarHBondContact O-CG2 3.3Å; L255-V259 PolarHBondContact O-N 2.85Å |
| 256 | E | 96.7 | Very high | 95.7 | Very high | 106 Ų | 106 | 99.3 Ų | 99.3 | 50% | 0.495 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.1 | -49.3 | 173.6 | -76.2 | 170.9 | 162.7 | 0 | 0 | 110.4 | V252 T253 E258 V259 E260 | V252-E256 HydrophobicContact CG1-CG 4.23Å; V252-E256 WeakPolarHBondContact CG1-OE1 3.5Å; V252-E256 WeakPolarHBondContact O-CB 3.37Å; V252-E256 VanDerWaalsContact O-CG 3.24Å; V252-E256 WeakPolarHBondContact O-CG 3.24Å; V252-E256 PolarHBondContact O-N 3.36Å; T253-E256 PolarHBondContact O-N 2.74Å; E256-E258 VanDerWaalsContact C-N 3.34Å; E256-E258 PolarHBondContact O-N 2.9Å; E256-V259 PolarHBondContact O-N 2.93Å; E256-E260 WeakPolarHBondContact O-CB 3.33Å; E256-E260 VanDerWaalsContact O-CG 3.3Å; E256-E260 WeakPolarHBondContact O-CG 3.13Å; E256-E260 PolarHBondContact O-N 2.82Å |
| 257 | T | 94.7 | Very high | 95.7 | Very high | 75 Ų | 75 | 100.1 Ų | 100.1 | 46% | 0.46 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.4 | -36.1 | 176.9 | 59.5 | 0 | 0 | 0 | 0 | 113 | T253 R254 H261 | T253-T257 WeakPolarHBondContact O-CG2 3.27Å; T253-T257 PolarHBondContact O-N 3.31Å; T253-T257 PolarHBondContact O-OG1 3.31Å; R254-T257 PolarHBondContact O-N 3.44Å; R254-T257 PolarHBondContact O-OG1 3.5Å; T257-H261 VanDerWaalsContact O-CB 3.3Å; T257-H261 WeakPolarHBondContact O-CB 3.36Å; T257-H261 PolarHBondContact O-N 3.41Å |
| 258 | E | 95 | Very high | 95.6 | Very high | 88 Ų | 88 | 97.1 Ų | 97.1 | 41% | 0.411 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.1 | -44.1 | 175.5 | -175.2 | 175.8 | 173.8 | 0 | 0 | 110.9 | R254 L255 E256 H261 L262 | R254-E258 IonicContact CZ-OE2 2.89Å; R254-E258 IonicContact NH1-OE2 3.49Å; R254-E258 PolarHBondContact NH1-OE2 2.86Å; R254-E258 IonicContact NH2-OE2 3.04Å; R254-E258 WeakPolarHBondContact O-CB 3.44Å; R254-E258 PolarHBondContact O-N 3.05Å; L255-E258 PolarHBondContact O-N 3.22Å; E256-E258 VanDerWaalsContact C-N 3.34Å; E256-E258 PolarHBondContact O-N 2.9Å; E258-H261 PolarHBondContact O-N 2.92Å; E258-L262 HydrophobicContact CG-CD1 4.18Å; E258-L262 WeakPolarHBondContact O-CB 3.37Å; E258-L262 VanDerWaalsContact O-CG 3.23Å; E258-L262 WeakPolarHBondContact O-CG 3.3Å; E258-L262 PolarHBondContact O-N 3.39Å |
| 259 | V | 96.5 | Very high | 95.5 | Very high | 78 Ų | 78 | 94.4 Ų | 94.4 | 47% | 0.473 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64 | -45.1 | 175.7 | 168 | 0 | 0 | 0 | 0 | 110.9 | L255 E256 H261 L262 I263 | L255-V259 WeakPolarHBondContact O-CB 3.23Å; L255-V259 VanDerWaalsContact O-CG2 3.24Å; L255-V259 WeakPolarHBondContact O-CG2 3.3Å; L255-V259 PolarHBondContact O-N 2.85Å; E256-V259 PolarHBondContact O-N 2.93Å; V259-H261 VanDerWaalsContact C-N 3.33Å; V259-H261 PolarHBondContact O-N 3.44Å; V259-L262 PolarHBondContact O-N 3.38Å; V259-I263 HydrophobicContact CG1-CD1 3.62Å; V259-I263 HydrophobicContact CG1-CG1 4.3Å; V259-I263 WeakPolarHBondContact O-CB 3.43Å; V259-I263 WeakPolarHBondContact O-CG1 3.38Å; V259-I263 PolarHBondContact O-N 3.46Å |
| 260 | E | 96 | Very high | 95.4 | Very high | 129 Ų | 129 | 91.4 Ų | 91.4 | 60% | 0.603 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -59.7 | -43.9 | 175.5 | -75.7 | 176.2 | 176.3 | 0 | 0 | 111.5 | E256 I263 A264 | E256-E260 WeakPolarHBondContact O-CB 3.33Å; E256-E260 VanDerWaalsContact O-CG 3.3Å; E256-E260 WeakPolarHBondContact O-CG 3.13Å; E256-E260 PolarHBondContact O-N 2.82Å; E260-I263 PolarHBondContact O-N 2.83Å; E260-A264 WeakPolarHBondContact O-CB 3.45Å; E260-A264 PolarHBondContact O-N 3.11Å |
| 261 | H | 95.1 | Very high | 95.4 | Very high | 111 Ų | 111 | 94 Ų | 94 | 51% | 0.514 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.6 | -46.3 | 176.2 | -171.7 | -82.9 | 0 | 0 | 0 | 111.7 | T257 E258 V259 I263 A264 E265 | T257-H261 VanDerWaalsContact O-CB 3.3Å; T257-H261 WeakPolarHBondContact O-CB 3.36Å; T257-H261 PolarHBondContact O-N 3.41Å; E258-H261 PolarHBondContact O-N 2.92Å; V259-H261 VanDerWaalsContact C-N 3.33Å; V259-H261 PolarHBondContact O-N 3.44Å; H261-I263 VanDerWaalsContact C-N 3.31Å; H261-I263 PolarHBondContact O-N 3.27Å; H261-A264 PolarHBondContact O-N 2.89Å; H261-E265 IonicContact CE1-OE1 3.46Å; H261-E265 PolarHBondContact CE1-OE1 3.19Å; H261-E265 IonicContact CE1-OE2 2.82Å; H261-E265 IonicContact ND1-OE1 3.7Å; H261-E265 IonicContact ND1-OE2 3.17Å; H261-E265 WeakPolarHBondContact O-CB 3.45Å; H261-E265 WeakPolarHBondContact O-CG 3.17Å; H261-E265 PolarHBondContact O-N 3.4Å |
| 262 | L | 95.1 | Very high | 95.2 | Very high | 91 Ų | 91 | 97.4 Ų | 97.4 | 48% | 0.476 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.4 | -37.4 | 177.3 | -73.5 | 172.2 | 0 | 0 | 0 | 112.1 | E258 V259 R266 | E258-L262 HydrophobicContact CG-CD1 4.18Å; E258-L262 WeakPolarHBondContact O-CB 3.37Å; E258-L262 VanDerWaalsContact O-CG 3.23Å; E258-L262 WeakPolarHBondContact O-CG 3.3Å; E258-L262 PolarHBondContact O-N 3.39Å; V259-L262 PolarHBondContact O-N 3.38Å; L262-R266 WeakPolarHBondContact O-CB 3.19Å; L262-R266 PolarHBondContact O-N 3.31Å |
| 263 | I | 95.9 | Very high | 95.1 | Very high | 81 Ų | 81 | 100.2 Ų | 100.2 | 42% | 0.415 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.3 | -50.2 | 173.5 | -72.2 | 167.7 | 0 | 0 | 0 | 109.3 | V259 E260 H261 E265 R266 E267 | V259-I263 HydrophobicContact CG1-CD1 3.62Å; V259-I263 HydrophobicContact CG1-CG1 4.3Å; V259-I263 WeakPolarHBondContact O-CB 3.43Å; V259-I263 WeakPolarHBondContact O-CG1 3.38Å; V259-I263 PolarHBondContact O-N 3.46Å; E260-I263 PolarHBondContact O-N 2.83Å; H261-I263 VanDerWaalsContact C-N 3.31Å; H261-I263 PolarHBondContact O-N 3.27Å; I263-E265 PolarHBondContact O-N 3.43Å; I263-R266 PolarHBondContact O-N 3.36Å; I263-E267 HydrophobicContact CG2-CG 4.16Å; I263-E267 WeakPolarHBondContact CG2-OE1 3.44Å; I263-E267 VanDerWaalsContact O-CB 3.31Å; I263-E267 WeakPolarHBondContact O-CB 3.45Å; I263-E267 VanDerWaalsContact O-CG 3.26Å; I263-E267 WeakPolarHBondContact O-CG 3.26Å; I263-E267 PolarHBondContact O-N 3.45Å |
| 264 | A | 94.9 | Very high | 95.1 | Very high | 52 Ų | 52 | 104 Ų | 104 | 43% | 0.43 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.9 | -44.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E260 H261 E267 E268 | E260-A264 WeakPolarHBondContact O-CB 3.45Å; E260-A264 PolarHBondContact O-N 3.11Å; H261-A264 PolarHBondContact O-N 2.89Å; A264-E267 PolarHBondContact O-N 2.82Å; A264-E268 VanDerWaalsContact O-CB 3.22Å; A264-E268 WeakPolarHBondContact O-CB 3.47Å; A264-E268 PolarHBondContact O-N 3.5Å |
| 265 | E | 93.5 | Very high | 94.8 | Very high | 102 Ų | 102 | 102.2 Ų | 102.2 | 48% | 0.477 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.6 | -45.7 | 174.1 | -78.1 | -170.3 | 145.9 | 0 | 0 | 111.6 | H261 I263 E268 V269 | H261-E265 IonicContact CE1-OE1 3.46Å; H261-E265 PolarHBondContact CE1-OE1 3.19Å; H261-E265 IonicContact CE1-OE2 2.82Å; H261-E265 IonicContact ND1-OE1 3.7Å; H261-E265 IonicContact ND1-OE2 3.17Å; H261-E265 WeakPolarHBondContact O-CB 3.45Å; H261-E265 WeakPolarHBondContact O-CG 3.17Å; H261-E265 PolarHBondContact O-N 3.4Å; I263-E265 PolarHBondContact O-N 3.43Å; E265-E268 PolarHBondContact O-N 3.44Å; E265-V269 WeakPolarHBondContact O-CB 3.34Å; E265-V269 VanDerWaalsContact O-CG2 3.26Å; E265-V269 WeakPolarHBondContact O-CG2 3.34Å; E265-V269 PolarHBondContact O-N 2.77Å |
| 266 | R | 94.4 | Very high | 94.6 | Very high | 184 Ų | 184 | 104.6 Ų | 104.6 | 69% | 0.694 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.3 | -42.9 | 179.7 | -172.7 | 172 | -175.9 | -170.5 | 0.5 | 111.5 | L262 I263 E268 V269 I270 | L262-R266 WeakPolarHBondContact O-CB 3.19Å; L262-R266 PolarHBondContact O-N 3.31Å; I263-R266 PolarHBondContact O-N 3.36Å; R266-E268 VanDerWaalsContact C-N 3.35Å; R266-V269 PolarHBondContact O-N 2.9Å; R266-I270 HydrophobicContact CG-CD1 3.92Å; R266-I270 WeakPolarHBondContact O-CB 3.37Å; R266-I270 WeakPolarHBondContact O-CD1 3.26Å; R266-I270 WeakPolarHBondContact O-CG1 3.22Å; R266-I270 PolarHBondContact O-N 2.94Å |
| 267 | E | 96.5 | Very high | 94.4 | Very high | 111 Ų | 111 | 104.9 Ų | 104.9 | 52% | 0.519 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.7 | -41.1 | 176.1 | -75.7 | -179.7 | 172.4 | 0 | 0 | 111.5 | I263 A264 I270 R271 | I263-E267 HydrophobicContact CG2-CG 4.16Å; I263-E267 WeakPolarHBondContact CG2-OE1 3.44Å; I263-E267 VanDerWaalsContact O-CB 3.31Å; I263-E267 WeakPolarHBondContact O-CB 3.45Å; I263-E267 VanDerWaalsContact O-CG 3.26Å; I263-E267 WeakPolarHBondContact O-CG 3.26Å; I263-E267 PolarHBondContact O-N 3.45Å; A264-E267 PolarHBondContact O-N 2.82Å; E267-I270 PolarHBondContact O-N 3.27Å; E267-R271 VanDerWaalsContact O-CB 3.28Å; E267-R271 WeakPolarHBondContact O-CB 3.19Å; E267-R271 PolarHBondContact O-N 2.8Å |
