| 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 | 37.9 | Very low | 28.1 | Very low | 246 Ų | 246 | 146.5 Ų | 146.5 | 100% | 1.212 | 81% | 0.811 | S | S | * | * | 0 | 120.1 | 0 | -74 | 172.5 | 166.3 | 0 | 0 | 107.3 | S3 | M1-S3 PolarHBondContact O-N 2.81Š| |||
| 2 | I | 30.5 | Very low | 27.6 | Very low | 171 Ų | 171 | 148.8 Ų | 148.8 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | trans | -69.1 | 126.6 | 177.3 | -63.7 | 168.5 | 0 | 0 | 0 | 108.1 | ||||
| 3 | S | 29.9 | Very low | 27.2 | Very low | 114 Ų | 114 | 151.2 Ų | 151.2 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | trans | -147.5 | 100 | 159.2 | 179.9 | 0 | 0 | 0 | 0 | 108.6 | M1 G5 | M1-S3 PolarHBondContact O-N 2.81Å; S3-G5 PolarHBondContact O-N 3.45Å | ||
| 4 | S | 31 | Very low | 27.2 | Very low | 91 Ų | 91 | 149.2 Ų | 149.2 | 64% | 0.636 | 81% | 0.809 | S | S | * | * | trans | -74.1 | 104.5 | 168.2 | 47.8 | 0 | 0 | 0 | 0 | 109.1 | F6 | S4-F6 PolarHBondContact O-N 3.34Š| ||
| 5 | G | 27.9 | Very low | 27 | Very low | 70 Ų | 70 | 149.8 Ų | 149.8 | 72% | 0.722 | 81% | 0.812 | S | S | * | * | trans | -82.2 | 80.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | S3 F7 | S3-G5 PolarHBondContact O-N 3.45Å; G5-F7 PolarHBondContact O-N 2.98Å | ||
| 6 | F | 28.1 | Very low | 26.8 | Very low | 189 Ų | 189 | 144.7 Ų | 144.7 | 83% | 0.829 | 81% | 0.805 | S | S | * | * | trans | -72.9 | 114.9 | 160.4 | -89.8 | -90.3 | 0 | 0 | 0 | 108.4 | S4 S8 | S4-F6 PolarHBondContact O-N 3.34Å; F6-S8 PolarHBondContact O-N 2.95Å; F6-S8 VanDerWaalsContact O-N 3.15Å | ||
| 7 | F | 28.1 | Very low | 26.7 | Very low | 211 Ų | 211 | 144.1 Ų | 144.1 | 93% | 0.925 | 81% | 0.806 | S | S | * | * | trans | -71.2 | 105.3 | 166.9 | -105.1 | -91 | 0 | 0 | 0 | 109 | G5 I9 | G5-F7 PolarHBondContact O-N 2.98Å; F7-I9 PolarHBondContact O-N 3.45Å | ||
| 8 | S | 22.9 | Very low | 26.8 | Very low | 103 Ų | 103 | 144.8 Ų | 144.8 | 72% | 0.72 | 81% | 0.807 | S | S | * | * | trans | -60.1 | 112.7 | 165.1 | -76.2 | 0 | 0 | 0 | 0 | 111 | F6 | F6-S8 PolarHBondContact O-N 2.95Å; F6-S8 VanDerWaalsContact O-N 3.15Å | ||
| 9 | I | 28.8 | Very low | 26.7 | Very low | 173 Ų | 173 | 147.4 Ų | 147.4 | 89% | 0.887 | 81% | 0.812 | S | S | * | * | trans | -111.8 | 96.5 | 139.9 | -66.8 | 173.2 | 0 | 0 | 0 | 104.6 | F7 | F7-I9 PolarHBondContact O-N 3.45Š| ||
| 10 | S | 20.7 | Very low | 26.8 | Very low | 82 Ų | 82 | 149.1 Ų | 149.1 | 57% | 0.573 | 81% | 0.811 | S | S | * | * | trans | -97.9 | 148.8 | 178.8 | -167.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 11 | H | 23 | Very low | 26.8 | Very low | 161 Ų | 161 | 146.8 Ų | 146.8 | 75% | 0.745 | 81% | 0.806 | S | S | * | * | trans | 72.4 | 129.3 | 172.4 | -66.5 | -54.4 | 0 | 0 | 0 | 116.7 | ||||
| 12 | K | 22.2 | Very low | 26.1 | Very low | 174 Ų | 174 | 142.8 Ų | 142.8 | 76% | 0.757 | 79% | 0.788 | S | S | * | * | cis | -159 | 131.1 | 20.1 | -126 | 166.5 | -176.3 | 177.7 | 0 | 108.5 | T14 | K12-T14 PolarHBondContact O-N 3.49Š| ||
| 13 | M | 22.4 | Very low | 25.9 | Very low | 180 Ų | 180 | 143.1 Ų | 143.1 | 89% | 0.887 | 78% | 0.784 | S | S | * | * | trans | -58.1 | 118 | 154.7 | -66.9 | -98.3 | -159.9 | 0 | 0 | 108.4 | ||||
| 14 | T | 27.2 | Very low | 25.8 | Very low | 124 Ų | 124 | 145.4 Ų | 145.4 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | trans | -128.2 | 102.8 | 151 | 50 | 0 | 0 | 0 | 0 | 107.3 | K12 | K12-T14 PolarHBondContact O-N 3.49Š| ||
| 15 | N | 24.8 | Very low | 25.7 | Very low | 158 Ų | 158 | 146.6 Ų | 146.6 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | trans | -58.6 | 136.5 | 166.2 | -79.7 | -23.4 | 0 | 0 | 0 | 109.9 | ||||
| 16 | G | 23.6 | Very low | 25.7 | Very low | 68 Ų | 68 | 150.4 Ų | 150.4 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | trans | 111.6 | 98.2 | 163.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 17 | T | 25.6 | Very low | 25.7 | Very low | 134 Ų | 134 | 148 Ų | 148 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | 178.9 | 139.1 | 112.2 | -61 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 18 | L | 27.3 | Very low | 25.7 | Very low | 157 Ų | 157 | 144.5 Ų | 144.5 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | 93.5 | 46 | 171.8 | -75.1 | 135.4 | 0 | 0 | 0 | 118.9 | ||||
| 19 | E | 24.7 | Very low | 26 | Very low | 195 Ų | 195 | 146.9 Ų | 146.9 | 91% | 0.911 | 78% | 0.777 | S | S | * | * | -98 | 105.2 | 122.2 | -80.1 | -165.8 | 162.8 | 0 | 0 | 108.2 | |||||
| 20 | K | 29.8 | Very low | 26.1 | Very low | 181 Ų | 181 | 146.5 Ų | 146.5 | 79% | 0.787 | 77% | 0.772 | S | S | * | * | trans | -136.7 | 90.6 | 157.3 | -85.3 | -173.1 | -179 | 168.2 | 0 | 108.8 | ||||
| 21 | S | 25.8 | Very low | 26.5 | Very low | 100 Ų | 100 | 149.5 Ų | 149.5 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | trans | -30.5 | 137.6 | 142.9 | 51 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 22 | L | 24 | Very low | 26.9 | Very low | 162 Ų | 162 | 151 Ų | 151 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | trans | 29.1 | 95.6 | 142.7 | -93.2 | 147.7 | 0 | 0 | 0 | 115.7 | ||||
| 23 | K | 25.9 | Very low | 27.3 | Very low | 179 Ų | 179 | 151.3 Ų | 151.3 | 78% | 0.778 | 79% | 0.793 | S | S | * | * | trans | -123.5 | 111.2 | 148.2 | -75.3 | -166.7 | 176.4 | -168.2 | 0 | 108.8 | ||||
| 24 | Q | 27.3 | Very low | 27.9 | Very low | 162 Ų | 162 | 149.7 Ų | 149.7 | 76% | 0.757 | 79% | 0.788 | S | S | * | * | trans | -45.7 | 146 | 161.6 | -69.7 | 168.7 | -28.6 | 0 | 0 | 109.9 | I26 | Q24-I26 PolarHBondContact O-N 3.39Å; Q24-I26 VanDerWaalsContact O-N 3.15Å | ||
| 25 | P | 30.1 | Very low | 28.5 | Very low | 115 Ų | 115 | 153.6 Ų | 153.6 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | trans | -62.1 | 119.6 | -178.3 | 25.3 | -32.2 | 0 | 0 | 0 | 109.4 | I27 | P25-I27 VanDerWaalsContact C-N 3.32Å; P25-I27 PolarHBondContact O-N 2.65Å | ||
| 26 | I | 27 | Very low | 29.3 | Very low | 150 Ų | 150 | 151.5 Ų | 151.5 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -63.9 | 101.7 | 163.4 | -64.4 | 167.9 | 0 | 0 | 0 | 105.1 | Q24 N28 | Q24-I26 PolarHBondContact O-N 3.39Å; Q24-I26 VanDerWaalsContact O-N 3.15Å; I26-N28 PolarHBondContact O-N 3.11Å | ||
| 27 | I | 29.3 | Very low | 30.2 | Very low | 138 Ų | 138 | 154.8 Ų | 154.8 | 71% | 0.708 | 79% | 0.789 | S | S | * | * | trans | -60.8 | 117.9 | 164.8 | -65.8 | 168 | 0 | 0 | 0 | 105.4 | P25 I29 | P25-I27 VanDerWaalsContact C-N 3.32Å; P25-I27 PolarHBondContact O-N 2.65Å; I27-I29 PolarHBondContact O-N 3.24Å | ||
| 28 | N | 26.9 | Very low | 31.3 | Very low | 139 Ų | 139 | 155.3 Ų | 155.3 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | trans | -57.8 | 105.3 | 166.6 | -99.7 | -8.4 | 0 | 0 | 0 | 107.8 | I26 E30 | I26-N28 PolarHBondContact O-N 3.11Å; N28-E30 VanDerWaalsContact C-N 3.26Å; N28-E30 PolarHBondContact O-N 2.92Å | ||
| 29 | I | 30.4 | Very low | 31.9 | Very low | 152 Ų | 152 | 149.8 Ų | 149.8 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | trans | -83.6 | 83.1 | 164.2 | -59.3 | 169.7 | 0 | 0 | 0 | 104.9 | I27 | I27-I29 PolarHBondContact O-N 3.24Š| ||