| 268 | E | 94.2 | Very high | 94.4 | Very high | 50 Ų | 50 | 105.5 Ų | 105.5 | 23% | 0.234 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -63.9 | -45.6 | 175.9 | -172.9 | 64.4 | -146.5 | 0 | 0 | 111.9 | A264 E265 R266 I270 R271 R272 | A264-E268 VanDerWaalsContact O-CB 3.22Å; A264-E268 WeakPolarHBondContact O-CB 3.47Å; A264-E268 PolarHBondContact O-N 3.5Å; E265-E268 PolarHBondContact O-N 3.44Å; R266-E268 VanDerWaalsContact C-N 3.35Å; E268-I270 VanDerWaalsContact C-N 3.34Å; E268-I270 PolarHBondContact O-N 2.62Å; E268-R271 PolarHBondContact O-N 2.86Å; E268-R271 IonicContact OE1-NH1 3.65Å; E268-R271 PolarHBondContact OE1-NH1 3.25Å; E268-R271 VanDerWaalsContact OE1-NH1 3.17Å; E268-R271 IonicContact OE2-CZ 2.93Å; E268-R271 IonicContact OE2-NH1 3.59Å; E268-R271 PolarHBondContact OE2-NH1 2.86Å; E268-R271 IonicContact OE2-NH2 2.68Å; E268-R271 PolarHBondContact OE2-NH2 3.11Å; E268-R272 WeakPolarHBondContact O-CG 3.31Å; E268-R272 PolarHBondContact O-N 3.26Å; E268-R272 IonicContact OE1-CZ 3.47Å; E268-R272 IonicContact OE1-NE 2.7Å; E268-R272 PolarHBondContact OE1-NE 3.1Å; E268-R272 IonicContact OE1-NH2 3.65Å; E268-R272 PolarHBondContact OE1-NH2 2.97Å |
| 269 | V | 93.7 | Very high | 94.3 | Very high | 73 Ų | 73 | 107.4 Ų | 107.4 | 44% | 0.442 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 176.2 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | E265 R266 K273 | E265-V269 WeakPolarHBondContact O-CB 3.34Å; E265-V269 VanDerWaalsContact O-CG2 3.26Å; E265-V269 WeakPolarHBondContact O-CG2 3.34Å; E265-V269 PolarHBondContact O-N 2.77Å; R266-V269 PolarHBondContact O-N 2.9Å; V269-K273 HydrophobicContact CG1-CD 4.19Å; V269-K273 WeakPolarHBondContact O-CB 3.41Å; V269-K273 WeakPolarHBondContact O-CG 3.41Å; V269-K273 PolarHBondContact O-N 3.32Å; V269-K273 VanDerWaalsContact O-N 3.11Å |
| 270 | I | 94.5 | Very high | 94.1 | Very high | 95 Ų | 95 | 109.2 Ų | 109.2 | 49% | 0.487 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.5 | -46.1 | 175.5 | -73.4 | 166.6 | 0 | 0 | 0 | 110.1 | R266 E267 E268 K274 | R266-I270 HydrophobicContact CG-CD1 3.92Å; R266-I270 WeakPolarHBondContact O-CB 3.37Å; R266-I270 WeakPolarHBondContact O-CD1 3.26Å; R266-I270 WeakPolarHBondContact O-CG1 3.22Å; R266-I270 PolarHBondContact O-N 2.94Å; E267-I270 PolarHBondContact O-N 3.27Å; E268-I270 VanDerWaalsContact C-N 3.34Å; E268-I270 PolarHBondContact O-N 2.62Å; I270-K274 VanDerWaalsContact O-CB 3.27Å; I270-K274 WeakPolarHBondContact O-CB 3.38Å; I270-K274 PolarHBondContact O-N 2.82Å; I270-K274 VanDerWaalsContact O-N 3.12Å |
| 271 | R | 94.8 | Very high | 93.9 | Very high | 128 Ų | 128 | 110.8 Ų | 110.8 | 48% | 0.483 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64 | -50 | -177 | -155.7 | -178.2 | -27.7 | 101.4 | 6 | 111.4 | E267 E268 K274 T275 | E267-R271 VanDerWaalsContact O-CB 3.28Å; E267-R271 WeakPolarHBondContact O-CB 3.19Å; E267-R271 PolarHBondContact O-N 2.8Å; E268-R271 PolarHBondContact O-N 2.86Å; E268-R271 IonicContact OE1-NH1 3.65Å; E268-R271 PolarHBondContact OE1-NH1 3.25Å; E268-R271 VanDerWaalsContact OE1-NH1 3.17Å; E268-R271 IonicContact OE2-CZ 2.93Å; E268-R271 IonicContact OE2-NH1 3.59Å; E268-R271 PolarHBondContact OE2-NH1 2.86Å; E268-R271 IonicContact OE2-NH2 2.68Å; E268-R271 PolarHBondContact OE2-NH2 3.11Å; R271-K274 PolarHBondContact O-N 3.17Å; R271-T275 PolarHBondContact O-N 3.12Å; R271-T275 PolarHBondContact O-OG1 3.19Å; R271-T275 VanDerWaalsContact O-OG1 3.09Å |
| 272 | R | 91.8 | Very high | 93.8 | Very high | 152 Ų | 152 | 111.1 Ų | 111.1 | 57% | 0.574 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.6 | -45.5 | -179.9 | -70.2 | 179.4 | -169.6 | 151.8 | 3.5 | 112.8 | E268 K274 T275 E276 | E268-R272 WeakPolarHBondContact O-CG 3.31Å; E268-R272 PolarHBondContact O-N 3.26Å; E268-R272 IonicContact OE1-CZ 3.47Å; E268-R272 IonicContact OE1-NE 2.7Å; E268-R272 PolarHBondContact OE1-NE 3.1Å; E268-R272 IonicContact OE1-NH2 3.65Å; E268-R272 PolarHBondContact OE1-NH2 2.97Å; R272-K274 PolarHBondContact O-N 3.09Å; R272-T275 PolarHBondContact O-OG1 3.05Å; R272-E276 WeakPolarHBondContact O-CB 3.39Å; R272-E276 PolarHBondContact O-N 2.83Å; R272-E276 VanDerWaalsContact O-N 3.1Å |
| 273 | K | 94.2 | Very high | 93.7 | Very high | 132 Ų | 132 | 111.6 Ų | 111.6 | 57% | 0.574 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.4 | -30.9 | 178 | -75.6 | -173.5 | 174.8 | -176.3 | 0 | 112.4 | V269 I277 | V269-K273 HydrophobicContact CG1-CD 4.19Å; V269-K273 WeakPolarHBondContact O-CB 3.41Å; V269-K273 WeakPolarHBondContact O-CG 3.41Å; V269-K273 PolarHBondContact O-N 3.32Å; V269-K273 VanDerWaalsContact O-N 3.11Å; K273-I277 WeakPolarHBondContact O-CB 3.27Å; K273-I277 WeakPolarHBondContact O-CD1 3.36Å; K273-I277 WeakPolarHBondContact O-CG1 3.28Å; K273-I277 PolarHBondContact O-N 2.72Å |
| 274 | K | 95.6 | Very high | 93.6 | Very high | 158 Ų | 158 | 113.9 Ų | 113.9 | 69% | 0.687 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -81.9 | -38.5 | -175.6 | -153.1 | 176.6 | -174.6 | -174.5 | 0 | 112.4 | I270 R271 R272 E278 | I270-K274 VanDerWaalsContact O-CB 3.27Å; I270-K274 WeakPolarHBondContact O-CB 3.38Å; I270-K274 PolarHBondContact O-N 2.82Å; I270-K274 VanDerWaalsContact O-N 3.12Å; R271-K274 PolarHBondContact O-N 3.17Å; R272-K274 PolarHBondContact O-N 3.09Å; K274-E278 PolarHBondContact O-N 3.18Å |
| 275 | T | 91.9 | Very high | 93.5 | Very high | 74 Ų | 74 | 114.7 Ų | 114.7 | 45% | 0.454 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 171 | 48.1 | 0 | 0 | 0 | 0 | 111.7 | R271 R272 E279 | R271-T275 PolarHBondContact O-N 3.12Å; R271-T275 PolarHBondContact O-OG1 3.19Å; R271-T275 VanDerWaalsContact O-OG1 3.09Å; R272-T275 PolarHBondContact O-OG1 3.05Å; T275-E279 PolarHBondContact O-N 3.44Å |
| 276 | E | 91.9 | Very high | 93.5 | Very high | 126 Ų | 126 | 112.6 Ų | 112.6 | 59% | 0.589 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -71 | -38.8 | -175.6 | -171.8 | 178.5 | -175.3 | 0 | 0 | 113.4 | R272 L280 | R272-E276 WeakPolarHBondContact O-CB 3.39Å; R272-E276 PolarHBondContact O-N 2.83Å; R272-E276 VanDerWaalsContact O-N 3.1Å; E276-L280 HydrophobicContact CG-CD1 4.06Å; E276-L280 WeakPolarHBondContact O-CB 3.44Å; E276-L280 WeakPolarHBondContact O-CG 2.95Å |
| 277 | I | 92.8 | Very high | 93.3 | Very high | 112 Ų | 112 | 110.4 Ų | 110.4 | 57% | 0.574 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -72.3 | -37.7 | -177.1 | -71.2 | 171.3 | 0 | 0 | 0 | 112.2 | K273 R281 | K273-I277 WeakPolarHBondContact O-CB 3.27Å; K273-I277 WeakPolarHBondContact O-CD1 3.36Å; K273-I277 WeakPolarHBondContact O-CG1 3.28Å; K273-I277 PolarHBondContact O-N 2.72Å; I277-R281 VanDerWaalsContact O-CB 3.23Å; I277-R281 WeakPolarHBondContact O-CB 3.39Å; I277-R281 PolarHBondContact O-N 2.79Å |
| 278 | E | 94.2 | Very high | 93.2 | Very high | 88 Ų | 88 | 110 Ų | 110 | 41% | 0.411 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -77.8 | -40.6 | -173.3 | -168.7 | 57.3 | -148.3 | 0 | 0 | 111.9 | K274 R281 Q282 | K274-E278 PolarHBondContact O-N 3.18Å; E278-R281 PolarHBondContact O-N 3.1Å; E278-Q282 WeakPolarHBondContact O-CG 3.23Å; E278-Q282 PolarHBondContact O-N 3.33Å; E278-Q282 VanDerWaalsContact O-N 3.1Å; E278-Q282 PolarHBondContact OE1-NE2 3.32Å |
| 279 | E | 93.4 | Very high | 93.1 | Very high | 129 Ų | 129 | 115.5 Ų | 115.5 | 60% | 0.603 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -73.8 | -44.2 | -174.8 | -68.3 | 178.8 | 175.2 | 0 | 0 | 111.6 | T275 R281 Q282 D283 | T275-E279 PolarHBondContact O-N 3.44Å; E279-R281 PolarHBondContact O-N 3.46Å; E279-Q282 PolarHBondContact O-N 3.47Å; E279-Q282 VanDerWaalsContact O-N 3.1Å; E279-D283 PolarHBondContact O-N 3.47Å |
| 280 | L | 92.4 | Very high | 93.2 | Very high | 116 Ų | 116 | 116.4 Ų | 116.4 | 61% | 0.607 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -59.7 | -31.3 | 174.1 | -71.6 | 177.2 | 0 | 0 | 0 | 112.4 | E276 K284 | E276-L280 HydrophobicContact CG-CD1 4.06Å; E276-L280 WeakPolarHBondContact O-CB 3.44Å; E276-L280 WeakPolarHBondContact O-CG 2.95Å; L280-K284 VanDerWaalsContact O-CB 3.31Å; L280-K284 WeakPolarHBondContact O-CB 3.31Å; L280-K284 PolarHBondContact O-N 3.39Å |
| 281 | R | 92.1 | Very high | 93.1 | Very high | 161 Ų | 161 | 117 Ų | 117 | 61% | 0.608 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -72.9 | -38.8 | 178.5 | -172.1 | 178.9 | -177.9 | -178.9 | 0.7 | 111.6 | I277 E278 E279 I285 | I277-R281 VanDerWaalsContact O-CB 3.23Å; I277-R281 WeakPolarHBondContact O-CB 3.39Å; I277-R281 PolarHBondContact O-N 2.79Å; E278-R281 PolarHBondContact O-N 3.1Å; E279-R281 PolarHBondContact O-N 3.46Å; R281-I285 HydrophobicContact CG-CD1 4.23Å; R281-I285 WeakPolarHBondContact O-CD1 3.28Å; R281-I285 VanDerWaalsContact O-CG1 3.28Å; R281-I285 WeakPolarHBondContact O-CG1 3.48Å |
| 282 | Q | 92.6 | Very high | 93.1 | Very high | 119 Ų | 119 | 117 Ų | 117 | 56% | 0.556 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -77.3 | -44 | -177.8 | -69.3 | -167.1 | 12.1 | 0 | 0 | 112.3 | E278 E279 K284 I285 A286 | E278-Q282 WeakPolarHBondContact O-CG 3.23Å; E278-Q282 PolarHBondContact O-N 3.33Å; E278-Q282 VanDerWaalsContact O-N 3.1Å; E278-Q282 PolarHBondContact OE1-NE2 3.32Å; E279-Q282 PolarHBondContact O-N 3.47Å; E279-Q282 VanDerWaalsContact O-N 3.1Å; Q282-K284 VanDerWaalsContact C-N 3.33Å; Q282-K284 PolarHBondContact O-N 2.99Å; Q282-I285 PolarHBondContact O-N 3.05Å; Q282-A286 WeakPolarHBondContact O-CB 3.4Å; Q282-A286 PolarHBondContact O-N 3.4Å |