| 30 | E | 29.3 | Very low | 33.3 | Very low | 166 Ų | 166 | 144.8 Ų | 144.8 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | trans | -76.7 | 128.4 | 156.3 | -90.3 | -177.7 | 165.8 | 0 | 0 | 107.9 | N28 H32 | N28-E30 VanDerWaalsContact C-N 3.26Å; N28-E30 PolarHBondContact O-N 2.92Å; E30-H32 PolarHBondContact O-N 3.46Å | ||
| 31 | N | 30.6 | Very low | 34.4 | Very low | 145 Ų | 145 | 141.8 Ų | 141.8 | 78% | 0.775 | 74% | 0.737 | S | S | * | * | trans | -45.2 | 111.3 | -175.2 | -62.1 | -41.1 | 0 | 0 | 0 | 113.6 | ||||
| 32 | H | 30.2 | Very low | 36.1 | Very low | 192 Ų | 192 | 142.2 Ų | 142.2 | 89% | 0.889 | 73% | 0.731 | S | S | * | * | trans | -126.5 | 103.7 | 150.3 | -83.5 | -56.9 | 0 | 0 | 0 | 109.3 | E30 | E30-H32 PolarHBondContact O-N 3.46Š| ||
| 33 | E | 31.6 | Very low | 37.8 | Very low | 180 Ų | 180 | 140.2 Ų | 140.2 | 84% | 0.841 | 72% | 0.718 | S | S | * | * | trans | -56.6 | 131.2 | 173.5 | -64.7 | 174.6 | 148.9 | 0 | 0 | 111.4 | ||||
| 34 | N | 35.3 | Very low | 39.6 | Very low | 147 Ų | 147 | 136.1 Ų | 136.1 | 79% | 0.786 | 70% | 0.704 | S | S | * | * | S | Bend | trans | 47.7 | 95.1 | 148 | -62.2 | -20.3 | 0 | 0 | 0 | 118.5 | ||
| 35 | K | 40.2 | Very low | 41.3 | Very low | 206 Ų | 206 | 130.1 Ų | 130.1 | 90% | 0.896 | 69% | 0.685 | S | S | * | * | trans | -170.8 | 16.7 | 144.1 | -106.1 | 161.1 | -165.3 | -177.1 | 0 | 117.8 | ||||
| 36 | T | 39.9 | Very low | 43 | Very low | 114 Ų | 114 | 133.6 Ų | 133.6 | 70% | 0.699 | 68% | 0.683 | S | S | * | * | trans | -111.2 | 7.7 | -169.2 | 42 | 0 | 0 | 0 | 0 | 117.7 | I38 G39 | T36-I38 VanDerWaalsContact C-N 3.26Å; T36-I38 PolarHBondContact O-N 3.03Å; T36-G39 PolarHBondContact O-N 3.44Å | ||
| 37 | D | 44.1 | Very low | 44.4 | Very low | 137 Ų | 137 | 134.4 Ų | 134.4 | 73% | 0.733 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -70.5 | -19.3 | 179.4 | -71 | -21.7 | 0 | 0 | 0 | 114.1 | ||
| 38 | I | 47.4 | Very low | 46.1 | Very low | 145 Ų | 145 | 131.2 Ų | 131.2 | 74% | 0.744 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -76.7 | -29.7 | 179.3 | -57.7 | 172.1 | 0 | 0 | 0 | 111.3 | T36 | T36-I38 VanDerWaalsContact C-N 3.26Å; T36-I38 PolarHBondContact O-N 3.03Å |
| 39 | G | 41 | Very low | 47.9 | Very low | 41 Ų | 41 | 132.4 Ų | 132.4 | 42% | 0.423 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -76.3 | -29.9 | -175 | 0 | 0 | 0 | 0 | 0 | 114.8 | T36 N41 D42 E43 | T36-G39 PolarHBondContact O-N 3.44Å; G39-N41 PolarHBondContact O-N 3.33Å; G39-D42 PolarHBondContact O-N 3.1Å; G39-E43 PolarHBondContact O-N 3.15Å |
| 40 | I | 52.8 | Low | 49.4 | Very low | 90 Ų | 90 | 130.1 Ų | 130.1 | 46% | 0.462 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -69.2 | -37.7 | -174.7 | -61.5 | 171.4 | 0 | 0 | 0 | 111.1 | E43 I44 | I40-E43 PolarHBondContact O-N 3.44Å; I40-I44 HydrophobicContact CG2-CD1 3.89Å; I40-I44 HydrophobicContact CG2-CG1 4.49Å; I40-I44 VanDerWaalsContact O-CG1 3.31Å; I40-I44 WeakPolarHBondContact O-CG1 3.39Å; I40-I44 PolarHBondContact O-N 3.43Å |
| 41 | N | 52.7 | Low | 50.5 | Low | 117 Ų | 117 | 127.7 Ų | 127.7 | 63% | 0.626 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -69.1 | -35.5 | -179.9 | -78 | -29.3 | 0 | 0 | 0 | 112.9 | G39 G45 | G39-N41 PolarHBondContact O-N 3.33Å; N41-G45 PolarHBondContact O-N 2.87Å |
| 42 | D | 62.4 | Low | 51.7 | Low | 109 Ų | 109 | 125.4 Ų | 125.4 | 58% | 0.583 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -68.7 | -36.6 | 175.4 | -87.3 | -9 | 0 | 0 | 0 | 112 | G39 G45 R46 | G39-D42 PolarHBondContact O-N 3.1Å; D42-G45 PolarHBondContact O-N 3.49Å; D42-R46 WeakPolarHBondContact O-CG 3.41Å; D42-R46 PolarHBondContact O-N 3.27Å |
| 43 | E | 58.8 | Low | 53 | Low | 121 Ų | 121 | 121.3 Ų | 121.3 | 57% | 0.565 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66.1 | -46.3 | 174.4 | -74.2 | -170.8 | 170 | 0 | 0 | 111.8 | G39 I40 G45 R46 W47 | G39-E43 PolarHBondContact O-N 3.15Å; I40-E43 PolarHBondContact O-N 3.44Å; E43-G45 VanDerWaalsContact C-N 3.29Å; E43-G45 PolarHBondContact O-N 3.34Å; E43-R46 PolarHBondContact O-N 2.95Å; E43-R46 VanDerWaalsContact O-N 3.13Å; E43-W47 PolarHBondContact O-N 3.34Å |
| 44 | I | 65.6 | Low | 53.7 | Low | 93 Ų | 93 | 117 Ų | 117 | 48% | 0.477 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -59 | -42.6 | 176.6 | -66.2 | 166.2 | 0 | 0 | 0 | 110.5 | I40 R46 W47 T48 | I40-I44 HydrophobicContact CG2-CD1 3.89Å; I40-I44 HydrophobicContact CG2-CG1 4.49Å; I40-I44 VanDerWaalsContact O-CG1 3.31Å; I40-I44 WeakPolarHBondContact O-CG1 3.39Å; I40-I44 PolarHBondContact O-N 3.43Å; I44-R46 PolarHBondContact O-N 3.21Å; I44-W47 PolarHBondContact O-N 2.92Å; I44-T48 WeakPolarHBondContact O-CB 3.43Å; I44-T48 PolarHBondContact O-N 2.87Å; I44-T48 PolarHBondContact O-OG1 3.35Å |
| 45 | G | 62.9 | Low | 54.3 | Low | 35 Ų | 35 | 112.8 Ų | 112.8 | 36% | 0.361 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -60.5 | -41.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | N41 D42 E43 K49 | N41-G45 PolarHBondContact O-N 2.87Å; D42-G45 PolarHBondContact O-N 3.49Å; E43-G45 VanDerWaalsContact C-N 3.29Å; E43-G45 PolarHBondContact O-N 3.34Å; G45-K49 PolarHBondContact O-N 2.9Å |
| 46 | R | 64.8 | Low | 54.6 | Low | 189 Ų | 189 | 107.6 Ų | 107.6 | 71% | 0.713 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.7 | -46.3 | 175.9 | -74.1 | -178.2 | -163.8 | -144.5 | 5.3 | 112.2 | D42 E43 I44 T48 K49 L50 | D42-R46 WeakPolarHBondContact O-CG 3.41Å; D42-R46 PolarHBondContact O-N 3.27Å; E43-R46 PolarHBondContact O-N 2.95Å; E43-R46 VanDerWaalsContact O-N 3.13Å; I44-R46 PolarHBondContact O-N 3.21Å; R46-T48 VanDerWaalsContact C-N 3.3Å; R46-T48 PolarHBondContact O-N 3.45Å; R46-K49 PolarHBondContact O-N 2.9Å; R46-L50 PolarHBondContact O-N 3.28Å |
| 47 | W | 56 | Low | 54.8 | Low | 167 Ų | 167 | 108.3 Ų | 108.3 | 63% | 0.633 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -60.5 | -40.5 | 178.5 | -75.8 | 114 | 0 | 0 | 0 | 111.9 | E43 I44 L50 L51 | E43-W47 PolarHBondContact O-N 3.34Å; I44-W47 PolarHBondContact O-N 2.92Å; W47-L50 PolarHBondContact O-N 3.4Å; W47-L51 WeakPolarHBondContact O-CB 3.37Å; W47-L51 PolarHBondContact O-N 3.48Å |
| 48 | T | 64.7 | Low | 54.9 | Low | 70 Ų | 70 | 106.1 Ų | 106.1 | 43% | 0.429 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.1 | -41.1 | 179.1 | -46.5 | 0 | 0 | 0 | 0 | 112.1 | I44 R46 L51 N52 | I44-T48 WeakPolarHBondContact O-CB 3.43Å; I44-T48 PolarHBondContact O-N 2.87Å; I44-T48 PolarHBondContact O-OG1 3.35Å; R46-T48 VanDerWaalsContact C-N 3.3Å; R46-T48 PolarHBondContact O-N 3.45Å; T48-L51 PolarHBondContact O-N 3.42Å; T48-N52 PolarHBondContact O-N 2.83Å |
| 49 | K | 64.9 | Low | 54.7 | Low | 165 Ų | 165 | 105.3 Ų | 105.3 | 72% | 0.717 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.9 | -39.8 | 173.7 | -78.2 | 179.8 | -179 | 174 | 0 | 112.1 | G45 R46 N52 H53 | G45-K49 PolarHBondContact O-N 2.9Å; R46-K49 PolarHBondContact O-N 2.9Å; K49-N52 PolarHBondContact O-N 2.92Å; K49-H53 WeakPolarHBondContact O-CB 3.34Å; K49-H53 PolarHBondContact O-N 3.21Å |
| 50 | L | 62.3 | Low | 54.5 | Low | 103 Ų | 103 | 113.2 Ų | 113.2 | 54% | 0.539 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65 | -42.7 | 178.4 | -145.3 | 105.7 | 0 | 0 | 0 | 111.4 | R46 W47 H53 N54 | R46-L50 PolarHBondContact O-N 3.28Å; W47-L50 PolarHBondContact O-N 3.4Å; L50-H53 PolarHBondContact O-N 2.92Å; L50-N54 WeakPolarHBondContact O-CB 3.42Å; L50-N54 PolarHBondContact O-N 3.05Å; L50-N54 PolarHBondContact O-ND2 3.24Å |
| 51 | L | 53.3 | Low | 53.9 | Low | 115 Ų | 115 | 111.2 Ų | 111.2 | 60% | 0.602 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.2 | -49.5 | 174.6 | -110.8 | 140.5 | 0 | 0 | 0 | 111.6 | W47 T48 H53 N54 V55 | W47-L51 WeakPolarHBondContact O-CB 3.37Å; W47-L51 PolarHBondContact O-N 3.48Å; T48-L51 PolarHBondContact O-N 3.42Å; L51-H53 PolarHBondContact O-N 3.44Å; L51-N54 PolarHBondContact O-N 3.48Å; L51-V55 WeakPolarHBondContact O-CG2 3.5Å; L51-V55 PolarHBondContact O-N 3.08Å |
| 52 | N | 55.9 | Low | 53.2 | Low | 97 Ų | 97 | 108.3 Ų | 108.3 | 52% | 0.519 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.4 | -36.8 | 179.5 | -78.2 | -26.2 | 0 | 0 | 0 | 113 | T48 K49 V55 N56 | T48-N52 PolarHBondContact O-N 2.83Å; K49-N52 PolarHBondContact O-N 2.92Å; N52-V55 PolarHBondContact O-N 2.68Å; N52-N56 PolarHBondContact O-N 2.81Å |
| 53 | H | 55.8 | Low | 51.8 | Low | 106 Ų | 106 | 109.8 Ų | 109.8 | 49% | 0.491 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.5 | -40.6 | 174.5 | -172.7 | 77.2 | 0 | 0 | 0 | 111.8 | K49 L50 L51 N56 K57 | K49-H53 WeakPolarHBondContact O-CB 3.34Å; K49-H53 PolarHBondContact O-N 3.21Å; L50-H53 PolarHBondContact O-N 2.92Å; L51-H53 PolarHBondContact O-N 3.44Å; H53-N56 PolarHBondContact O-N 3.1Å; H53-K57 WeakPolarHBondContact NE2-CE 3.33Å; H53-K57 PolarHBondContact NE2-NZ 3.43Å; H53-K57 PolarHBondContact O-N 2.77Å |
| 54 | N | 48.3 | Very low | 50.6 | Low | 91 Ų | 91 | 107.8 Ų | 107.8 | 49% | 0.487 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.5 | -42 | 176.5 | -78.7 | -23.5 | 0 | 0 | 0 | 112.2 | L50 L51 N56 K57 M58 | L50-N54 WeakPolarHBondContact O-CB 3.42Å; L50-N54 PolarHBondContact O-N 3.05Å; L50-N54 PolarHBondContact O-ND2 3.24Å; L51-N54 PolarHBondContact O-N 3.48Å; N54-N56 PolarHBondContact O-N 3.36Å; N54-K57 PolarHBondContact O-N 3.21Å; N54-M58 WeakPolarHBondContact O-CB 3.45Å; N54-M58 PolarHBondContact O-N 3.5Å |
| 55 | V | 47.9 | Very low | 49.2 | Very low | 57 Ų | 57 | 106.2 Ų | 106.2 | 35% | 0.345 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 176.2 | 173.9 | 0 | 0 | 0 | 0 | 111.4 | L51 N52 M58 K59 | L51-V55 WeakPolarHBondContact O-CG2 3.5Å; L51-V55 PolarHBondContact O-N 3.08Å; N52-V55 PolarHBondContact O-N 2.68Å; V55-M58 WeakPolarHBondContact O-CB 3.42Å; V55-M58 PolarHBondContact O-N 3.3Å; V55-K59 PolarHBondContact O-N 3.26Å |
| 56 | N | 44.4 | Very low | 47.8 | Very low | 98 Ų | 98 | 112.6 Ų | 112.6 | 52% | 0.524 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.6 | -33.6 | 177.2 | -79.9 | -19.5 | 0 | 0 | 0 | 113.3 | N52 H53 N54 R60 | N52-N56 PolarHBondContact O-N 2.81Å; H53-N56 PolarHBondContact O-N 3.1Å; N54-N56 PolarHBondContact O-N 3.36Å; N56-R60 PolarHBondContact O-N 2.92Å |
| 57 | K | 44.9 | Very low | 46.2 | Very low | 128 Ų | 128 | 109.5 Ų | 109.5 | 56% | 0.557 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.4 | -40.3 | 170 | -85.9 | -176.7 | 170.3 | 168.8 | 0 | 111.8 | H53 N54 R60 S61 | H53-K57 WeakPolarHBondContact NE2-CE 3.33Å; H53-K57 PolarHBondContact NE2-NZ 3.43Å; H53-K57 PolarHBondContact O-N 2.77Å; N54-K57 PolarHBondContact O-N 3.21Å; K57-R60 PolarHBondContact O-N 2.96Å; K57-S61 PolarHBondContact O-N 2.87Å |
| 58 | M | 46.1 | Very low | 45.3 | Very low | 91 Ų | 91 | 105.6 Ų | 105.6 | 45% | 0.448 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.3 | -49 | 178.6 | -158.4 | 163.8 | 75.1 | 0 | 0 | 111.2 | N54 V55 R60 S61 E62 | N54-M58 WeakPolarHBondContact O-CB 3.45Å; N54-M58 PolarHBondContact O-N 3.5Å; V55-M58 WeakPolarHBondContact O-CB 3.42Å; V55-M58 PolarHBondContact O-N 3.3Å; M58-R60 VanDerWaalsContact C-N 3.31Å; M58-R60 PolarHBondContact O-N 3.41Å; M58-S61 PolarHBondContact O-N 2.88Å; M58-S61 PolarHBondContact O-OG 2.87Å; M58-E62 WeakPolarHBondContact O-CG 3.45Å; M58-E62 PolarHBondContact O-N 3.38Å |
| 59 | K | 43 | Very low | 43.9 | Very low | 128 Ų | 128 | 106.2 Ų | 106.2 | 56% | 0.557 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -59.1 | -36 | 175.5 | -72.7 | -173.4 | 176.5 | -176.5 | 0 | 113.9 | V55 | V55-K59 PolarHBondContact O-N 3.26Å |
| 60 | R | 36.4 | Very low | 42.7 | Very low | 208 Ų | 208 | 107.6 Ų | 107.6 | 79% | 0.785 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -70.5 | -33.6 | 174.5 | -81.7 | -177 | 166 | 143.7 | -3 | 112.7 | N56 K57 M58 | N56-R60 PolarHBondContact O-N 2.92Å; K57-R60 PolarHBondContact O-N 2.96Å; M58-R60 VanDerWaalsContact C-N 3.31Å; M58-R60 PolarHBondContact O-N 3.41Å |
| 61 | S | 41.8 | Very low | 41.5 | Very low | 48 Ų | 48 | 106.8 Ų | 106.8 | 34% | 0.336 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -75.3 | -28.6 | 176.7 | 71.1 | 0 | 0 | 0 | 0 | 113.3 | K57 M58 S64 T65 | K57-S61 PolarHBondContact O-N 2.87Å; M58-S61 PolarHBondContact O-N 2.88Å; M58-S61 PolarHBondContact O-OG 2.87Å; S61-S64 PolarHBondContact O-N 2.85Å; S61-T65 WeakPolarHBondContact O-CB 3.47Å; S61-T65 WeakPolarHBondContact O-CG2 3.33Å; S61-T65 PolarHBondContact O-N 2.7Å; S61-T65 PolarHBondContact O-OG1 3.49Å |
| 62 | E | 37.2 | Very low | 40.9 | Very low | 56 Ų | 56 | 103.8 Ų | 103.8 | 26% | 0.262 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -60.2 | -48.7 | 174.3 | -74.7 | 168.8 | 180 | 0 | 0 | 111.1 | M58 S64 T65 H66 | M58-E62 WeakPolarHBondContact O-CG 3.45Å; M58-E62 PolarHBondContact O-N 3.38Å; E62-S64 VanDerWaalsContact C-N 3.28Å; E62-S64 PolarHBondContact O-N 3.38Å; E62-T65 PolarHBondContact O-OG1 2.93Å; E62-H66 PolarHBondContact O-CD2 2.93Å |
| 63 | N | 33.8 | Very low | 40.4 | Very low | 139 Ų | 139 | 101.5 Ų | 101.5 | 74% | 0.743 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -69.3 | -23.7 | 178.5 | -77.5 | 15.8 | 0 | 0 | 0 | 113.7 | ||
| 64 | S | 32.6 | Very low | 40.1 | Very low | 79 Ų | 79 | 100 Ų | 100 | 55% | 0.552 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -84.9 | -34.8 | -179 | 170.8 | 0 | 0 | 0 | 0 | 112.9 | S61 E62 H66 V67 | S61-S64 PolarHBondContact O-N 2.85Å; E62-S64 VanDerWaalsContact C-N 3.28Å; E62-S64 PolarHBondContact O-N 3.38Å; S64-H66 PolarHBondContact O-N 3.32Å; S64-V67 PolarHBondContact O-N 3.09Å |
| 65 | T | 36.4 | Very low | 39.9 | Very low | 60 Ų | 60 | 100.4 Ų | 100.4 | 37% | 0.368 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -80 | -18.5 | -171.8 | 44.2 | 0 | 0 | 0 | 0 | 114.2 | S61 E62 V67 | S61-T65 WeakPolarHBondContact O-CB 3.47Å; S61-T65 WeakPolarHBondContact O-CG2 3.33Å; S61-T65 PolarHBondContact O-N 2.7Å; S61-T65 PolarHBondContact O-OG1 3.49Å; E62-T65 PolarHBondContact O-OG1 2.93Å; T65-V67 PolarHBondContact O-N 3.31Å |