| 283 | D | 93.3 | Very high | 93.2 | Very high | 100 Ų | 100 | 116 Ų | 116 | 54% | 0.535 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.8 | -40.8 | -178.4 | -78.4 | -10.2 | 0 | 0 | 0 | 112 | E279 I285 A286 Q287 | E279-D283 PolarHBondContact O-N 3.47Å; D283-I285 PolarHBondContact O-N 3.32Å; D283-A286 PolarHBondContact O-N 3.15Å; D283-Q287 WeakPolarHBondContact O-CB 3.37Å; D283-Q287 WeakPolarHBondContact O-CG 3.47Å; D283-Q287 PolarHBondContact O-N 3.44Å |
| 284 | K | 93.1 | Very high | 93.2 | Very high | 129 Ų | 129 | 116.2 Ų | 116.2 | 56% | 0.561 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.2 | -43.9 | 179.4 | -174.2 | 174.3 | 178.5 | 178.8 | 0 | 111.9 | L280 Q282 E288 | L280-K284 VanDerWaalsContact O-CB 3.31Å; L280-K284 WeakPolarHBondContact O-CB 3.31Å; L280-K284 PolarHBondContact O-N 3.39Å; Q282-K284 VanDerWaalsContact C-N 3.33Å; Q282-K284 PolarHBondContact O-N 2.99Å; K284-E288 WeakPolarHBondContact CE-OE1 3.41Å; K284-E288 WeakPolarHBondContact O-CB 3.28Å; K284-E288 VanDerWaalsContact O-CG 3.28Å; K284-E288 WeakPolarHBondContact O-CG 3.33Å; K284-E288 PolarHBondContact O-N 3.1Å; K284-E288 VanDerWaalsContact O-N 3.15Å |
| 285 | I | 92.2 | Very high | 93.1 | Very high | 69 Ų | 69 | 113 Ų | 113 | 35% | 0.354 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -69.4 | -38.4 | -178.5 | -66.3 | 171.1 | 0 | 0 | 0 | 110.9 | R281 Q282 D283 R289 | R281-I285 HydrophobicContact CG-CD1 4.23Å; R281-I285 WeakPolarHBondContact O-CD1 3.28Å; R281-I285 VanDerWaalsContact O-CG1 3.28Å; R281-I285 WeakPolarHBondContact O-CG1 3.48Å; Q282-I285 PolarHBondContact O-N 3.05Å; D283-I285 PolarHBondContact O-N 3.32Å; I285-R289 WeakPolarHBondContact O-CG 3.36Å; I285-R289 PolarHBondContact O-N 3.03Å |
| 286 | A | 92.9 | Very high | 93.2 | Very high | 59 Ų | 59 | 113.4 Ų | 113.4 | 49% | 0.488 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -69.2 | -43.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q282 D283 L290 | Q282-A286 WeakPolarHBondContact O-CB 3.4Å; Q282-A286 PolarHBondContact O-N 3.4Å; D283-A286 PolarHBondContact O-N 3.15Å; A286-L290 WeakPolarHBondContact O-CB 3.48Å; A286-L290 PolarHBondContact O-N 3.32Å; A286-L290 VanDerWaalsContact O-N 3.13Å |
| 287 | Q | 91.8 | Very high | 93.3 | Very high | 137 Ų | 137 | 115.4 Ų | 115.4 | 64% | 0.64 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -69.1 | -40.9 | -179.2 | -69.9 | -179.3 | 3.9 | 0 | 0 | 112.1 | D283 R289 L290 L291 | D283-Q287 WeakPolarHBondContact O-CB 3.37Å; D283-Q287 WeakPolarHBondContact O-CG 3.47Å; D283-Q287 PolarHBondContact O-N 3.44Å; Q287-R289 VanDerWaalsContact C-N 3.32Å; Q287-R289 PolarHBondContact O-N 3.1Å; Q287-L290 PolarHBondContact O-N 3.03Å; Q287-L291 WeakPolarHBondContact O-CB 3.37Å; Q287-L291 PolarHBondContact O-N 3.39Å |
| 288 | E | 93.4 | Very high | 93.4 | Very high | 103 Ų | 103 | 114.2 Ų | 114.2 | 48% | 0.481 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.1 | -39.2 | 178.8 | -76.7 | 175.9 | 178.1 | 0 | 0 | 112.1 | K284 Q292 | K284-E288 WeakPolarHBondContact CE-OE1 3.41Å; K284-E288 WeakPolarHBondContact O-CB 3.28Å; K284-E288 VanDerWaalsContact O-CG 3.28Å; K284-E288 WeakPolarHBondContact O-CG 3.33Å; K284-E288 PolarHBondContact O-N 3.1Å; K284-E288 VanDerWaalsContact O-N 3.15Å; E288-Q292 WeakPolarHBondContact O-CG 3.48Å; E288-Q292 PolarHBondContact O-N 3.13Å |
| 289 | R | 93.3 | Very high | 93.3 | Very high | 166 Ų | 166 | 116.3 Ų | 116.3 | 63% | 0.626 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -70.6 | -45.2 | 178.2 | -72.9 | -179.8 | -176.3 | 167.2 | 2.8 | 112.3 | I285 Q287 L291 Q292 E293 | I285-R289 WeakPolarHBondContact O-CG 3.36Å; I285-R289 PolarHBondContact O-N 3.03Å; Q287-R289 VanDerWaalsContact C-N 3.32Å; Q287-R289 PolarHBondContact O-N 3.1Å; R289-L291 VanDerWaalsContact C-N 3.31Å; R289-L291 PolarHBondContact O-N 3.34Å; R289-Q292 PolarHBondContact O-N 3.42Å; R289-E293 PolarHBondContact O-N 3.4Å; R289-E293 VanDerWaalsContact O-N 3.1Å |
| 290 | L | 94.2 | Very high | 93.4 | Very high | 91 Ų | 91 | 115 Ų | 115 | 48% | 0.476 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.1 | -39.3 | -176.7 | -167.5 | 69.7 | 0 | 0 | 0 | 111.4 | A286 Q287 E293 Y294 | A286-L290 WeakPolarHBondContact O-CB 3.48Å; A286-L290 PolarHBondContact O-N 3.32Å; A286-L290 VanDerWaalsContact O-N 3.13Å; Q287-L290 PolarHBondContact O-N 3.03Å; L290-E293 PolarHBondContact O-N 2.69Å; L290-Y294 HydrophobicContact CD1-CD2 4.17Å; L290-Y294 HydrophobicContact CD1-CE2 3.57Å; L290-Y294 HydrophobicContact CD2-CE2 4.04Å; L290-Y294 HydrophobicContact CG-CD2 3.84Å; L290-Y294 HydrophobicContact CG-CE2 3.55Å; L290-Y294 WeakPolarHBondContact O-CD2 3.45Å; L290-Y294 PolarHBondContact O-N 3.43Å; L290-Y294 VanDerWaalsContact O-N 3.12Å |
| 291 | L | 93.9 | Very high | 93.5 | Very high | 107 Ų | 107 | 113 Ų | 113 | 56% | 0.56 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.3 | -45.4 | 178.1 | -167.8 | 76.9 | 0 | 0 | 0 | 111.5 | Q287 R289 E293 Y294 E295 | Q287-L291 WeakPolarHBondContact O-CB 3.37Å; Q287-L291 PolarHBondContact O-N 3.39Å; R289-L291 VanDerWaalsContact C-N 3.31Å; R289-L291 PolarHBondContact O-N 3.34Å; L291-E293 VanDerWaalsContact C-N 3.31Å; L291-E293 PolarHBondContact O-N 3.04Å; L291-Y294 PolarHBondContact O-N 3.31Å; L291-E295 HydrophobicContact CG-CG 4.49Å; L291-E295 WeakPolarHBondContact O-CB 3.33Å; L291-E295 WeakPolarHBondContact O-CG 3.18Å; L291-E295 PolarHBondContact O-N 3.46Å |
| 292 | Q | 93.1 | Very high | 93.6 | Very high | 129 Ų | 129 | 111.5 Ų | 111.5 | 60% | 0.603 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.1 | -39.2 | 178.9 | -75.7 | -179.3 | -2.2 | 0 | 0 | 112.4 | E288 R289 T296 | E288-Q292 WeakPolarHBondContact O-CG 3.48Å; E288-Q292 PolarHBondContact O-N 3.13Å; R289-Q292 PolarHBondContact O-N 3.42Å; Q292-T296 WeakPolarHBondContact O-CB 3.27Å; Q292-T296 PolarHBondContact O-N 3.39Å; Q292-T296 PolarHBondContact O-OG1 2.92Å |
| 293 | E | 94.4 | Very high | 93.7 | Very high | 132 Ų | 132 | 111.8 Ų | 111.8 | 62% | 0.617 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.7 | -45.8 | 177.1 | -75.7 | -178.7 | -175.3 | 0 | 0 | 111.9 | R289 L290 L291 T296 R297 | R289-E293 PolarHBondContact O-N 3.4Å; R289-E293 VanDerWaalsContact O-N 3.1Å; L290-E293 PolarHBondContact O-N 2.69Å; L291-E293 VanDerWaalsContact C-N 3.31Å; L291-E293 PolarHBondContact O-N 3.04Å; E293-T296 PolarHBondContact O-N 3.43Å; E293-R297 VanDerWaalsContact O-CB 3.27Å; E293-R297 WeakPolarHBondContact O-CB 3.41Å; E293-R297 PolarHBondContact O-N 3.45Å |
| 294 | Y | 94.9 | Very high | 93.8 | Very high | 136 Ų | 136 | 112 Ų | 112 | 53% | 0.533 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.6 | -41.1 | 179.2 | -79.2 | -60.2 | 0 | 0 | 0 | 112.7 | L290 L291 T296 R297 N298 | L290-Y294 HydrophobicContact CD1-CD2 4.17Å; L290-Y294 HydrophobicContact CD1-CE2 3.57Å; L290-Y294 HydrophobicContact CD2-CE2 4.04Å; L290-Y294 HydrophobicContact CG-CD2 3.84Å; L290-Y294 HydrophobicContact CG-CE2 3.55Å; L290-Y294 WeakPolarHBondContact O-CD2 3.45Å; L290-Y294 PolarHBondContact O-N 3.43Å; L290-Y294 VanDerWaalsContact O-N 3.12Å; L291-Y294 PolarHBondContact O-N 3.31Å; Y294-T296 VanDerWaalsContact C-N 3.32Å; Y294-T296 PolarHBondContact O-N 2.94Å; Y294-R297 PolarHBondContact O-N 3.12Å; Y294-N298 WeakPolarHBondContact O-CB 3.22Å; Y294-N298 PolarHBondContact O-N 3.09Å |
| 295 | E | 93.7 | Very high | 93.8 | Very high | 90 Ų | 90 | 111.7 Ų | 111.7 | 42% | 0.421 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.9 | -39.8 | 177.3 | -74.3 | -176.8 | -179.3 | 0 | 0 | 112.1 | L291 R299 | L291-E295 HydrophobicContact CG-CG 4.49Å; L291-E295 WeakPolarHBondContact O-CB 3.33Å; L291-E295 WeakPolarHBondContact O-CG 3.18Å; L291-E295 PolarHBondContact O-N 3.46Å; E295-R299 WeakPolarHBondContact O-CB 3.46Å; E295-R299 WeakPolarHBondContact O-CG 3.4Å; E295-R299 PolarHBondContact O-N 3.26Å; E295-R299 VanDerWaalsContact O-N 3.1Å; E295-R299 PolarHBondContact O-NE 3.1Å; E295-R299 IonicContact OE2-NH2 3.61Å; E295-R299 PolarHBondContact OE2-NH2 2.86Å |
| 296 | T | 93.2 | Very high | 93.9 | Very high | 83 Ų | 83 | 115.2 Ų | 115.2 | 51% | 0.509 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.5 | -42.1 | 178.9 | -52.6 | 0 | 0 | 0 | 0 | 110.6 | Q292 E293 Y294 H300 | Q292-T296 WeakPolarHBondContact O-CB 3.27Å; Q292-T296 PolarHBondContact O-N 3.39Å; Q292-T296 PolarHBondContact O-OG1 2.92Å; E293-T296 PolarHBondContact O-N 3.43Å; Y294-T296 VanDerWaalsContact C-N 3.32Å; Y294-T296 PolarHBondContact O-N 2.94Å; T296-H300 PolarHBondContact O-N 3.39Å; T296-H300 VanDerWaalsContact O-N 3.09Å |