| 66 | H | 33.5 | Very low | 40.3 | Very low | 169 Ų | 169 | 100.4 Ų | 100.4 | 78% | 0.782 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -11.3 | 173.2 | -74 | -60.4 | 0 | 0 | 0 | 114.4 | E62 S64 | E62-H66 PolarHBondContact O-CD2 2.93Å; S64-H66 PolarHBondContact O-N 3.32Å |
| 67 | V | 32.1 | Very low | 40.6 | Very low | 125 Ų | 125 | 99.1 Ų | 99.1 | 76% | 0.758 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.6 | -4.3 | -173.4 | -169.7 | 0 | 0 | 0 | 0 | 114.1 | S64 T65 G69 | S64-V67 PolarHBondContact O-N 3.09Å; T65-V67 PolarHBondContact O-N 3.31Å; V67-G69 PolarHBondContact O-N 3.09Å |
| 68 | T | 35.1 | Very low | 41.1 | Very low | 85 Ų | 85 | 99.3 Ų | 99.3 | 52% | 0.521 | 53% | 0.529 | S | S | . | . | trans | -94.2 | 98.6 | 173.1 | 59.2 | 0 | 0 | 0 | 0 | 110.2 | K70 N71 | T68-K70 PolarHBondContact O-N 2.92Å; T68-N71 PolarHBondContact O-N 3.34Å | ||
| 69 | G | 36.3 | Very low | 41.8 | Very low | 83 Ų | 83 | 101.3 Ų | 101.3 | 86% | 0.856 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 22.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | V67 | V67-G69 PolarHBondContact O-N 3.09Š|
| 70 | K | 38.9 | Very low | 42.9 | Very low | 194 Ų | 194 | 101.9 Ų | 101.9 | 84% | 0.843 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.3 | -5.8 | 175.1 | -69 | -174.1 | 179 | 179.3 | 0 | 114.4 | T68 S72 | T68-K70 PolarHBondContact O-N 2.92Å; K70-S72 VanDerWaalsContact C-N 3.3Å; K70-S72 PolarHBondContact O-N 3.45Å |
| 71 | N | 37.8 | Very low | 44.4 | Very low | 85 Ų | 85 | 95.8 Ų | 95.8 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | trans | -93.9 | 55.2 | 171.6 | -68.9 | -17.8 | 0 | 0 | 0 | 110.8 | T68 C73 | T68-N71 PolarHBondContact O-N 3.34Å; N71-C73 PolarHBondContact O-N 3.28Å | ||
| 72 | S | 41.1 | Very low | 45.3 | Very low | 52 Ų | 52 | 96.7 Ų | 96.7 | 36% | 0.364 | 51% | 0.514 | S | S | . | . | trans | -69 | 99.3 | 170 | 52.9 | 0 | 0 | 0 | 0 | 108.1 | K70 T76 | K70-S72 VanDerWaalsContact C-N 3.3Å; K70-S72 PolarHBondContact O-N 3.45Å; S72-T76 WeakPolarHBondContact CA-OG1 3.35Å; S72-T76 WeakPolarHBondContact CB-OG1 3.46Å | ||
| 73 | C | 44.5 | Very low | 46.8 | Very low | 49 Ų | 49 | 100.9 Ų | 100.9 | 33% | 0.331 | 53% | 0.532 | S | S | . | . | trans | -55 | 151 | 168.5 | 55.4 | 0 | 0 | 0 | 0 | 109.3 | N71 E75 T76 D77 | N71-C73 PolarHBondContact O-N 3.28Å; C73-E75 PolarHBondContact O-N 3.1Å; C73-T76 PolarHBondContact N-OG1 3.32Å; C73-T76 VanDerWaalsContact N-OG1 3.12Å; C73-T76 WeakPolarHBondContact O-CA 3.35Å; C73-T76 WeakPolarHBondContact O-CB 3.38Å; C73-T76 PolarHBondContact O-N 3.3Å; C73-T76 PolarHBondContact O-OG1 3.42Å; C73-D77 PolarHBondContact O-N 2.82Å | ||
| 74 | I | 49.9 | Very low | 48.5 | Very low | 76 Ų | 76 | 101.4 Ų | 101.4 | 39% | 0.39 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -50.4 | -32 | 175.2 | -64.8 | 152.9 | 0 | 0 | 0 | 111.2 | T76 D77 F78 L363 | I74-T76 VanDerWaalsContact C-N 3.29Å; I74-T76 PolarHBondContact O-N 3.41Å; I74-D77 PolarHBondContact O-N 3.3Å; I74-F78 WeakPolarHBondContact O-CB 3.33Å; I74-F78 PolarHBondContact O-N 3.21Å; I74-L363 HydrophobicContact CD1-CD1 3.67Å |
| 75 | E | 43.5 | Very low | 50.1 | Low | 99 Ų | 99 | 104.8 Ų | 104.8 | 46% | 0.463 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.1 | -39.4 | 172.9 | -68.7 | -172.3 | -172.9 | 0 | 0 | 112.5 | C73 K79 | C73-E75 PolarHBondContact O-N 3.1Å; E75-K79 WeakPolarHBondContact O-CB 3.45Å; E75-K79 WeakPolarHBondContact O-CD 3.48Å; E75-K79 WeakPolarHBondContact O-CG 3.37Å; E75-K79 PolarHBondContact O-N 2.96Å |
| 76 | T | 56.6 | Low | 51.7 | Low | 57 Ų | 57 | 109.4 Ų | 109.4 | 35% | 0.35 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -70.3 | -37.9 | 174.6 | 50.8 | 0 | 0 | 0 | 0 | 113.2 | S72 C73 I74 R80 | S72-T76 WeakPolarHBondContact CA-OG1 3.35Å; S72-T76 WeakPolarHBondContact CB-OG1 3.46Å; C73-T76 PolarHBondContact N-OG1 3.32Å; C73-T76 VanDerWaalsContact N-OG1 3.12Å; C73-T76 WeakPolarHBondContact O-CA 3.35Å; C73-T76 WeakPolarHBondContact O-CB 3.38Å; C73-T76 PolarHBondContact O-N 3.3Å; C73-T76 PolarHBondContact O-OG1 3.42Å; I74-T76 VanDerWaalsContact C-N 3.29Å; I74-T76 PolarHBondContact O-N 3.41Å; T76-R80 WeakPolarHBondContact O-CB 3.48Å; T76-R80 PolarHBondContact O-N 2.99Å |
| 77 | D | 52.1 | Low | 53.6 | Low | 70 Ų | 70 | 105.2 Ų | 105.2 | 37% | 0.374 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -72.5 | -41.6 | 176.9 | -74.9 | -25.2 | 0 | 0 | 0 | 111.9 | C73 I74 R80 E81 | C73-D77 PolarHBondContact O-N 2.82Å; I74-D77 PolarHBondContact O-N 3.3Å; D77-R80 WeakPolarHBondContact O-CB 3.32Å; D77-R80 PolarHBondContact O-N 3.48Å; D77-E81 WeakPolarHBondContact O-CB 3.44Å; D77-E81 PolarHBondContact O-N 2.95Å |
| 78 | F | 54.5 | Low | 55.5 | Low | 132 Ų | 132 | 100.5 Ų | 100.5 | 58% | 0.579 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.6 | -46.6 | 171.7 | 179.9 | -101.5 | 0 | 0 | 0 | 111.3 | I74 R80 E81 M82 | I74-F78 WeakPolarHBondContact O-CB 3.33Å; I74-F78 PolarHBondContact O-N 3.21Å; F78-R80 VanDerWaalsContact C-N 3.28Å; F78-R80 PolarHBondContact O-N 3.1Å; F78-E81 PolarHBondContact O-N 3.32Å; F78-M82 HydrophobicContact CD1-CG 4.09Å; F78-M82 HydrophobicContact CD2-CG 4.29Å; F78-M82 HydrophobicContact CE1-CG 3.69Å; F78-M82 HydrophobicContact CE2-CG 3.91Å; F78-M82 HydrophobicContact CE2-SD 4.12Å; F78-M82 HydrophobicContact CG-CG 4.38Å; F78-M82 HydrophobicContact CZ-CG 3.59Å; F78-M82 HydrophobicContact CZ-SD 3.9Å; F78-M82 WeakPolarHBondContact O-CB 3.34Å; F78-M82 VanDerWaalsContact O-CG 3.26Å; F78-M82 WeakPolarHBondContact O-CG 3.4Å; F78-M82 PolarHBondContact O-N 3.02Å |
| 79 | K | 61 | Low | 57.2 | Low | 134 Ų | 134 | 101.2 Ų | 101.2 | 58% | 0.583 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.3 | -38.1 | 173.4 | -78.4 | 171.6 | -179.6 | 172.9 | 0 | 111.4 | E75 K83 | E75-K79 WeakPolarHBondContact O-CB 3.45Å; E75-K79 WeakPolarHBondContact O-CD 3.48Å; E75-K79 WeakPolarHBondContact O-CG 3.37Å; E75-K79 PolarHBondContact O-N 2.96Å; K79-K83 WeakPolarHBondContact O-CB 3.21Å; K79-K83 PolarHBondContact O-N 2.91Å |
| 80 | R | 65.7 | Low | 59.3 | Low | 139 Ų | 139 | 103.7 Ų | 103.7 | 53% | 0.525 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.4 | -44.8 | 177.3 | -175.9 | -176.1 | -65.6 | -176.4 | -0.2 | 111.5 | T76 D77 F78 K83 R84 | T76-R80 WeakPolarHBondContact O-CB 3.48Å; T76-R80 PolarHBondContact O-N 2.99Å; D77-R80 WeakPolarHBondContact O-CB 3.32Å; D77-R80 PolarHBondContact O-N 3.48Å; F78-R80 VanDerWaalsContact C-N 3.28Å; F78-R80 PolarHBondContact O-N 3.1Å; R80-K83 PolarHBondContact O-N 2.9Å; R80-R84 WeakPolarHBondContact O-CG 3.35Å; R80-R84 PolarHBondContact O-N 3.29Å |
| 81 | E | 68 | Low | 61.1 | Low | 80 Ų | 80 | 99.4 Ų | 99.4 | 37% | 0.374 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -68.8 | -45.4 | 179.3 | -163.2 | 57.5 | -153.1 | 0 | 0 | 110.9 | D77 F78 K83 R84 Y85 | D77-E81 WeakPolarHBondContact O-CB 3.44Å; D77-E81 PolarHBondContact O-N 2.95Å; F78-E81 PolarHBondContact O-N 3.32Å; E81-K83 VanDerWaalsContact C-N 3.31Å; E81-K83 PolarHBondContact O-N 3.45Å; E81-R84 WeakPolarHBondContact O-CB 3.42Å; E81-R84 PolarHBondContact O-N 3.41Å; E81-R84 VanDerWaalsContact O-N 3.08Å; E81-R84 IonicContact OE2-NH1 3.36Å; E81-R84 PolarHBondContact OE2-NH1 3.15Å; E81-Y85 HydrophobicContact CG-CD2 4.12Å; E81-Y85 HydrophobicContact CG-CE2 3.93Å; E81-Y85 WeakPolarHBondContact O-CD2 3.43Å; E81-Y85 PolarHBondContact O-N 2.85Å; E81-Y85 WeakPolarHBondContact OE1-CE2 3.39Å |
| 82 | M | 61.4 | Low | 63 | Low | 67 Ų | 67 | 99.5 Ų | 99.5 | 33% | 0.33 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -57.6 | -43.5 | 171.2 | -70.6 | -59.6 | -63.3 | 0 | 0 | 111.3 | F78 R84 Y85 Y86 | F78-M82 HydrophobicContact CD1-CG 4.09Å; F78-M82 HydrophobicContact CD2-CG 4.29Å; F78-M82 HydrophobicContact CE1-CG 3.69Å; F78-M82 HydrophobicContact CE2-CG 3.91Å; F78-M82 HydrophobicContact CE2-SD 4.12Å; F78-M82 HydrophobicContact CG-CG 4.38Å; F78-M82 HydrophobicContact CZ-CG 3.59Å; F78-M82 HydrophobicContact CZ-SD 3.9Å; F78-M82 WeakPolarHBondContact O-CB 3.34Å; F78-M82 VanDerWaalsContact O-CG 3.26Å; F78-M82 WeakPolarHBondContact O-CG 3.4Å; F78-M82 PolarHBondContact O-N 3.02Å; M82-R84 VanDerWaalsContact C-N 3.31Å; M82-R84 PolarHBondContact O-N 3.48Å; M82-Y85 PolarHBondContact O-N 3.39Å; M82-Y86 HydrophobicContact CB-CD2 4.39Å; M82-Y86 HydrophobicContact CE-CD2 4.23Å; M82-Y86 HydrophobicContact CE-CE2 3.53Å; M82-Y86 WeakPolarHBondContact O-CB 3.42Å; M82-Y86 WeakPolarHBondContact O-CD2 3.34Å; M82-Y86 PolarHBondContact O-N 3.41Å |
| 83 | K | 68.7 | Low | 64.8 | Low | 144 Ų | 144 | 101.6 Ų | 101.6 | 63% | 0.626 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -60.9 | -38.7 | 175.9 | -171.5 | 173 | -176.3 | 175.9 | 0 | 111.6 | K79 R80 E81 I87 | K79-K83 WeakPolarHBondContact O-CB 3.21Å; K79-K83 PolarHBondContact O-N 2.91Å; R80-K83 PolarHBondContact O-N 2.9Å; E81-K83 VanDerWaalsContact C-N 3.31Å; E81-K83 PolarHBondContact O-N 3.45Å; K83-I87 HydrophobicContact CG-CD1 3.87Å; K83-I87 HydrophobicContact CG-CG1 4.45Å; K83-I87 WeakPolarHBondContact O-CB 3.28Å; K83-I87 WeakPolarHBondContact O-CD1 3.37Å; K83-I87 WeakPolarHBondContact O-CG1 3.43Å; K83-I87 PolarHBondContact O-N 2.94Å |
| 84 | R | 69 | Low | 66.6 | Low | 151 Ų | 151 | 102.3 Ų | 102.3 | 57% | 0.57 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -64.1 | -47.5 | 173.7 | -73.9 | 172.5 | 174.8 | -178.6 | -4 | 112.1 | R80 E81 M82 I87 G88 | R80-R84 WeakPolarHBondContact O-CG 3.35Å; R80-R84 PolarHBondContact O-N 3.29Å; E81-R84 WeakPolarHBondContact O-CB 3.42Å; E81-R84 PolarHBondContact O-N 3.41Å; E81-R84 VanDerWaalsContact O-N 3.08Å; E81-R84 IonicContact OE2-NH1 3.36Å; E81-R84 PolarHBondContact OE2-NH1 3.15Å; M82-R84 VanDerWaalsContact C-N 3.31Å; M82-R84 PolarHBondContact O-N 3.48Å; R84-I87 PolarHBondContact O-N 3.27Å; R84-G88 PolarHBondContact O-N 3.5Å |
| 85 | Y | 66.3 | Low | 68.3 | Low | 150 Ų | 150 | 103.6 Ų | 103.6 | 59% | 0.588 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -60 | -45.6 | 175.9 | -85.7 | -78.3 | 0 | 0 | 0 | 111.7 | E81 M82 G88 L89 | E81-Y85 HydrophobicContact CG-CD2 4.12Å; E81-Y85 HydrophobicContact CG-CE2 3.93Å; E81-Y85 WeakPolarHBondContact O-CD2 3.43Å; E81-Y85 PolarHBondContact O-N 2.85Å; E81-Y85 WeakPolarHBondContact OE1-CE2 3.39Å; M82-Y85 PolarHBondContact O-N 3.39Å; Y85-G88 PolarHBondContact O-N 3.08Å; Y85-L89 WeakPolarHBondContact O-CB 3.41Å; Y85-L89 PolarHBondContact O-N 3.48Å |
| 86 | Y | 70.2 | Confident | 70.1 | Confident | 156 Ų | 156 | 102.8 Ų | 102.8 | 61% | 0.612 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64 | -40.1 | 176.6 | -84.9 | -69.1 | 0 | 0 | 0 | 112.6 | M82 L89 K90 | M82-Y86 HydrophobicContact CB-CD2 4.39Å; M82-Y86 HydrophobicContact CE-CD2 4.23Å; M82-Y86 HydrophobicContact CE-CE2 3.53Å; M82-Y86 WeakPolarHBondContact O-CB 3.42Å; M82-Y86 WeakPolarHBondContact O-CD2 3.34Å; M82-Y86 PolarHBondContact O-N 3.41Å; Y86-L89 PolarHBondContact O-N 2.85Å; Y86-K90 VanDerWaalsContact O-CB 3.27Å; Y86-K90 WeakPolarHBondContact O-CB 3.35Å; Y86-K90 PolarHBondContact O-N 3.1Å |
| 87 | I | 72.1 | Confident | 71.4 | Confident | 81 Ų | 81 | 104.2 Ų | 104.2 | 42% | 0.415 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 174.5 | -71 | 164.3 | 0 | 0 | 0 | 110.5 | K83 R84 K90 Q91 | K83-I87 HydrophobicContact CG-CD1 3.87Å; K83-I87 HydrophobicContact CG-CG1 4.45Å; K83-I87 WeakPolarHBondContact O-CB 3.28Å; K83-I87 WeakPolarHBondContact O-CD1 3.37Å; K83-I87 WeakPolarHBondContact O-CG1 3.43Å; K83-I87 PolarHBondContact O-N 2.94Å; R84-I87 PolarHBondContact O-N 3.27Å; I87-K90 PolarHBondContact O-N 3.33Å; I87-Q91 HydrophobicContact CG2-CG 4.49Å; I87-Q91 WeakPolarHBondContact O-CB 3.42Å; I87-Q91 VanDerWaalsContact O-CG 3.3Å; I87-Q91 WeakPolarHBondContact O-CG 3.45Å; I87-Q91 PolarHBondContact O-N 2.88Å |
| 88 | G | 72.6 | Confident | 73 | Confident | 26 Ų | 26 | 107.6 Ų | 107.6 | 27% | 0.268 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | R84 Y85 Q91 N92 | R84-G88 PolarHBondContact O-N 3.5Å; Y85-G88 PolarHBondContact O-N 3.08Å; G88-Q91 PolarHBondContact O-N 3.04Å; G88-N92 PolarHBondContact O-N 3.21Å |
| 89 | L | 70.7 | Confident | 74.5 | Confident | 100 Ų | 100 | 106.1 Ų | 106.1 | 52% | 0.524 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.6 | -47.2 | 173.1 | -97 | 156.9 | 0 | 0 | 0 | 111.5 | Y85 Y86 Q91 N92 L93 | Y85-L89 WeakPolarHBondContact O-CB 3.41Å; Y85-L89 PolarHBondContact O-N 3.48Å; Y86-L89 PolarHBondContact O-N 2.85Å; L89-Q91 PolarHBondContact O-N 3.03Å; L89-N92 PolarHBondContact O-N 3.31Å; L89-N92 VanDerWaalsContact O-N 3.12Å; L89-L93 WeakPolarHBondContact O-CG 3.25Å; L89-L93 PolarHBondContact O-N 2.96Å |
| 90 | K | 81.4 | Confident | 75.5 | Confident | 136 Ų | 136 | 105.5 Ų | 105.5 | 59% | 0.591 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -57.9 | -48.1 | 176.2 | -174.5 | 173.9 | -178.6 | 177 | 0 | 111.2 | Y86 I87 N92 L93 D94 | Y86-K90 VanDerWaalsContact O-CB 3.27Å; Y86-K90 WeakPolarHBondContact O-CB 3.35Å; Y86-K90 PolarHBondContact O-N 3.1Å; I87-K90 PolarHBondContact O-N 3.33Å; K90-N92 VanDerWaalsContact C-N 3.26Å; K90-N92 PolarHBondContact O-N 3Å; K90-L93 PolarHBondContact O-N 3.33Å; K90-D94 WeakPolarHBondContact O-CB 3.4Å; K90-D94 PolarHBondContact O-N 3.36Å |
| 91 | Q | 76 | Confident | 76.5 | Confident | 103 Ų | 103 | 104.7 Ų | 104.7 | 48% | 0.481 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.4 | -33.1 | 176.4 | -74 | 178.1 | 4.2 | 0 | 0 | 113.5 | I87 G88 L89 K95 | I87-Q91 HydrophobicContact CG2-CG 4.49Å; I87-Q91 WeakPolarHBondContact O-CB 3.42Å; I87-Q91 VanDerWaalsContact O-CG 3.3Å; I87-Q91 WeakPolarHBondContact O-CG 3.45Å; I87-Q91 PolarHBondContact O-N 2.88Å; G88-Q91 PolarHBondContact O-N 3.04Å; L89-Q91 PolarHBondContact O-N 3.03Å; Q91-K95 VanDerWaalsContact O-CG 3.24Å; Q91-K95 WeakPolarHBondContact O-CG 3.38Å; Q91-K95 PolarHBondContact O-N 2.87Å; Q91-K95 VanDerWaalsContact O-N 3.16Å |