| 297 | R | 94.7 | Very high | 94 | Very high | 167 Ų | 167 | 118.4 Ų | 118.4 | 63% | 0.63 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66 | -44.8 | 178.2 | -175.2 | 172.1 | -177.5 | 164.5 | 0.7 | 112.2 | E293 Y294 H300 L301 | E293-R297 VanDerWaalsContact O-CB 3.27Å; E293-R297 WeakPolarHBondContact O-CB 3.41Å; E293-R297 PolarHBondContact O-N 3.45Å; Y294-R297 PolarHBondContact O-N 3.12Å; R297-H300 PolarHBondContact O-N 2.9Å; R297-L301 HydrophobicContact CG-CD1 4.06Å; R297-L301 HydrophobicContact CG-CG 4.48Å; R297-L301 WeakPolarHBondContact O-CG 3.4Å; R297-L301 PolarHBondContact O-N 3.29Å |
| 298 | N | 94.7 | Very high | 94.1 | Very high | 87 Ų | 87 | 113.9 Ų | 113.9 | 47% | 0.465 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.7 | -43.5 | 179.3 | -82.6 | -3.8 | 0 | 0 | 0 | 111.3 | Y294 H300 L301 E302 | Y294-N298 WeakPolarHBondContact O-CB 3.22Å; Y294-N298 PolarHBondContact O-N 3.09Å; N298-H300 VanDerWaalsContact C-N 3.27Å; N298-H300 PolarHBondContact O-N 3.45Å; N298-L301 PolarHBondContact O-N 3.32Å; N298-E302 WeakPolarHBondContact O-CB 3.34Å; N298-E302 WeakPolarHBondContact O-CG 3.38Å; N298-E302 PolarHBondContact O-N 2.96Å |
| 299 | R | 92.9 | Very high | 94.2 | Very high | 133 Ų | 133 | 113.2 Ų | 113.2 | 50% | 0.502 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -58.8 | -40.3 | 174.9 | -81 | -176.5 | -96.1 | 146.3 | -11.2 | 112.2 | E295 Q303 | E295-R299 WeakPolarHBondContact O-CB 3.46Å; E295-R299 WeakPolarHBondContact O-CG 3.4Å; E295-R299 PolarHBondContact O-N 3.26Å; E295-R299 VanDerWaalsContact O-N 3.1Å; E295-R299 PolarHBondContact O-NE 3.1Å; E295-R299 IonicContact OE2-NH2 3.61Å; E295-R299 PolarHBondContact OE2-NH2 2.86Å; R299-Q303 WeakPolarHBondContact O-CB 3.4Å; R299-Q303 WeakPolarHBondContact O-CG 3.34Å; R299-Q303 PolarHBondContact O-N 3.11Å; R299-Q303 VanDerWaalsContact O-N 3.11Å |
| 300 | H | 94.9 | Very high | 94.2 | Very high | 102 Ų | 102 | 108.6 Ų | 108.6 | 47% | 0.472 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.9 | -43.2 | 177.5 | -168.1 | 59.4 | 0 | 0 | 0 | 112.4 | T296 R297 N298 Q303 Q304 | T296-H300 PolarHBondContact O-N 3.39Å; T296-H300 VanDerWaalsContact O-N 3.09Å; R297-H300 PolarHBondContact O-N 2.9Å; N298-H300 VanDerWaalsContact C-N 3.27Å; N298-H300 PolarHBondContact O-N 3.45Å; H300-Q303 PolarHBondContact O-N 3.21Å; H300-Q304 PolarHBondContact CD2-NE2 2.93Å; H300-Q304 PolarHBondContact NE2-NE2 3.47Å; H300-Q304 WeakPolarHBondContact O-CG 3.37Å; H300-Q304 PolarHBondContact O-N 3.42Å |
| 301 | L | 94.2 | Very high | 94.3 | Very high | 72 Ų | 72 | 108.2 Ų | 108.2 | 38% | 0.377 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.9 | -41.5 | 177.9 | -73.6 | 172.5 | 0 | 0 | 0 | 112.2 | R297 N298 Q303 Q304 L305 | R297-L301 HydrophobicContact CG-CD1 4.06Å; R297-L301 HydrophobicContact CG-CG 4.48Å; R297-L301 WeakPolarHBondContact O-CG 3.4Å; R297-L301 PolarHBondContact O-N 3.29Å; N298-L301 PolarHBondContact O-N 3.32Å; L301-Q303 VanDerWaalsContact C-N 3.32Å; L301-Q303 PolarHBondContact O-N 3.32Å; L301-Q304 PolarHBondContact O-N 2.87Å; L301-L305 WeakPolarHBondContact O-CB 3.3Å; L301-L305 PolarHBondContact O-N 3.33Å |
| 302 | E | 94.8 | Very high | 94.2 | Very high | 130 Ų | 130 | 106 Ų | 106 | 61% | 0.607 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.8 | -41.5 | 175.6 | -75.5 | 175.1 | 178.9 | 0 | 0 | 111.6 | N298 K306 | N298-E302 WeakPolarHBondContact O-CB 3.34Å; N298-E302 WeakPolarHBondContact O-CG 3.38Å; N298-E302 PolarHBondContact O-N 2.96Å; E302-K306 VanDerWaalsContact O-CB 3.3Å; E302-K306 WeakPolarHBondContact O-CB 3.43Å; E302-K306 PolarHBondContact O-N 2.86Å |
| 303 | Q | 94.2 | Very high | 94.3 | Very high | 125 Ų | 125 | 107.4 Ų | 107.4 | 58% | 0.584 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.1 | -44.9 | 175.6 | -73.8 | 172.2 | 2.6 | 0 | 0 | 111.8 | R299 H300 L301 K306 Q307 | R299-Q303 WeakPolarHBondContact O-CB 3.4Å; R299-Q303 WeakPolarHBondContact O-CG 3.34Å; R299-Q303 PolarHBondContact O-N 3.11Å; R299-Q303 VanDerWaalsContact O-N 3.11Å; H300-Q303 PolarHBondContact O-N 3.21Å; L301-Q303 VanDerWaalsContact C-N 3.32Å; L301-Q303 PolarHBondContact O-N 3.32Å; Q303-K306 PolarHBondContact O-N 2.92Å; Q303-Q307 WeakPolarHBondContact O-CB 3.5Å; Q303-Q307 PolarHBondContact O-N 2.97Å |
| 304 | Q | 94.6 | Very high | 94.3 | Very high | 104 Ų | 104 | 107.1 Ų | 107.1 | 49% | 0.486 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62 | -44.5 | 176.9 | -75.9 | -175.4 | -15 | 0 | 0 | 112.1 | H300 L301 Q307 G308 | H300-Q304 PolarHBondContact CD2-NE2 2.93Å; H300-Q304 PolarHBondContact NE2-NE2 3.47Å; H300-Q304 WeakPolarHBondContact O-CG 3.37Å; H300-Q304 PolarHBondContact O-N 3.42Å; L301-Q304 PolarHBondContact O-N 2.87Å; Q304-Q307 PolarHBondContact O-N 3.33Å; Q304-G308 PolarHBondContact O-N 3.01Å |
| 305 | L | 93.9 | Very high | 94.2 | Very high | 123 Ų | 123 | 103.8 Ų | 103.8 | 64% | 0.644 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.6 | -46.2 | 177.5 | -103.2 | 150.4 | 0 | 0 | 0 | 111.5 | L301 Q307 G308 V309 | L301-L305 WeakPolarHBondContact O-CB 3.3Å; L301-L305 PolarHBondContact O-N 3.33Å; L305-Q307 VanDerWaalsContact C-N 3.33Å; L305-Q307 PolarHBondContact O-N 2.88Å; L305-G308 PolarHBondContact O-N 2.97Å; L305-V309 WeakPolarHBondContact O-CG2 3.38Å; L305-V309 PolarHBondContact O-N 2.94Å |
| 306 | K | 94.7 | Very high | 94.2 | Very high | 143 Ų | 143 | 106.2 Ų | 106.2 | 62% | 0.622 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.9 | -46.1 | 178.3 | -173.5 | 175.7 | -179.7 | 179.9 | 0 | 111.2 | E302 Q303 V309 D310 | E302-K306 VanDerWaalsContact O-CB 3.3Å; E302-K306 WeakPolarHBondContact O-CB 3.43Å; E302-K306 PolarHBondContact O-N 2.86Å; Q303-K306 PolarHBondContact O-N 2.92Å; K306-V309 PolarHBondContact O-N 3.25Å; K306-D310 PolarHBondContact O-N 3.4Å |
| 307 | Q | 94.9 | Very high | 94.3 | Very high | 126 Ų | 126 | 105.8 Ų | 105.8 | 59% | 0.589 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.4 | -43.8 | 178.4 | -170.4 | 167.1 | 1.4 | 0 | 0 | 112 | Q303 Q304 L305 V309 D310 D311 | Q303-Q307 WeakPolarHBondContact O-CB 3.5Å; Q303-Q307 PolarHBondContact O-N 2.97Å; Q304-Q307 PolarHBondContact O-N 3.33Å; L305-Q307 VanDerWaalsContact C-N 3.33Å; L305-Q307 PolarHBondContact O-N 2.88Å; Q307-V309 VanDerWaalsContact C-N 3.33Å; Q307-V309 PolarHBondContact O-N 3.45Å; Q307-D310 PolarHBondContact O-N 3.42Å; Q307-D311 WeakPolarHBondContact O-CB 3.33Å; Q307-D311 PolarHBondContact O-N 3.39Å |
| 308 | G | 93.9 | Very high | 94.1 | Very high | 42 Ų | 42 | 101.4 Ų | 101.4 | 43% | 0.433 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.8 | -38 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q304 L305 A312 | Q304-G308 PolarHBondContact O-N 3.01Å; L305-G308 PolarHBondContact O-N 2.97Å; G308-A312 WeakPolarHBondContact O-CB 3.38Å; G308-A312 PolarHBondContact O-N 3.32Å; G308-A312 VanDerWaalsContact O-N 3.09Å |
| 309 | V | 94.6 | Very high | 94.1 | Very high | 89 Ų | 89 | 101 Ų | 101 | 54% | 0.539 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68 | -44.1 | 175.1 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | L305 K306 Q307 D311 A312 R313 | L305-V309 WeakPolarHBondContact O-CG2 3.38Å; L305-V309 PolarHBondContact O-N 2.94Å; K306-V309 PolarHBondContact O-N 3.25Å; Q307-V309 VanDerWaalsContact C-N 3.33Å; Q307-V309 PolarHBondContact O-N 3.45Å; V309-D311 VanDerWaalsContact C-N 3.34Å; V309-D311 PolarHBondContact O-N 3.45Å; V309-A312 PolarHBondContact O-N 3.03Å; V309-R313 WeakPolarHBondContact O-CB 3.34Å; V309-R313 PolarHBondContact O-N 2.95Å |
| 310 | D | 94.9 | Very high | 94.1 | Very high | 69 Ų | 69 | 103 Ų | 103 | 37% | 0.369 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.2 | -39.7 | 179.8 | -75 | -23.5 | 0 | 0 | 0 | 111.8 | K306 Q307 R313 K314 | K306-D310 PolarHBondContact O-N 3.4Å; Q307-D310 PolarHBondContact O-N 3.42Å; D310-R313 PolarHBondContact O-N 3.39Å; D310-K314 WeakPolarHBondContact O-CG 3.47Å; D310-K314 PolarHBondContact O-N 3.46Å |
| 311 | D | 94.6 | Very high | 94 | Very high | 83 Ų | 83 | 105.5 Ų | 105.5 | 44% | 0.444 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.6 | -44 | 177.6 | -70.5 | -20.7 | 0 | 0 | 0 | 111.8 | Q307 V309 R313 K314 S315 | Q307-D311 WeakPolarHBondContact O-CB 3.33Å; Q307-D311 PolarHBondContact O-N 3.39Å; V309-D311 VanDerWaalsContact C-N 3.34Å; V309-D311 PolarHBondContact O-N 3.45Å; D311-R313 VanDerWaalsContact C-N 3.29Å; D311-R313 PolarHBondContact O-N 3.48Å; D311-K314 PolarHBondContact O-N 2.97Å; D311-S315 WeakPolarHBondContact O-CB 3.41Å; D311-S315 PolarHBondContact O-N 2.93Å |
| 312 | A | 92.6 | Very high | 94 | Very high | 62 Ų | 62 | 107 Ų | 107 | 51% | 0.512 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.7 | -40.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | G308 V309 S315 F316 | G308-A312 WeakPolarHBondContact O-CB 3.38Å; G308-A312 PolarHBondContact O-N 3.32Å; G308-A312 VanDerWaalsContact O-N 3.09Å; V309-A312 PolarHBondContact O-N 3.03Å; A312-S315 PolarHBondContact O-N 3.45Å; A312-F316 WeakPolarHBondContact O-CB 3.5Å; A312-F316 PolarHBondContact O-N 2.79Å |