| 92 | N | 78.4 | Confident | 77.4 | Confident | 88 Ų | 88 | 107.3 Ų | 107.3 | 47% | 0.471 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -74 | -39.8 | 176 | -77.7 | -19.1 | 0 | 0 | 0 | 111.9 | G88 L89 K90 K95 I96 | G88-N92 PolarHBondContact O-N 3.21Å; L89-N92 PolarHBondContact O-N 3.31Å; L89-N92 VanDerWaalsContact O-N 3.12Å; K90-N92 VanDerWaalsContact C-N 3.26Å; K90-N92 PolarHBondContact O-N 3Å; N92-K95 WeakPolarHBondContact O-CB 3.47Å; N92-K95 PolarHBondContact O-N 3.45Å; N92-I96 WeakPolarHBondContact O-CG1 3.25Å; N92-I96 PolarHBondContact O-N 2.96Å |
| 93 | L | 77.7 | Confident | 78.6 | Confident | 95 Ų | 95 | 107.8 Ų | 107.8 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.4 | -48.7 | 171.7 | -70.5 | 172.2 | 0 | 0 | 0 | 110.7 | L89 K90 K95 I96 D97 | L89-L93 WeakPolarHBondContact O-CG 3.25Å; L89-L93 PolarHBondContact O-N 2.96Å; K90-L93 PolarHBondContact O-N 3.33Å; L93-K95 PolarHBondContact O-N 3.22Å; L93-K95 VanDerWaalsContact O-N 3.09Å; L93-I96 WeakPolarHBondContact O-CA 3.47Å; L93-I96 WeakPolarHBondContact O-CB 3.18Å; L93-I96 PolarHBondContact O-N 3.46Å; L93-D97 PolarHBondContact O-N 2.96Å |
| 94 | D | 82.8 | Confident | 79.4 | Confident | 64 Ų | 64 | 103.9 Ų | 103.9 | 34% | 0.342 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.1 | -26.8 | 176.1 | -63 | -18.6 | 0 | 0 | 0 | 112.9 | K90 R98 | K90-D94 WeakPolarHBondContact O-CB 3.4Å; K90-D94 PolarHBondContact O-N 3.36Å; D94-R98 WeakPolarHBondContact O-CB 3.42Å; D94-R98 WeakPolarHBondContact O-CG 3.41Å; D94-R98 PolarHBondContact O-N 2.83Å; D94-R98 PolarHBondContact O-NE 3.43Å |
| 95 | K | 86 | Confident | 80.3 | Confident | 103 Ų | 103 | 100.2 Ų | 100.2 | 45% | 0.448 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -77.3 | -42.5 | 173.3 | -77.5 | 169.4 | -169.8 | 168.3 | 0 | 111.5 | Q91 N92 L93 D97 R98 I99 | Q91-K95 VanDerWaalsContact O-CG 3.24Å; Q91-K95 WeakPolarHBondContact O-CG 3.38Å; Q91-K95 PolarHBondContact O-N 2.87Å; Q91-K95 VanDerWaalsContact O-N 3.16Å; N92-K95 WeakPolarHBondContact O-CB 3.47Å; N92-K95 PolarHBondContact O-N 3.45Å; L93-K95 PolarHBondContact O-N 3.22Å; L93-K95 VanDerWaalsContact O-N 3.09Å; K95-D97 VanDerWaalsContact C-N 3.33Å; K95-R98 PolarHBondContact O-N 2.93Å; K95-I99 VanDerWaalsContact O-CG1 3.26Å; K95-I99 WeakPolarHBondContact O-CG1 3.49Å; K95-I99 PolarHBondContact O-N 3.23Å |
| 96 | I | 81.6 | Confident | 81.5 | Confident | 82 Ų | 82 | 99.9 Ų | 99.9 | 42% | 0.421 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62 | -46.2 | 177.1 | -68.9 | 165.9 | 0 | 0 | 0 | 109.3 | N92 L93 R98 I99 Q100 | N92-I96 WeakPolarHBondContact O-CG1 3.25Å; N92-I96 PolarHBondContact O-N 2.96Å; L93-I96 WeakPolarHBondContact O-CA 3.47Å; L93-I96 WeakPolarHBondContact O-CB 3.18Å; L93-I96 PolarHBondContact O-N 3.46Å; I96-R98 PolarHBondContact O-N 3.38Å; I96-I99 PolarHBondContact O-N 3.36Å; I96-Q100 HydrophobicContact CG2-CG 4.37Å; I96-Q100 WeakPolarHBondContact O-CG 3.42Å; I96-Q100 PolarHBondContact O-N 3.41Å |
| 97 | D | 83.6 | Confident | 82.3 | Confident | 87 Ų | 87 | 98.1 Ų | 98.1 | 47% | 0.465 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.1 | -45 | 179.5 | -68.3 | -15.9 | 0 | 0 | 0 | 111.5 | L93 K95 I99 Q100 E101 | L93-D97 PolarHBondContact O-N 2.96Å; K95-D97 VanDerWaalsContact C-N 3.33Å; D97-I99 PolarHBondContact O-N 2.97Å; D97-Q100 PolarHBondContact O-N 3.11Å; D97-E101 WeakPolarHBondContact O-CB 3.42Å; D97-E101 PolarHBondContact O-N 3.24Å |
| 98 | R | 84.7 | Confident | 83.1 | Confident | 141 Ų | 141 | 98.2 Ų | 98.2 | 53% | 0.532 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.5 | -43.7 | 174.3 | -81.3 | -176.4 | -77.3 | -172.4 | -8.4 | 113.2 | D94 K95 I96 Q100 E101 E102 | D94-R98 WeakPolarHBondContact O-CB 3.42Å; D94-R98 WeakPolarHBondContact O-CG 3.41Å; D94-R98 PolarHBondContact O-N 2.83Å; D94-R98 PolarHBondContact O-NE 3.43Å; K95-R98 PolarHBondContact O-N 2.93Å; I96-R98 PolarHBondContact O-N 3.38Å; R98-Q100 VanDerWaalsContact C-N 3.32Å; R98-Q100 PolarHBondContact O-N 3.34Å; R98-E101 PolarHBondContact O-N 3.29Å; R98-E102 WeakPolarHBondContact O-CB 3.02Å; R98-E102 WeakPolarHBondContact O-CG 3.33Å; R98-E102 PolarHBondContact O-N 3.04Å |
| 99 | I | 86.4 | Confident | 84 | Confident | 102 Ų | 102 | 105.2 Ų | 105.2 | 52% | 0.523 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65 | -40 | 178.3 | -69.5 | 166.3 | 0 | 0 | 0 | 110.5 | K95 I96 D97 T103 | K95-I99 VanDerWaalsContact O-CG1 3.26Å; K95-I99 WeakPolarHBondContact O-CG1 3.49Å; K95-I99 PolarHBondContact O-N 3.23Å; I96-I99 PolarHBondContact O-N 3.36Å; D97-I99 PolarHBondContact O-N 2.97Å; I99-T103 VanDerWaalsContact O-CB 3.31Å; I99-T103 WeakPolarHBondContact O-CB 3.5Å; I99-T103 PolarHBondContact O-N 3.35Å; I99-T103 PolarHBondContact O-OG1 3.29Å |
| 100 | Q | 83.1 | Confident | 84.8 | Confident | 120 Ų | 120 | 104.3 Ų | 104.3 | 56% | 0.561 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.7 | -43 | 176.1 | -73.3 | -178.9 | -0.2 | 0 | 0 | 111.4 | I96 D97 R98 T103 A104 | I96-Q100 HydrophobicContact CG2-CG 4.37Å; I96-Q100 WeakPolarHBondContact O-CG 3.42Å; I96-Q100 PolarHBondContact O-N 3.41Å; D97-Q100 PolarHBondContact O-N 3.11Å; R98-Q100 VanDerWaalsContact C-N 3.32Å; R98-Q100 PolarHBondContact O-N 3.34Å; Q100-T103 PolarHBondContact O-N 3.34Å; Q100-A104 WeakPolarHBondContact O-CB 3.34Å; Q100-A104 PolarHBondContact O-N 2.91Å |
| 101 | E | 85.8 | Confident | 85.2 | Confident | 122 Ų | 122 | 104.4 Ų | 104.4 | 57% | 0.57 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.6 | -49.7 | 176.2 | -173.4 | -180 | -172.4 | 0 | 0 | 111.8 | D97 R98 T103 A104 I105 | D97-E101 WeakPolarHBondContact O-CB 3.42Å; D97-E101 PolarHBondContact O-N 3.24Å; R98-E101 PolarHBondContact O-N 3.29Å; E101-T103 VanDerWaalsContact C-N 3.28Å; E101-T103 PolarHBondContact O-N 2.99Å; E101-A104 PolarHBondContact O-N 3.48Å; E101-I105 HydrophobicContact CG-CD1 4.01Å; E101-I105 VanDerWaalsContact O-CG1 3.31Å; E101-I105 WeakPolarHBondContact O-CG1 3.47Å; E101-I105 PolarHBondContact O-N 2.82Å |
| 102 | E | 86.3 | Confident | 86 | Confident | 136 Ų | 136 | 105.8 Ų | 105.8 | 64% | 0.636 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -58 | -42.4 | 176.2 | -76.1 | -178.4 | -177.9 | 0 | 0 | 111.8 | R98 I105 K106 | R98-E102 WeakPolarHBondContact O-CB 3.02Å; R98-E102 WeakPolarHBondContact O-CG 3.33Å; R98-E102 PolarHBondContact O-N 3.04Å; E102-I105 PolarHBondContact O-N 3.02Å; E102-K106 WeakPolarHBondContact O-CB 3.49Å; E102-K106 PolarHBondContact O-N 3.06Å |
| 103 | T | 86.5 | Confident | 86.5 | Confident | 76 Ų | 76 | 107.6 Ų | 107.6 | 47% | 0.466 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.2 | -43.4 | 178 | -56 | 0 | 0 | 0 | 0 | 110.9 | I99 Q100 E101 K106 M107 | I99-T103 VanDerWaalsContact O-CB 3.31Å; I99-T103 WeakPolarHBondContact O-CB 3.5Å; I99-T103 PolarHBondContact O-N 3.35Å; I99-T103 PolarHBondContact O-OG1 3.29Å; Q100-T103 PolarHBondContact O-N 3.34Å; E101-T103 VanDerWaalsContact C-N 3.28Å; E101-T103 PolarHBondContact O-N 2.99Å; T103-K106 PolarHBondContact O-N 3.42Å; T103-M107 HydrophobicContact CG2-CG 4.5Å; T103-M107 WeakPolarHBondContact O-CB 3.28Å; T103-M107 VanDerWaalsContact O-CG 3.29Å; T103-M107 WeakPolarHBondContact O-CG 3.5Å; T103-M107 PolarHBondContact O-N 3.41Å |
| 104 | A | 86.6 | Confident | 86.9 | Confident | 62 Ų | 62 | 106.6 Ų | 106.6 | 51% | 0.512 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q100 E101 M107 N108 | Q100-A104 WeakPolarHBondContact O-CB 3.34Å; Q100-A104 PolarHBondContact O-N 2.91Å; E101-A104 PolarHBondContact O-N 3.48Å; A104-M107 PolarHBondContact O-N 3.46Å; A104-N108 WeakPolarHBondContact O-CB 3.42Å; A104-N108 PolarHBondContact O-N 2.96Å |
| 105 | I | 88.5 | Confident | 87.2 | Confident | 74 Ų | 74 | 109.8 Ų | 109.8 | 38% | 0.379 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.3 | -46.2 | 175.3 | -67.9 | 167.2 | 0 | 0 | 0 | 110.2 | E101 E102 M107 N108 R109 | E101-I105 HydrophobicContact CG-CD1 4.01Å; E101-I105 VanDerWaalsContact O-CG1 3.31Å; E101-I105 WeakPolarHBondContact O-CG1 3.47Å; E101-I105 PolarHBondContact O-N 2.82Å; E102-I105 PolarHBondContact O-N 3.02Å; I105-M107 PolarHBondContact O-N 2.91Å; I105-N108 PolarHBondContact O-N 3.47Å; I105-R109 WeakPolarHBondContact O-CG 3.34Å; I105-R109 PolarHBondContact O-N 3.21Å |
| 106 | K | 89.8 | Confident | 87.3 | Confident | 143 Ų | 143 | 111.4 Ų | 111.4 | 62% | 0.622 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.6 | -44.7 | 179.1 | -170.5 | 175.6 | -177.3 | 178 | 0 | 111.6 | E102 T103 N108 R109 L110 | E102-K106 WeakPolarHBondContact O-CB 3.49Å; E102-K106 PolarHBondContact O-N 3.06Å; T103-K106 PolarHBondContact O-N 3.42Å; K106-N108 PolarHBondContact O-N 3.25Å; K106-R109 PolarHBondContact O-N 3.22Å; K106-L110 HydrophobicContact CG-CD1 4.41Å; K106-L110 WeakPolarHBondContact O-CG 3.26Å; K106-L110 PolarHBondContact O-N 2.97Å |
| 107 | M | 87.8 | Confident | 87.6 | Confident | 119 Ų | 119 | 113.6 Ų | 113.6 | 59% | 0.586 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.1 | -40.6 | 175.9 | -72.4 | -59.7 | -68.6 | 0 | 0 | 112.2 | T103 A104 I105 L110 Y111 | T103-M107 HydrophobicContact CG2-CG 4.5Å; T103-M107 WeakPolarHBondContact O-CB 3.28Å; T103-M107 VanDerWaalsContact O-CG 3.29Å; T103-M107 WeakPolarHBondContact O-CG 3.5Å; T103-M107 PolarHBondContact O-N 3.41Å; A104-M107 PolarHBondContact O-N 3.46Å; I105-M107 PolarHBondContact O-N 2.91Å; M107-L110 PolarHBondContact O-N 2.88Å; M107-L110 HydrophobicContact SD-CD1 4.47Å; M107-Y111 WeakPolarHBondContact O-CB 3.17Å; M107-Y111 PolarHBondContact O-N 3.5Å |
| 108 | N | 89.9 | Confident | 87.7 | Confident | 84 Ų | 84 | 111.9 Ų | 111.9 | 45% | 0.449 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.6 | -40.5 | 177.2 | -165.5 | -21.3 | 0 | 0 | 0 | 111.9 | A104 I105 K106 Y111 K112 | A104-N108 WeakPolarHBondContact O-CB 3.42Å; A104-N108 PolarHBondContact O-N 2.96Å; I105-N108 PolarHBondContact O-N 3.47Å; K106-N108 PolarHBondContact O-N 3.25Å; N108-Y111 PolarHBondContact O-N 3.04Å; N108-K112 WeakPolarHBondContact O-CG 3.45Å; N108-K112 PolarHBondContact O-N 3.36Å; N108-K112 WeakPolarHBondContact OD1-CE 3.09Å |
| 109 | R | 89.6 | Confident | 87.7 | Confident | 173 Ų | 173 | 111.5 Ų | 111.5 | 65% | 0.653 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -59.8 | -50.9 | 172.9 | -73 | 179.8 | -175.5 | 179.9 | 2.7 | 111.3 | I105 K106 Y111 K112 E113 | I105-R109 WeakPolarHBondContact O-CG 3.34Å; I105-R109 PolarHBondContact O-N 3.21Å; K106-R109 PolarHBondContact O-N 3.22Å; R109-Y111 VanDerWaalsContact C-N 3.29Å; R109-Y111 PolarHBondContact O-N 3.21Å; R109-K112 PolarHBondContact O-N 3.41Å; R109-K112 VanDerWaalsContact O-N 3.16Å; R109-E113 WeakPolarHBondContact O-CG 3.35Å; R109-E113 PolarHBondContact O-N 3.35Å |
| 110 | L | 88.3 | Confident | 87.6 | Confident | 80 Ų | 80 | 114.5 Ų | 114.5 | 42% | 0.419 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -58.8 | -40.5 | 177.1 | -72.6 | 172.6 | 0 | 0 | 0 | 112.2 | K106 M107 E113 S114 | K106-L110 HydrophobicContact CG-CD1 4.41Å; K106-L110 WeakPolarHBondContact O-CG 3.26Å; K106-L110 PolarHBondContact O-N 2.97Å; M107-L110 PolarHBondContact O-N 2.88Å; M107-L110 HydrophobicContact SD-CD1 4.47Å; L110-E113 PolarHBondContact O-N 2.84Å; L110-S114 VanDerWaalsContact O-CB 3.27Å; L110-S114 WeakPolarHBondContact O-CB 3.38Å; L110-S114 PolarHBondContact O-N 3.47Å; L110-S114 PolarHBondContact O-OG 3.4Å |
| 111 | Y | 90.6 | Very high | 87.6 | Confident | 139 Ų | 139 | 110.5 Ų | 110.5 | 55% | 0.545 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.8 | -45.3 | 175.5 | 175.2 | -106.8 | 0 | 0 | 0 | 112.1 | M107 N108 R109 S114 R115 | M107-Y111 WeakPolarHBondContact O-CB 3.17Å; M107-Y111 PolarHBondContact O-N 3.5Å; N108-Y111 PolarHBondContact O-N 3.04Å; R109-Y111 VanDerWaalsContact C-N 3.29Å; R109-Y111 PolarHBondContact O-N 3.21Å; Y111-S114 PolarHBondContact O-N 3.3Å; Y111-R115 WeakPolarHBondContact O-CB 3.27Å; Y111-R115 PolarHBondContact O-N 3.5Å |
| 112 | K | 91.6 | Very high | 87.5 | Confident | 131 Ų | 131 | 112 Ų | 112 | 57% | 0.57 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.5 | -43.4 | 176.1 | -76 | -179.1 | 180 | -179.6 | 0 | 111.8 | N108 R109 R115 K116 | N108-K112 WeakPolarHBondContact O-CG 3.45Å; N108-K112 PolarHBondContact O-N 3.36Å; N108-K112 WeakPolarHBondContact OD1-CE 3.09Å; R109-K112 PolarHBondContact O-N 3.41Å; R109-K112 VanDerWaalsContact O-N 3.16Å; K112-R115 PolarHBondContact O-N 3.49Å; K112-K116 WeakPolarHBondContact O-CG 3.44Å; K112-K116 PolarHBondContact O-N 3.44Å |
| 113 | E | 89.8 | Confident | 87.3 | Confident | 126 Ų | 126 | 109.7 Ų | 109.7 | 59% | 0.589 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.1 | -46.9 | 175.9 | -74.3 | -175 | 164.9 | 0 | 0 | 111.8 | R109 L110 R115 K116 L117 | R109-E113 WeakPolarHBondContact O-CG 3.35Å; R109-E113 PolarHBondContact O-N 3.35Å; L110-E113 PolarHBondContact O-N 2.84Å; E113-R115 VanDerWaalsContact C-N 3.26Å; E113-R115 PolarHBondContact O-N 3.45Å; E113-K116 WeakPolarHBondContact O-CB 3.34Å; E113-K116 PolarHBondContact O-N 3.45Å; E113-K116 VanDerWaalsContact O-N 3.11Å; E113-L117 WeakPolarHBondContact O-CB 3.33Å; E113-L117 PolarHBondContact O-N 3.43Å |
| 114 | S | 86.2 | Confident | 87 | Confident | 75 Ų | 75 | 111.9 Ų | 111.9 | 52% | 0.524 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -57.7 | -40.9 | 175.3 | -60.7 | 0 | 0 | 0 | 0 | 111.4 | L110 Y111 L117 A118 | L110-S114 VanDerWaalsContact O-CB 3.27Å; L110-S114 WeakPolarHBondContact O-CB 3.38Å; L110-S114 PolarHBondContact O-N 3.47Å; L110-S114 PolarHBondContact O-OG 3.4Å; Y111-S114 PolarHBondContact O-N 3.3Å; S114-L117 PolarHBondContact O-N 3.42Å; S114-A118 WeakPolarHBondContact O-CB 3.48Å; S114-A118 PolarHBondContact O-N 3.45Å |
| 115 | R | 88.4 | Confident | 86.9 | Confident | 131 Ų | 131 | 116.4 Ų | 116.4 | 49% | 0.494 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68.7 | -37.9 | 176.6 | -164.1 | 174.8 | -171.5 | -176.7 | 1.8 | 112.4 | Y111 K112 E113 R119 | Y111-R115 WeakPolarHBondContact O-CB 3.27Å; Y111-R115 PolarHBondContact O-N 3.5Å; K112-R115 PolarHBondContact O-N 3.49Å; E113-R115 VanDerWaalsContact C-N 3.26Å; E113-R115 PolarHBondContact O-N 3.45Å; R115-R119 VanDerWaalsContact O-CG 3.29Å; R115-R119 WeakPolarHBondContact O-CG 3.49Å; R115-R119 PolarHBondContact O-N 3.38Å; R115-R119 VanDerWaalsContact O-N 3.07Å |