| 313 | R | 94.6 | Very high | 93.9 | Very high | 157 Ų | 157 | 109 Ų | 109 | 59% | 0.592 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.5 | -47.5 | 176.8 | -177.1 | 178.9 | 175.7 | 173.9 | 3.4 | 111.9 | V309 D310 D311 S315 F316 E317 | V309-R313 WeakPolarHBondContact O-CB 3.34Å; V309-R313 PolarHBondContact O-N 2.95Å; D310-R313 PolarHBondContact O-N 3.39Å; D311-R313 VanDerWaalsContact C-N 3.29Å; D311-R313 PolarHBondContact O-N 3.48Å; R313-S315 VanDerWaalsContact C-N 3.33Å; R313-S315 PolarHBondContact O-N 3.45Å; R313-F316 PolarHBondContact O-N 3.09Å; R313-E317 IonicContact CZ-OE1 3.59Å; R313-E317 IonicContact NE-OE1 2.64Å; R313-E317 PolarHBondContact NE-OE1 3.18Å; R313-E317 IonicContact NH2-OE1 3.48Å; R313-E317 WeakPolarHBondContact O-CB 3.43Å; R313-E317 WeakPolarHBondContact O-CG 3.48Å; R313-E317 PolarHBondContact O-N 2.98Å |
| 314 | K | 94 | Very high | 93.9 | Very high | 126 Ų | 126 | 108.7 Ų | 108.7 | 55% | 0.548 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.1 | -40.3 | 177.5 | -74 | 173.4 | -174.2 | 167.8 | 0 | 112.3 | D310 D311 E317 S318 | D310-K314 WeakPolarHBondContact O-CG 3.47Å; D310-K314 PolarHBondContact O-N 3.46Å; D311-K314 PolarHBondContact O-N 2.97Å; K314-E317 PolarHBondContact O-N 3.32Å; K314-S318 WeakPolarHBondContact O-CB 3.38Å; K314-S318 PolarHBondContact O-N 2.93Å; K314-S318 PolarHBondContact O-OG 3.47Å |
| 315 | S | 94.3 | Very high | 93.7 | Very high | 66 Ų | 66 | 106.6 Ų | 106.6 | 46% | 0.462 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58.3 | -51.6 | 174.7 | -173.3 | 0 | 0 | 0 | 0 | 110.8 | D311 A312 R313 E317 S318 D319 | D311-S315 WeakPolarHBondContact O-CB 3.41Å; D311-S315 PolarHBondContact O-N 2.93Å; A312-S315 PolarHBondContact O-N 3.45Å; R313-S315 VanDerWaalsContact C-N 3.33Å; R313-S315 PolarHBondContact O-N 3.45Å; S315-E317 PolarHBondContact O-N 3.47Å; S315-S318 PolarHBondContact O-N 3.38Å; S315-D319 PolarHBondContact O-N 3.38Å |
| 316 | F | 93.6 | Very high | 93.7 | Very high | 141 Ų | 141 | 105.2 Ų | 105.2 | 62% | 0.618 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.4 | -40.4 | 179.9 | -175.8 | -95.6 | 0 | 0 | 0 | 113.1 | A312 R313 S318 R320 | A312-F316 WeakPolarHBondContact O-CB 3.5Å; A312-F316 PolarHBondContact O-N 2.79Å; R313-F316 PolarHBondContact O-N 3.09Å; F316-S318 VanDerWaalsContact C-N 3.33Å; F316-R320 VanDerWaalsContact O-CB 3.28Å; F316-R320 WeakPolarHBondContact O-CB 3.09Å; F316-R320 PolarHBondContact O-N 3.03Å |
| 317 | E | 93.8 | Very high | 93.6 | Very high | 75 Ų | 75 | 103.3 Ų | 103.3 | 35% | 0.35 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 176 | -75.5 | 174.3 | -174.2 | 0 | 0 | 111.3 | R313 K314 S315 R320 F321 | R313-E317 IonicContact CZ-OE1 3.59Å; R313-E317 IonicContact NE-OE1 2.64Å; R313-E317 PolarHBondContact NE-OE1 3.18Å; R313-E317 IonicContact NH2-OE1 3.48Å; R313-E317 WeakPolarHBondContact O-CB 3.43Å; R313-E317 WeakPolarHBondContact O-CG 3.48Å; R313-E317 PolarHBondContact O-N 2.98Å; K314-E317 PolarHBondContact O-N 3.32Å; S315-E317 PolarHBondContact O-N 3.47Å; E317-R320 PolarHBondContact O-N 3Å; E317-F321 WeakPolarHBondContact O-CD2 3.28Å; E317-F321 PolarHBondContact O-N 3.03Å |
| 318 | S | 92.5 | Very high | 93.5 | Very high | 75 Ų | 75 | 100.4 Ų | 100.4 | 52% | 0.524 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.4 | -48.2 | 177.5 | -56.9 | 0 | 0 | 0 | 0 | 111.9 | K314 S315 F316 R320 F321 E322 | K314-S318 WeakPolarHBondContact O-CB 3.38Å; K314-S318 PolarHBondContact O-N 2.93Å; K314-S318 PolarHBondContact O-OG 3.47Å; S315-S318 PolarHBondContact O-N 3.38Å; F316-S318 VanDerWaalsContact C-N 3.33Å; S318-R320 VanDerWaalsContact C-N 3.29Å; S318-R320 PolarHBondContact O-N 3.22Å; S318-F321 PolarHBondContact O-N 3.01Å; S318-E322 PolarHBondContact O-N 3.01Å |
| 319 | D | 93.3 | Very high | 93.4 | Very high | 79 Ų | 79 | 102.4 Ų | 102.4 | 42% | 0.422 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.4 | -44 | 175.6 | -69.9 | -15.5 | 0 | 0 | 0 | 110.9 | S315 F321 E322 W323 | S315-D319 PolarHBondContact O-N 3.38Å; D319-F321 VanDerWaalsContact C-N 3.34Å; D319-F321 PolarHBondContact O-N 3.45Å; D319-E322 PolarHBondContact O-N 2.92Å; D319-W323 PolarHBondContact O-N 2.96Å |
| 320 | R | 92.9 | Very high | 93.3 | Very high | 175 Ų | 175 | 102.1 Ų | 102.1 | 66% | 0.66 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.7 | -41.9 | 178.1 | -179.9 | -177 | 166.1 | -167.3 | -3.5 | 112 | F316 E317 S318 K324 | F316-R320 VanDerWaalsContact O-CB 3.28Å; F316-R320 WeakPolarHBondContact O-CB 3.09Å; F316-R320 PolarHBondContact O-N 3.03Å; E317-R320 PolarHBondContact O-N 3Å; S318-R320 VanDerWaalsContact C-N 3.29Å; S318-R320 PolarHBondContact O-N 3.22Å; R320-K324 WeakPolarHBondContact O-CB 3.33Å; R320-K324 PolarHBondContact O-N 3.28Å |
| 321 | F | 93 | Very high | 93.2 | Very high | 154 Ų | 154 | 104 Ų | 104 | 68% | 0.675 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.2 | -42.5 | 175.8 | -83.6 | -66.9 | 0 | 0 | 0 | 111.8 | E317 S318 D319 K324 A325 | E317-F321 WeakPolarHBondContact O-CD2 3.28Å; E317-F321 PolarHBondContact O-N 3.03Å; S318-F321 PolarHBondContact O-N 3.01Å; D319-F321 VanDerWaalsContact C-N 3.34Å; D319-F321 PolarHBondContact O-N 3.45Å; F321-K324 PolarHBondContact O-N 2.97Å; F321-A325 PolarHBondContact O-N 3.35Å |
| 322 | E | 93.7 | Very high | 93 | Very high | 104 Ų | 104 | 105.5 Ų | 105.5 | 49% | 0.486 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.8 | -46.2 | 178 | -166.5 | -170.4 | 150.6 | 0 | 0 | 111.8 | S318 D319 K324 A325 K326 | S318-E322 PolarHBondContact O-N 3.01Å; D319-E322 PolarHBondContact O-N 2.92Å; E322-K324 VanDerWaalsContact C-N 3.33Å; E322-K324 PolarHBondContact O-N 3.23Å; E322-A325 PolarHBondContact O-N 3.42Å; E322-K326 PolarHBondContact O-N 2.99Å; E322-K326 VanDerWaalsContact OE1-CE 3.29Å; E322-K326 WeakPolarHBondContact OE1-CE 3.5Å; E322-K326 IonicContact OE1-NZ 2.83Å; E322-K326 PolarHBondContact OE1-NZ 3.47Å |
| 323 | W | 93.5 | Very high | 92.9 | Very high | 170 Ų | 170 | 106.1 Ų | 106.1 | 64% | 0.644 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.2 | -37.7 | 177 | -77.7 | 114.1 | 0 | 0 | 0 | 112.7 | D319 K326 L327 | D319-W323 PolarHBondContact O-N 2.96Å; W323-K326 HydrophobicContact CE3-CD 4.09Å; W323-K326 HydrophobicContact CZ3-CD 4.16Å; W323-K326 PolarHBondContact O-N 3.42Å; W323-L327 WeakPolarHBondContact O-CB 3.29Å; W323-L327 PolarHBondContact O-N 3.03Å |
| 324 | K | 93.8 | Very high | 92.7 | Very high | 120 Ų | 120 | 103.6 Ų | 103.6 | 52% | 0.522 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.6 | -44.5 | 174.6 | -171.9 | 175.7 | 179.6 | -177.1 | 0 | 111.5 | R320 F321 E322 K326 L327 D328 | R320-K324 WeakPolarHBondContact O-CB 3.33Å; R320-K324 PolarHBondContact O-N 3.28Å; F321-K324 PolarHBondContact O-N 2.97Å; E322-K324 VanDerWaalsContact C-N 3.33Å; E322-K324 PolarHBondContact O-N 3.23Å; K324-K326 VanDerWaalsContact C-N 3.33Å; K324-K326 PolarHBondContact O-N 3.4Å; K324-L327 WeakPolarHBondContact O-CB 3.44Å; K324-L327 PolarHBondContact O-N 2.9Å; K324-L327 VanDerWaalsContact O-N 3.16Å; K324-D328 VanDerWaalsContact O-CG 3.29Å; K324-D328 PolarHBondContact O-N 2.68Å |
| 325 | A | 91.8 | Very high | 92.5 | Very high | 59 Ų | 59 | 103.9 Ų | 103.9 | 49% | 0.488 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.6 | -40.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | F321 E322 L327 D328 E329 | F321-A325 PolarHBondContact O-N 3.35Å; E322-A325 PolarHBondContact O-N 3.42Å; A325-L327 VanDerWaalsContact C-N 3.34Å; A325-D328 PolarHBondContact O-N 3.16Å; A325-E329 WeakPolarHBondContact O-CB 3.45Å; A325-E329 PolarHBondContact O-N 2.98Å |
| 326 | K | 92.7 | Very high | 92.4 | Very high | 95 Ų | 95 | 105.1 Ų | 105.1 | 41% | 0.413 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.8 | -40 | 173.8 | -73.3 | 175.9 | -174 | 163.2 | 0 | 112.1 | E322 W323 K324 E329 V330 | E322-K326 PolarHBondContact O-N 2.99Å; E322-K326 VanDerWaalsContact OE1-CE 3.29Å; E322-K326 WeakPolarHBondContact OE1-CE 3.5Å; E322-K326 IonicContact OE1-NZ 2.83Å; E322-K326 PolarHBondContact OE1-NZ 3.47Å; W323-K326 HydrophobicContact CE3-CD 4.09Å; W323-K326 HydrophobicContact CZ3-CD 4.16Å; W323-K326 PolarHBondContact O-N 3.42Å; K324-K326 VanDerWaalsContact C-N 3.33Å; K324-K326 PolarHBondContact O-N 3.4Å; K326-E329 PolarHBondContact O-N 3.27Å; K326-V330 WeakPolarHBondContact O-CG2 3.36Å; K326-V330 PolarHBondContact O-N 3.11Å; K326-V330 VanDerWaalsContact O-N 3.11Å |
| 327 | L | 92.6 | Very high | 92.1 | Very high | 103 Ų | 103 | 104 Ų | 104 | 54% | 0.539 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.6 | -49.4 | 176.9 | -170.5 | 73.2 | 0 | 0 | 0 | 111.3 | W323 K324 A325 E329 V330 E331 | W323-L327 WeakPolarHBondContact O-CB 3.29Å; W323-L327 PolarHBondContact O-N 3.03Å; K324-L327 WeakPolarHBondContact O-CB 3.44Å; K324-L327 PolarHBondContact O-N 2.9Å; K324-L327 VanDerWaalsContact O-N 3.16Å; A325-L327 VanDerWaalsContact C-N 3.34Å; L327-E329 PolarHBondContact O-N 3.12Å; L327-V330 PolarHBondContact O-N 3.48Å; L327-V330 VanDerWaalsContact O-N 3.11Å; L327-E331 PolarHBondContact O-N 2.64Å |
| 328 | D | 92.9 | Very high | 91.7 | Very high | 65 Ų | 65 | 103.3 Ų | 103.3 | 35% | 0.348 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.7 | -34.8 | 178.8 | -66.4 | -13.5 | 0 | 0 | 0 | 111.4 | K324 A325 R332 | K324-D328 VanDerWaalsContact O-CG 3.29Å; K324-D328 PolarHBondContact O-N 2.68Å; A325-D328 PolarHBondContact O-N 3.16Å; D328-R332 WeakPolarHBondContact O-CB 3.5Å; D328-R332 PolarHBondContact O-N 3.47Å; D328-R332 VanDerWaalsContact O-N 3.12Å |
| 329 | E | 92.6 | Very high | 91.5 | Very high | 83 Ų | 83 | 103.4 Ų | 103.4 | 39% | 0.388 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.1 | -46.3 | 174.1 | -175.2 | 60.7 | -138.7 | 0 | 0 | 112.4 | A325 K326 L327 R332 N333 | A325-E329 WeakPolarHBondContact O-CB 3.45Å; A325-E329 PolarHBondContact O-N 2.98Å; K326-E329 PolarHBondContact O-N 3.27Å; L327-E329 PolarHBondContact O-N 3.12Å; E329-R332 VanDerWaalsContact CD-NH1 3.29Å; E329-R332 PolarHBondContact O-N 3.05Å; E329-R332 IonicContact OE1-NH1 2.79Å; E329-R332 PolarHBondContact OE1-NH1 3.11Å; E329-R332 IonicContact OE2-CZ 3.93Å; E329-R332 IonicContact OE2-NH1 3.84Å; E329-R332 PolarHBondContact OE2-NH1 3.26Å; E329-R332 IonicContact OE2-NH2 3.74Å; E329-N333 PolarHBondContact O-N 2.92Å; E329-N333 PolarHBondContact O-ND2 3.39Å; E329-N333 PolarHBondContact OE1-ND2 2.95Å; E329-N333 VanDerWaalsContact OE1-ND2 3.08Å |
| 330 | V | 92 | Very high | 91.3 | Very high | 83 Ų | 83 | 103.2 Ų | 103.2 | 50% | 0.503 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 177.8 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | K326 L327 R332 N333 L334 | K326-V330 WeakPolarHBondContact O-CG2 3.36Å; K326-V330 PolarHBondContact O-N 3.11Å; K326-V330 VanDerWaalsContact O-N 3.11Å; L327-V330 PolarHBondContact O-N 3.48Å; L327-V330 VanDerWaalsContact O-N 3.11Å; V330-R332 VanDerWaalsContact C-N 3.32Å; V330-R332 PolarHBondContact O-N 2.99Å; V330-N333 PolarHBondContact O-N 3.28Å; V330-L334 HydrophobicContact CG1-CD1 4.04Å; V330-L334 WeakPolarHBondContact O-CG 3.42Å; V330-L334 PolarHBondContact O-N 3.43Å |
| 331 | E | 92 | Very high | 91 | Very high | 109 Ų | 109 | 100.8 Ų | 100.8 | 51% | 0.509 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.9 | -43.7 | 175.8 | -77.6 | -173.6 | 166.5 | 0 | 0 | 111.9 | L327 L334 Q335 | L327-E331 PolarHBondContact O-N 2.64Å; E331-L334 PolarHBondContact O-N 3.08Å; E331-Q335 PolarHBondContact O-N 3.33Å |
| 332 | R | 91.1 | Very high | 90.8 | Very high | 115 Ų | 115 | 99.2 Ų | 99.2 | 43% | 0.434 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.1 | -40.9 | 178.5 | -152.3 | -176.3 | -44.6 | 105.5 | 7.2 | 112 | D328 E329 V330 Q335 N336 | D328-R332 WeakPolarHBondContact O-CB 3.5Å; D328-R332 PolarHBondContact O-N 3.47Å; D328-R332 VanDerWaalsContact O-N 3.12Å; E329-R332 VanDerWaalsContact CD-NH1 3.29Å; E329-R332 PolarHBondContact O-N 3.05Å; E329-R332 IonicContact OE1-NH1 2.79Å; E329-R332 PolarHBondContact OE1-NH1 3.11Å; E329-R332 IonicContact OE2-CZ 3.93Å; E329-R332 IonicContact OE2-NH1 3.84Å; E329-R332 PolarHBondContact OE2-NH1 3.26Å; E329-R332 IonicContact OE2-NH2 3.74Å; V330-R332 VanDerWaalsContact C-N 3.32Å; V330-R332 PolarHBondContact O-N 2.99Å; R332-Q335 PolarHBondContact O-N 3.35Å; R332-N336 WeakPolarHBondContact O-CB 3.43Å; R332-N336 VanDerWaalsContact O-CG 3.23Å; R332-N336 PolarHBondContact O-N 2.92Å; R332-N336 PolarHBondContact O-ND2 2.99Å |
| 333 | N | 90.8 | Very high | 90.6 | Very high | 75 Ų | 75 | 102.6 Ų | 102.6 | 40% | 0.401 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 176.5 | -73 | -37.4 | 0 | 0 | 0 | 111.8 | E329 V330 N336 E337 | E329-N333 PolarHBondContact O-N 2.92Å; E329-N333 PolarHBondContact O-ND2 3.39Å; E329-N333 PolarHBondContact OE1-ND2 2.95Å; E329-N333 VanDerWaalsContact OE1-ND2 3.08Å; V330-N333 PolarHBondContact O-N 3.28Å; N333-N336 PolarHBondContact O-N 3.28Å; N333-E337 PolarHBondContact O-N 2.98Å |
| 334 | L | 90.4 | Very high | 90.4 | Very high | 103 Ų | 103 | 101.1 Ų | 101.1 | 54% | 0.539 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.7 | -41.3 | 174.4 | -75.5 | 169.6 | 0 | 0 | 0 | 112.6 | V330 E331 N336 E337 A338 | V330-L334 HydrophobicContact CG1-CD1 4.04Å; V330-L334 WeakPolarHBondContact O-CG 3.42Å; V330-L334 PolarHBondContact O-N 3.43Å; E331-L334 PolarHBondContact O-N 3.08Å; L334-N336 VanDerWaalsContact C-N 3.35Å; L334-E337 PolarHBondContact O-N 3.45Å; L334-A338 WeakPolarHBondContact O-CB 3.32Å; L334-A338 PolarHBondContact O-N 3.17Å |
| 335 | Q | 90.5 | Very high | 90.1 | Very high | 133 Ų | 133 | 99.2 Ų | 99.2 | 62% | 0.621 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.5 | -43.3 | 173.5 | -88.7 | -176.9 | -23.8 | 0 | 0 | 112 | E331 R332 A338 I339 | E331-Q335 PolarHBondContact O-N 3.33Å; R332-Q335 PolarHBondContact O-N 3.35Å; Q335-A338 PolarHBondContact O-N 2.94Å; Q335-I339 VanDerWaalsContact O-CG1 3.32Å; Q335-I339 WeakPolarHBondContact O-CG1 3.44Å; Q335-I339 PolarHBondContact O-N 2.99Å |
| 336 | N | 90.5 | Very high | 90 | Very high | 91 Ų | 91 | 100.2 Ų | 100.2 | 49% | 0.487 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.1 | -41.5 | 177.2 | -72.1 | -26.1 | 0 | 0 | 0 | 111.9 | R332 N333 L334 I339 S340 | R332-N336 WeakPolarHBondContact O-CB 3.43Å; R332-N336 VanDerWaalsContact O-CG 3.23Å; R332-N336 PolarHBondContact O-N 2.92Å; R332-N336 PolarHBondContact O-ND2 2.99Å; N333-N336 PolarHBondContact O-N 3.28Å; L334-N336 VanDerWaalsContact C-N 3.35Å; N336-I339 PolarHBondContact O-N 3.45Å; N336-S340 WeakPolarHBondContact O-CB 3.35Å; N336-S340 PolarHBondContact O-N 3.34Å |
| 337 | E | 88.2 | Confident | 89.9 | Confident | 119 Ų | 119 | 101.4 Ų | 101.4 | 56% | 0.556 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.7 | -44 | 173.6 | -78.6 | -174.3 | 166.2 | 0 | 0 | 111.9 | N333 L334 I339 S340 H341 | N333-E337 PolarHBondContact O-N 2.98Å; L334-E337 PolarHBondContact O-N 3.45Å; E337-I339 PolarHBondContact O-N 2.9Å; E337-S340 WeakPolarHBondContact O-CB 3.45Å; E337-S340 PolarHBondContact O-N 3.37Å; E337-S340 VanDerWaalsContact O-N 3.17Å; E337-H341 PolarHBondContact O-CD2 3.29Å; E337-H341 PolarHBondContact O-N 3.47Å |
| 338 | A | 85.8 | Confident | 89.7 | Confident | 60 Ų | 60 | 101.1 Ų | 101.1 | 50% | 0.496 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.6 | -45.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L334 Q335 S340 H341 E342 | L334-A338 WeakPolarHBondContact O-CB 3.32Å; L334-A338 PolarHBondContact O-N 3.17Å; Q335-A338 PolarHBondContact O-N 2.94Å; A338-S340 VanDerWaalsContact C-N 3.32Å; A338-S340 PolarHBondContact O-N 3.04Å; A338-H341 PolarHBondContact O-N 3.36Å; A338-E342 WeakPolarHBondContact O-CB 3.43Å; A338-E342 PolarHBondContact O-N 3.43Å |
| 339 | I | 88.7 | Confident | 89.6 | Confident | 77 Ų | 77 | 102.3 Ų | 102.3 | 40% | 0.395 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62 | -40.7 | 175.5 | -67.4 | 165.2 | 0 | 0 | 0 | 111 | Q335 N336 E337 E342 R343 | Q335-I339 VanDerWaalsContact O-CG1 3.32Å; Q335-I339 WeakPolarHBondContact O-CG1 3.44Å; Q335-I339 PolarHBondContact O-N 2.99Å; N336-I339 PolarHBondContact O-N 3.45Å; E337-I339 PolarHBondContact O-N 2.9Å; I339-E342 PolarHBondContact O-N 2.89Å; I339-R343 WeakPolarHBondContact O-CG 3.38Å; I339-R343 PolarHBondContact O-N 2.97Å |
| 340 | S | 88.5 | Confident | 89.4 | Confident | 74 Ų | 74 | 104 Ų | 104 | 52% | 0.517 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 176.2 | -175.6 | 0 | 0 | 0 | 0 | 111.5 | N336 E337 A338 R343 K344 | N336-S340 WeakPolarHBondContact O-CB 3.35Å; N336-S340 PolarHBondContact O-N 3.34Å; E337-S340 WeakPolarHBondContact O-CB 3.45Å; E337-S340 PolarHBondContact O-N 3.37Å; E337-S340 VanDerWaalsContact O-N 3.17Å; A338-S340 VanDerWaalsContact C-N 3.32Å; A338-S340 PolarHBondContact O-N 3.04Å; S340-R343 PolarHBondContact O-N 3.47Å; S340-K344 PolarHBondContact O-N 2.88Å |
| 341 | H | 86.8 | Confident | 89.2 | Confident | 124 Ų | 124 | 105.8 Ų | 105.8 | 57% | 0.574 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.2 | -44.1 | 175.5 | -87.9 | -76.9 | 0 | 0 | 0 | 112.5 | E337 A338 R343 K344 V345 | E337-H341 PolarHBondContact O-CD2 3.29Å; E337-H341 PolarHBondContact O-N 3.47Å; A338-H341 PolarHBondContact O-N 3.36Å; H341-R343 PolarHBondContact O-N 3.41Å; H341-K344 WeakPolarHBondContact O-CB 3.35Å; H341-K344 PolarHBondContact O-N 2.93Å; H341-K344 VanDerWaalsContact O-N 3.14Å; H341-V345 WeakPolarHBondContact O-CG2 3.48Å; H341-V345 PolarHBondContact O-N 3.14Å |
| 342 | E | 87.8 | Confident | 89 | Confident | 122 Ų | 122 | 104 Ų | 104 | 57% | 0.57 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.1 | -46 | 176.4 | -172 | -175.7 | -178.8 | 0 | 0 | 111.6 | A338 I339 K344 V345 N346 | A338-E342 WeakPolarHBondContact O-CB 3.43Å; A338-E342 PolarHBondContact O-N 3.43Å; I339-E342 PolarHBondContact O-N 2.89Å; E342-K344 VanDerWaalsContact C-N 3.29Å; E342-K344 PolarHBondContact O-N 3.27Å; E342-V345 PolarHBondContact O-N 3.41Å; E342-N346 PolarHBondContact O-N 3.46Å; E342-N346 PolarHBondContact O-ND2 3.24Å |
| 343 | R | 90 | Very high | 88.8 | Confident | 174 Ų | 174 | 102.8 Ų | 102.8 | 66% | 0.657 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -58.1 | -41.6 | 174 | -74.7 | 176.3 | 179.5 | -179.8 | 1.3 | 112 | I339 S340 H341 N346 L347 | I339-R343 WeakPolarHBondContact O-CG 3.38Å; I339-R343 PolarHBondContact O-N 2.97Å; S340-R343 PolarHBondContact O-N 3.47Å; H341-R343 PolarHBondContact O-N 3.41Å; R343-N346 PolarHBondContact O-N 2.96Å; R343-L347 PolarHBondContact O-N 3.1Å |
| 344 | K | 89.6 | Confident | 88.7 | Confident | 139 Ų | 139 | 104 Ų | 104 | 60% | 0.604 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.7 | -41.3 | 178.8 | -155 | 173.3 | -172.2 | 177 | 0 | 111.7 | S340 H341 E342 L347 L348 | S340-K344 PolarHBondContact O-N 2.88Å; H341-K344 WeakPolarHBondContact O-CB 3.35Å; H341-K344 PolarHBondContact O-N 2.93Å; H341-K344 VanDerWaalsContact O-N 3.14Å; E342-K344 VanDerWaalsContact C-N 3.29Å; E342-K344 PolarHBondContact O-N 3.27Å; K344-L347 PolarHBondContact O-N 3.36Å; K344-L348 WeakPolarHBondContact O-CG 3.48Å; K344-L348 PolarHBondContact O-N 3.24Å; K344-L348 VanDerWaalsContact O-N 3.1Å |
| 345 | V | 87.4 | Confident | 88.7 | Confident | 80 Ų | 80 | 103.8 Ų | 103.8 | 49% | 0.485 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.1 | -43.3 | 174.5 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | H341 E342 L347 L348 L349 | H341-V345 WeakPolarHBondContact O-CG2 3.48Å; H341-V345 PolarHBondContact O-N 3.14Å; E342-V345 PolarHBondContact O-N 3.41Å; V345-L347 VanDerWaalsContact C-N 3.34Å; V345-L347 PolarHBondContact O-N 2.91Å; V345-L348 PolarHBondContact O-N 3.31Å; V345-L349 HydrophobicContact CG1-CD1 4.09Å; V345-L349 PolarHBondContact O-N 3.46Å |
| 346 | N | 89.4 | Confident | 88.6 | Confident | 81 Ų | 81 | 104.1 Ų | 104.1 | 43% | 0.433 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.6 | -39.6 | 177 | -76.3 | -28.4 | 0 | 0 | 0 | 112.6 | E342 R343 L349 L350 | E342-N346 PolarHBondContact O-N 3.46Å; E342-N346 PolarHBondContact O-ND2 3.24Å; R343-N346 PolarHBondContact O-N 2.96Å; N346-L349 PolarHBondContact O-N 3.01Å; N346-L350 WeakPolarHBondContact O-CG 3.41Å; N346-L350 PolarHBondContact O-N 3.36Å |
| 347 | L | 90.3 | Very high | 88.6 | Confident | 119 Ų | 119 | 106.6 Ų | 106.6 | 62% | 0.623 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -59.8 | -48 | 172.3 | -97.3 | 150.9 | 0 | 0 | 0 | 111.9 | R343 K344 V345 L349 L350 E351 | R343-L347 PolarHBondContact O-N 3.1Å; K344-L347 PolarHBondContact O-N 3.36Å; V345-L347 VanDerWaalsContact C-N 3.34Å; V345-L347 PolarHBondContact O-N 2.91Å; L347-L349 VanDerWaalsContact C-N 3.32Å; L347-L349 PolarHBondContact O-N 2.91Å; L347-L350 WeakPolarHBondContact O-CB 3.33Å; L347-L350 PolarHBondContact O-N 3.23Å; L347-E351 PolarHBondContact O-N 2.9Å |
| 348 | L | 88.8 | Confident | 88.4 | Confident | 98 Ų | 98 | 105.3 Ų | 105.3 | 51% | 0.513 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.5 | -38.1 | 176.9 | -71.6 | 168.8 | 0 | 0 | 0 | 112.3 | K344 V345 E351 V352 | K344-L348 WeakPolarHBondContact O-CG 3.48Å; K344-L348 PolarHBondContact O-N 3.24Å; K344-L348 VanDerWaalsContact O-N 3.1Å; V345-L348 PolarHBondContact O-N 3.31Å; L348-E351 PolarHBondContact O-N 3.42Å; L348-V352 WeakPolarHBondContact O-CG2 3.46Å; L348-V352 PolarHBondContact O-N 2.98Å |
| 349 | L | 89.7 | Confident | 88.6 | Confident | 89 Ų | 89 | 108.3 Ų | 108.3 | 47% | 0.466 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.6 | -42.6 | 174.4 | -95 | 156.5 | 0 | 0 | 0 | 112.3 | V345 N346 L347 E351 V352 N353 | V345-L349 HydrophobicContact CG1-CD1 4.09Å; V345-L349 PolarHBondContact O-N 3.46Å; N346-L349 PolarHBondContact O-N 3.01Å; L347-L349 VanDerWaalsContact C-N 3.32Å; L347-L349 PolarHBondContact O-N 2.91Å; L349-E351 VanDerWaalsContact C-N 3.33Å; L349-V352 PolarHBondContact O-N 3.25Å; L349-N353 WeakPolarHBondContact O-CB 3.46Å; L349-N353 VanDerWaalsContact O-CG 3.29Å; L349-N353 PolarHBondContact O-N 2.88Å; L349-N353 PolarHBondContact O-ND2 2.95Å |
| 350 | L | 89.3 | Confident | 88.5 | Confident | 119 Ų | 119 | 108.2 Ų | 108.2 | 62% | 0.623 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.8 | -42.9 | 173.9 | -76.5 | 167.7 | 0 | 0 | 0 | 111.5 | N346 L347 N353 H354 | N346-L350 WeakPolarHBondContact O-CG 3.41Å; N346-L350 PolarHBondContact O-N 3.36Å; L347-L350 WeakPolarHBondContact O-CB 3.33Å; L347-L350 PolarHBondContact O-N 3.23Å; L350-N353 PolarHBondContact O-N 2.97Å; L350-H354 PolarHBondContact O-N 3.46Å |
| 351 | E | 87.9 | Confident | 88.5 | Confident | 120 Ų | 120 | 109 Ų | 109 | 56% | 0.561 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.7 | -44.2 | 178.3 | -162.1 | 169.2 | -161 | 0 | 0 | 111.6 | L347 L348 L349 N353 H354 L355 | L347-E351 PolarHBondContact O-N 2.9Å; L348-E351 PolarHBondContact O-N 3.42Å; L349-E351 VanDerWaalsContact C-N 3.33Å; E351-N353 VanDerWaalsContact C-N 3.33Å; E351-N353 PolarHBondContact O-N 3.01Å; E351-H354 WeakPolarHBondContact O-CB 3.42Å; E351-H354 PolarHBondContact O-N 3.45Å; E351-L355 WeakPolarHBondContact O-CG 3.36Å; E351-L355 PolarHBondContact O-N 3.35Å |
| 352 | V | 87.3 | Confident | 88.2 | Confident | 72 Ų | 72 | 105.5 Ų | 105.5 | 44% | 0.436 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.1 | -40.7 | 173.1 | 169.1 | 0 | 0 | 0 | 0 | 111.8 | L348 L349 H354 L355 R356 | L348-V352 WeakPolarHBondContact O-CG2 3.46Å; L348-V352 PolarHBondContact O-N 2.98Å; L349-V352 PolarHBondContact O-N 3.25Å; V352-H354 VanDerWaalsContact C-N 3.35Å; V352-L355 PolarHBondContact O-N 3.29Å; V352-R356 WeakPolarHBondContact O-CG 3.45Å; V352-R356 PolarHBondContact O-N 3.2Å |
| 353 | N | 88.1 | Confident | 87.9 | Confident | 89 Ų | 89 | 104.5 Ų | 104.5 | 48% | 0.476 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66 | -38.2 | 176.4 | -75.7 | -26.5 | 0 | 0 | 0 | 111.9 | L349 L350 E351 R356 W357 | L349-N353 WeakPolarHBondContact O-CB 3.46Å; L349-N353 VanDerWaalsContact O-CG 3.29Å; L349-N353 PolarHBondContact O-N 2.88Å; L349-N353 PolarHBondContact O-ND2 2.95Å; L350-N353 PolarHBondContact O-N 2.97Å; E351-N353 VanDerWaalsContact C-N 3.33Å; E351-N353 PolarHBondContact O-N 3.01Å; N353-R356 PolarHBondContact O-N 3.37Å; N353-W357 PolarHBondContact O-N 3.42Å |
| 354 | H | 88.8 | Confident | 87.5 | Confident | 101 Ų | 101 | 102.6 Ų | 102.6 | 47% | 0.468 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.9 | -47.8 | 174.4 | -173.4 | 61 | 0 | 0 | 0 | 111.5 | L350 E351 V352 R356 W357 E358 | L350-H354 PolarHBondContact O-N 3.46Å; E351-H354 WeakPolarHBondContact O-CB 3.42Å; E351-H354 PolarHBondContact O-N 3.45Å; V352-H354 VanDerWaalsContact C-N 3.35Å; H354-R356 VanDerWaalsContact C-N 3.29Å; H354-R356 PolarHBondContact O-N 2.94Å; H354-W357 WeakPolarHBondContact O-CB 3.47Å; H354-W357 PolarHBondContact O-N 2.84Å; H354-E358 IonicContact NE2-OE1 3.62Å; H354-E358 PolarHBondContact O-N 2.91Å |
| 355 | L | 88.5 | Confident | 87 | Confident | 98 Ų | 98 | 101.3 Ų | 101.3 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.2 | -36.4 | 176 | -69.2 | 170.5 | 0 | 0 | 0 | 112.5 | E351 V352 E358 R359 | E351-L355 WeakPolarHBondContact O-CG 3.36Å; E351-L355 PolarHBondContact O-N 3.35Å; V352-L355 PolarHBondContact O-N 3.29Å; L355-E358 PolarHBondContact O-N 2.98Å; L355-R359 WeakPolarHBondContact O-CB 3.44Å; L355-R359 PolarHBondContact O-N 3.47Å |
| 356 | R | 89 | Confident | 86.4 | Confident | 140 Ų | 140 | 101.3 Ų | 101.3 | 53% | 0.528 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.9 | -43.6 | 172.2 | -79.5 | -178.8 | -178.8 | -149.9 | 2.2 | 111.8 | V352 N353 H354 R359 D360 | V352-R356 WeakPolarHBondContact O-CG 3.45Å; V352-R356 PolarHBondContact O-N 3.2Å; N353-R356 PolarHBondContact O-N 3.37Å; H354-R356 VanDerWaalsContact C-N 3.29Å; H354-R356 PolarHBondContact O-N 2.94Å; R356-R359 WeakPolarHBondContact O-CB 3.33Å; R356-R359 PolarHBondContact O-N 3.22Å; R356-D360 WeakPolarHBondContact O-CB 3.39Å; R356-D360 PolarHBondContact O-N 3.46Å |
| 357 | W | 90.5 | Very high | 85.6 | Confident | 143 Ų | 143 | 99.9 Ų | 99.9 | 54% | 0.542 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63 | -43.7 | 176.6 | 178.2 | 85.4 | 0 | 0 | 0 | 111.8 | N353 H354 R359 D360 K361 | N353-W357 PolarHBondContact O-N 3.42Å; H354-W357 WeakPolarHBondContact O-CB 3.47Å; H354-W357 PolarHBondContact O-N 2.84Å; W357-R359 VanDerWaalsContact C-N 3.34Å; W357-R359 PolarHBondContact O-N 3.07Å; W357-D360 PolarHBondContact O-N 2.88Å; W357-K361 HydrophobicContact CH2-CD 3.5Å; W357-K361 VanDerWaalsContact CH2-CD 3.5Å; W357-K361 HydrophobicContact CZ2-CD 3.8Å; W357-K361 HydrophobicContact CZ3-CD 3.92Å; W357-K361 WeakPolarHBondContact O-CB 3.44Å; W357-K361 PolarHBondContact O-N 3.35Å |
| 358 | E | 85.3 | Confident | 84.7 | Confident | 93 Ų | 93 | 97.6 Ų | 97.6 | 44% | 0.435 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.9 | -44.1 | 175 | -71.9 | -172.2 | 144.7 | 0 | 0 | 111.9 | H354 L355 K361 A362 | H354-E358 IonicContact NE2-OE1 3.62Å; H354-E358 PolarHBondContact O-N 2.91Å; L355-E358 PolarHBondContact O-N 2.98Å; E358-K361 PolarHBondContact O-N 2.89Å; E358-A362 WeakPolarHBondContact O-CB 3.48Å; E358-A362 PolarHBondContact O-N 2.86Å |
| 359 | R | 88.9 | Confident | 83.4 | Confident | 122 Ų | 122 | 96.7 Ų | 96.7 | 46% | 0.46 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.3 | -47.9 | 173.6 | 176.2 | -151.4 | 62.6 | -162.2 | -6.4 | 111.4 | L355 R356 W357 K361 A362 L363 | L355-R359 WeakPolarHBondContact O-CB 3.44Å; L355-R359 PolarHBondContact O-N 3.47Å; R356-R359 WeakPolarHBondContact O-CB 3.33Å; R356-R359 PolarHBondContact O-N 3.22Å; W357-R359 VanDerWaalsContact C-N 3.34Å; W357-R359 PolarHBondContact O-N 3.07Å; R359-K361 VanDerWaalsContact C-N 3.32Å; R359-K361 PolarHBondContact O-N 3.29Å; R359-A362 PolarHBondContact O-N 2.88Å; R359-L363 HydrophobicContact CG-CD1 4.15Å; R359-L363 WeakPolarHBondContact O-CG 3.36Å; R359-L363 PolarHBondContact O-N 3.26Å |
| 360 | D | 87.7 | Confident | 82 | Confident | 76 Ų | 76 | 102 Ų | 102 | 41% | 0.406 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.9 | -39.5 | -178 | -68 | -14.3 | 0 | 0 | 0 | 111.1 | R356 W357 L363 E364 | R356-D360 WeakPolarHBondContact O-CB 3.39Å; R356-D360 PolarHBondContact O-N 3.46Å; W357-D360 PolarHBondContact O-N 2.88Å; D360-L363 PolarHBondContact O-N 3.49Å; D360-E364 WeakPolarHBondContact O-CB 3.41Å; D360-E364 PolarHBondContact O-N 3.43Å |
| 361 | K | 87 | Confident | 80.5 | Confident | 91 Ų | 91 | 103.8 Ų | 103.8 | 40% | 0.396 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.2 | -43.8 | 172.4 | -173.3 | 174 | 177.8 | -174.8 | 0 | 112.2 | W357 E358 R359 L363 E364 E365 | W357-K361 HydrophobicContact CH2-CD 3.5Å; W357-K361 VanDerWaalsContact CH2-CD 3.5Å; W357-K361 HydrophobicContact CZ2-CD 3.8Å; W357-K361 HydrophobicContact CZ3-CD 3.92Å; W357-K361 WeakPolarHBondContact O-CB 3.44Å; W357-K361 PolarHBondContact O-N 3.35Å; E358-K361 PolarHBondContact O-N 2.89Å; R359-K361 VanDerWaalsContact C-N 3.32Å; R359-K361 PolarHBondContact O-N 3.29Å; K361-L363 VanDerWaalsContact C-N 3.32Å; K361-L363 PolarHBondContact O-N 2.87Å; K361-E364 WeakPolarHBondContact O-CB 3.29Å; K361-E364 PolarHBondContact O-N 3.28Å; K361-E365 WeakPolarHBondContact O-CG 3.27Å; K361-E365 PolarHBondContact O-N 3.45Å |
| 362 | A | 80.1 | Confident | 78.9 | Confident | 49 Ų | 49 | 106.5 Ų | 106.5 | 41% | 0.405 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63 | -38 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | E358 R359 E365 V366 | E358-A362 WeakPolarHBondContact O-CB 3.48Å; E358-A362 PolarHBondContact O-N 2.86Å; R359-A362 PolarHBondContact O-N 2.88Å; A362-E365 PolarHBondContact O-N 2.95Å; A362-V366 VanDerWaalsContact O-CG2 3.29Å; A362-V366 WeakPolarHBondContact O-CG2 3.48Å; A362-V366 PolarHBondContact O-N 3.44Å |
| 363 | L | 82 | Confident | 77.1 | Confident | 101 Ų | 101 | 107.5 Ų | 107.5 | 53% | 0.529 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.4 | -38.3 | 173.6 | -72.6 | 170.7 | 0 | 0 | 0 | 112.1 | R359 D360 K361 V366 A367 | R359-L363 HydrophobicContact CG-CD1 4.15Å; R359-L363 WeakPolarHBondContact O-CG 3.36Å; R359-L363 PolarHBondContact O-N 3.26Å; D360-L363 PolarHBondContact O-N 3.49Å; K361-L363 VanDerWaalsContact C-N 3.32Å; K361-L363 PolarHBondContact O-N 2.87Å; L363-V366 PolarHBondContact O-N 3.46Å; L363-A367 WeakPolarHBondContact O-CB 3.35Å; L363-A367 PolarHBondContact O-N 2.9Å |
| 364 | E | 82.1 | Confident | 74.9 | Confident | 135 Ų | 135 | 105.9 Ų | 105.9 | 63% | 0.631 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.3 | -38.9 | 174.7 | -167.2 | 172.7 | -158.3 | 0 | 0 | 111.8 | D360 K361 A367 T368 | D360-E364 WeakPolarHBondContact O-CB 3.41Å; D360-E364 PolarHBondContact O-N 3.43Å; K361-E364 WeakPolarHBondContact O-CB 3.29Å; K361-E364 PolarHBondContact O-N 3.28Å; E364-A367 PolarHBondContact O-N 2.81Å; E364-T368 PolarHBondContact O-N 2.85Å; E364-T368 PolarHBondContact O-OG1 3.21Å |
| 365 | E | 80 | Confident | 72.6 | Confident | 111 Ų | 111 | 108.8 Ų | 108.8 | 52% | 0.519 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.8 | -40.7 | 171.3 | -74.5 | 176.9 | -172.5 | 0 | 0 | 111.9 | K361 A362 T368 C369 | K361-E365 WeakPolarHBondContact O-CG 3.27Å; K361-E365 PolarHBondContact O-N 3.45Å; A362-E365 PolarHBondContact O-N 2.95Å; E365-T368 VanDerWaalsContact CA-OG1 3.27Å; E365-T368 WeakPolarHBondContact CA-OG1 3.46Å; E365-T368 PolarHBondContact O-N 2.89Å; E365-T368 PolarHBondContact O-OG1 3.34Å; E365-T368 VanDerWaalsContact O-OG1 3.07Å; E365-C369 WeakPolarHBondContact O-CB 3.34Å; E365-C369 PolarHBondContact O-N 3.07Å |
| 366 | V | 74.5 | Confident | 70.2 | Confident | 80 Ų | 80 | 111.9 Ų | 111.9 | 49% | 0.485 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.8 | -40.6 | 172.5 | 169.7 | 0 | 0 | 0 | 0 | 111.3 | A362 L363 R370 | A362-V366 VanDerWaalsContact O-CG2 3.29Å; A362-V366 WeakPolarHBondContact O-CG2 3.48Å; A362-V366 PolarHBondContact O-N 3.44Å; L363-V366 PolarHBondContact O-N 3.46Å; V366-R370 PolarHBondContact O-N 3.41Å |
| 367 | A | 72.8 | Confident | 69.3 | Low | 52 Ų | 52 | 110.5 Ų | 110.5 | 43% | 0.43 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -66 | -44 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L363 E364 R370 M371 | L363-A367 WeakPolarHBondContact O-CB 3.35Å; L363-A367 PolarHBondContact O-N 2.9Å; E364-A367 PolarHBondContact O-N 2.81Å; A367-R370 WeakPolarHBondContact O-CB 3.47Å; A367-R370 PolarHBondContact O-N 3.27Å; A367-M371 WeakPolarHBondContact O-CG 3.47Å; A367-M371 PolarHBondContact O-N 3.02Å |
| 368 | T | 70.1 | Confident | 68.2 | Low | 71 Ų | 71 | 108.8 Ų | 108.8 | 44% | 0.436 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -68.1 | -35.2 | 176.3 | 40.6 | 0 | 0 | 0 | 0 | 112.7 | E364 E365 M371 K372 | E364-T368 PolarHBondContact O-N 2.85Å; E364-T368 PolarHBondContact O-OG1 3.21Å; E365-T368 VanDerWaalsContact CA-OG1 3.27Å; E365-T368 WeakPolarHBondContact CA-OG1 3.46Å; E365-T368 PolarHBondContact O-N 2.89Å; E365-T368 PolarHBondContact O-OG1 3.34Å; E365-T368 VanDerWaalsContact O-OG1 3.07Å; T368-M371 PolarHBondContact O-N 3.22Å; T368-K372 PolarHBondContact O-N 2.96Å |
| 369 | C | 61.8 | Low | 67.2 | Low | 79 Ų | 79 | 109.7 Ų | 109.7 | 53% | 0.534 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -61.5 | -42.1 | 168.9 | -86.8 | 0 | 0 | 0 | 0 | 112 | E365 M371 K372 C373 | E365-C369 WeakPolarHBondContact O-CB 3.34Å; E365-C369 PolarHBondContact O-N 3.07Å; C369-M371 VanDerWaalsContact C-N 3.3Å; C369-M371 PolarHBondContact O-N 3.01Å; C369-K372 PolarHBondContact O-N 3.34Å; C369-C373 WeakPolarHBondContact O-CB 3.46Å; C369-C373 PolarHBondContact O-N 3.31Å; C369-C373 PolarHBondContact O-SG 2.89Å; C369-C373 VanDerWaalsContact O-SG 3.34Å |
| 370 | R | 60.3 | Low | 65.9 | Low | 200 Ų | 200 | 108.9 Ų | 108.9 | 76% | 0.755 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -62.3 | -35.9 | 173.8 | -78.5 | -176.5 | 178.1 | -173.8 | 0.4 | 112.8 | V366 A367 G374 | V366-R370 PolarHBondContact O-N 3.41Å; A367-R370 WeakPolarHBondContact O-CB 3.47Å; A367-R370 PolarHBondContact O-N 3.27Å; R370-G374 PolarHBondContact O-N 3.28Å |
| 371 | M | 57.9 | Low | 64.6 | Low | 157 Ų | 157 | 111 Ų | 111 | 77% | 0.773 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -73.1 | -37.3 | 175.6 | -65.2 | -162.2 | 88.9 | 0 | 0 | 112.6 | A367 T368 C369 G374 | A367-M371 WeakPolarHBondContact O-CG 3.47Å; A367-M371 PolarHBondContact O-N 3.02Å; T368-M371 PolarHBondContact O-N 3.22Å; C369-M371 VanDerWaalsContact C-N 3.3Å; C369-M371 PolarHBondContact O-N 3.01Å; M371-G374 PolarHBondContact O-N 3.5Å |
| 372 | K | 53.6 | Low | 63.1 | Low | 176 Ų | 176 | 112.3 Ų | 112.3 | 77% | 0.765 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -72.5 | -26.9 | 177 | -76.8 | -178 | 178.2 | 177.1 | 0 | 113.7 | T368 C369 G374 | T368-K372 PolarHBondContact O-N 2.96Å; C369-K372 PolarHBondContact O-N 3.34Å; K372-G374 VanDerWaalsContact C-N 3.26Å |
| 373 | C | 49.4 | Very low | 61.9 | Low | 94 Ų | 94 | 116.9 Ų | 116.9 | 64% | 0.635 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | 8.3 | 172.9 | -62.6 | 0 | 0 | 0 | 0 | 113.2 | C369 | C369-C373 WeakPolarHBondContact O-CB 3.46Å; C369-C373 PolarHBondContact O-N 3.31Å; C369-C373 PolarHBondContact O-SG 2.89Å; C369-C373 VanDerWaalsContact O-SG 3.34Å |
| 374 | G | 43.2 | Very low | 60.3 | Low | 54 Ų | 54 | 118.1 Ų | 118.1 | 56% | 0.557 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -10.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | R370 M371 K372 | R370-G374 PolarHBondContact O-N 3.28Å; M371-G374 PolarHBondContact O-N 3.5Å; K372-G374 VanDerWaalsContact C-N 3.26Å |
| 375 | D | 40.6 | Very low | 58.5 | Low | 162 Ų | 162 | 116.7 Ų | 116.7 | 87% | 0.866 | 66% | 0.658 | S | S | * | * | trans | -120 | 34.9 | -176.2 | -79.4 | -22.9 | 0 | 0 | 0 | 113.7 | ||||
| 376 | S | 38.1 | Very low | 56.6 | Low | 164 Ų | 164 | 117.2 Ų | 117.2 | 100% | 1.147 | 67% | 0.671 | S | S | * | * | trans | -161.8 | 0 | 163.6 | 52.9 | 0 | 0 | 0 | 0 | 109.8 |
Retrieved 376 of 376 residues in 260 ms
(Link to these results)