| 116 | K | 89.2 | Confident | 86.6 | Confident | 137 Ų | 137 | 119.5 Ų | 119.5 | 60% | 0.596 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.8 | -45.4 | 172.8 | -76.1 | -178.9 | 179 | -175.1 | 0 | 110.7 | K112 E113 R119 R120 | K112-K116 WeakPolarHBondContact O-CG 3.44Å; K112-K116 PolarHBondContact O-N 3.44Å; E113-K116 WeakPolarHBondContact O-CB 3.34Å; E113-K116 PolarHBondContact O-N 3.45Å; E113-K116 VanDerWaalsContact O-N 3.11Å; K116-R119 WeakPolarHBondContact O-CB 3.36Å; K116-R119 PolarHBondContact O-N 3.49Å; K116-R119 VanDerWaalsContact O-N 3.13Å; K116-R120 PolarHBondContact O-N 3.42Å |
| 117 | L | 86.9 | Confident | 86.2 | Confident | 127 Ų | 127 | 118.3 Ų | 118.3 | 67% | 0.665 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.1 | -44.6 | 177.7 | -162.1 | 115.1 | 0 | 0 | 0 | 111.6 | E113 S114 R119 R120 G121 | E113-L117 WeakPolarHBondContact O-CB 3.33Å; E113-L117 PolarHBondContact O-N 3.43Å; S114-L117 PolarHBondContact O-N 3.42Å; L117-R119 PolarHBondContact O-N 3.24Å; L117-R120 PolarHBondContact O-N 3.33Å; L117-G121 PolarHBondContact O-N 3.31Å |
| 118 | A | 85.3 | Confident | 85.7 | Confident | 51 Ų | 51 | 116 Ų | 116 | 42% | 0.421 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.4 | -24.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | S114 R122 | S114-A118 WeakPolarHBondContact O-CB 3.48Å; S114-A118 PolarHBondContact O-N 3.45Å; A118-R122 WeakPolarHBondContact O-CG 3.33Å; A118-R122 PolarHBondContact O-N 3.16Å; A118-R122 PolarHBondContact O-NE 3.48Å |
| 119 | R | 85.8 | Confident | 85.3 | Confident | 133 Ų | 133 | 116.3 Ų | 116.3 | 50% | 0.502 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -77.7 | -43.6 | 171.1 | -74.6 | 173.4 | -179.7 | -175.6 | 0.2 | 111.3 | R115 K116 L117 R122 N123 | R115-R119 VanDerWaalsContact O-CG 3.29Å; R115-R119 WeakPolarHBondContact O-CG 3.49Å; R115-R119 PolarHBondContact O-N 3.38Å; R115-R119 VanDerWaalsContact O-N 3.07Å; K116-R119 WeakPolarHBondContact O-CB 3.36Å; K116-R119 PolarHBondContact O-N 3.49Å; K116-R119 VanDerWaalsContact O-N 3.13Å; L117-R119 PolarHBondContact O-N 3.24Å; R119-R122 PolarHBondContact O-N 3.5Å; R119-N123 PolarHBondContact O-N 3.19Å |
| 120 | R | 83.7 | Confident | 84.9 | Confident | 165 Ų | 165 | 115.2 Ų | 115.2 | 62% | 0.623 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -57.7 | -51.6 | 174.5 | -72.7 | -178 | -177.8 | 164.6 | -1.4 | 111.1 | K116 L117 R122 N123 E124 | K116-R120 PolarHBondContact O-N 3.42Å; L117-R120 PolarHBondContact O-N 3.33Å; R120-R122 VanDerWaalsContact C-N 3.27Å; R120-R122 PolarHBondContact O-N 3.41Å; R120-N123 PolarHBondContact O-N 3.23Å; R120-E124 WeakPolarHBondContact O-CB 3.27Å; R120-E124 WeakPolarHBondContact O-CG 3.29Å; R120-E124 PolarHBondContact O-N 3.47Å |
| 121 | G | 83.5 | Confident | 84.4 | Confident | 36 Ų | 36 | 117.2 Ų | 117.2 | 37% | 0.371 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -59.8 | -33.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L117 K125 | L117-G121 PolarHBondContact O-N 3.31Å; G121-K125 VanDerWaalsContact O-CB 3.28Å; G121-K125 WeakPolarHBondContact O-CB 3.47Å; G121-K125 PolarHBondContact O-N 3.17Å |
| 122 | R | 82.7 | Confident | 83.6 | Confident | 154 Ų | 154 | 118.6 Ų | 118.6 | 58% | 0.581 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -70.8 | -39.3 | 172.3 | -85.2 | -173.2 | -76.6 | 169.7 | -11.8 | 113 | A118 R119 R120 K126 | A118-R122 WeakPolarHBondContact O-CG 3.33Å; A118-R122 PolarHBondContact O-N 3.16Å; A118-R122 PolarHBondContact O-NE 3.48Å; R119-R122 PolarHBondContact O-N 3.5Å; R120-R122 VanDerWaalsContact C-N 3.27Å; R120-R122 PolarHBondContact O-N 3.41Å; R122-K126 WeakPolarHBondContact O-CB 3.24Å; R122-K126 WeakPolarHBondContact O-CG 3.35Å; R122-K126 PolarHBondContact O-N 3.23Å |
| 123 | N | 81.9 | Confident | 82.9 | Confident | 88 Ų | 88 | 120.8 Ų | 120.8 | 47% | 0.471 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -69.9 | -42.6 | 178.6 | -74.1 | -9.5 | 0 | 0 | 0 | 111.3 | R119 R120 K125 K126 Q127 | R119-N123 PolarHBondContact O-N 3.19Å; R120-N123 PolarHBondContact O-N 3.23Å; N123-K125 VanDerWaalsContact C-N 3.35Å; N123-K125 PolarHBondContact O-N 3.21Å; N123-K126 WeakPolarHBondContact O-CB 3.49Å; N123-K126 PolarHBondContact O-N 3.42Å; N123-K126 VanDerWaalsContact O-N 3.15Å; N123-Q127 WeakPolarHBondContact O-CG 3.41Å; N123-Q127 PolarHBondContact O-N 3.18Å |
| 124 | E | 80.9 | Confident | 82.3 | Confident | 121 Ų | 121 | 121.5 Ų | 121.5 | 57% | 0.565 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -58.1 | -46.7 | 171.9 | -72.9 | 164.4 | -159.4 | 0 | 0 | 110.7 | R120 K126 Q127 S128 | R120-E124 WeakPolarHBondContact O-CB 3.27Å; R120-E124 WeakPolarHBondContact O-CG 3.29Å; R120-E124 PolarHBondContact O-N 3.47Å; E124-K126 VanDerWaalsContact C-N 3.33Å; E124-K126 PolarHBondContact O-N 3.39Å; E124-Q127 PolarHBondContact O-N 2.98Å; E124-S128 WeakPolarHBondContact O-CB 3.43Å; E124-S128 PolarHBondContact O-N 3.25Å; E124-S128 PolarHBondContact O-OG 2.96Å |
| 125 | K | 84.3 | Confident | 81.8 | Confident | 158 Ų | 158 | 123.5 Ų | 123.5 | 69% | 0.687 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61.9 | -36.6 | 174.6 | -170.6 | 172.3 | -176.5 | 174.5 | 0 | 113 | G121 N123 S128 L129 | G121-K125 VanDerWaalsContact O-CB 3.28Å; G121-K125 WeakPolarHBondContact O-CB 3.47Å; G121-K125 PolarHBondContact O-N 3.17Å; N123-K125 VanDerWaalsContact C-N 3.35Å; N123-K125 PolarHBondContact O-N 3.21Å; K125-S128 WeakPolarHBondContact CA-OG 3.42Å; K125-S128 PolarHBondContact O-OG 3.26Å; K125-S128 VanDerWaalsContact O-OG 3.11Å; K125-L129 VanDerWaalsContact O-CB 3.25Å; K125-L129 WeakPolarHBondContact O-CB 3.44Å; K125-L129 PolarHBondContact O-N 2.93Å |
| 126 | K | 82.4 | Confident | 81.1 | Confident | 138 Ų | 138 | 119.4 Ų | 119.4 | 60% | 0.6 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -69.1 | -39.6 | 174.8 | -78.6 | 179.4 | 177.9 | -174.3 | 0 | 111.8 | R122 N123 E124 K130 | R122-K126 WeakPolarHBondContact O-CB 3.24Å; R122-K126 WeakPolarHBondContact O-CG 3.35Å; R122-K126 PolarHBondContact O-N 3.23Å; N123-K126 WeakPolarHBondContact O-CB 3.49Å; N123-K126 PolarHBondContact O-N 3.42Å; N123-K126 VanDerWaalsContact O-N 3.15Å; E124-K126 VanDerWaalsContact C-N 3.33Å; E124-K126 PolarHBondContact O-N 3.39Å; K126-K130 WeakPolarHBondContact O-CG 3.39Å; K126-K130 PolarHBondContact O-N 2.94Å |
| 127 | Q | 81.3 | Confident | 80 | Confident | 119 Ų | 119 | 115.8 Ų | 115.8 | 56% | 0.556 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -68.2 | -48.1 | 176.9 | -73.3 | -175.5 | 4.4 | 0 | 0 | 110.8 | N123 E124 L129 K130 F131 | N123-Q127 WeakPolarHBondContact O-CG 3.41Å; N123-Q127 PolarHBondContact O-N 3.18Å; E124-Q127 PolarHBondContact O-N 2.98Å; Q127-L129 VanDerWaalsContact C-N 3.29Å; Q127-L129 PolarHBondContact O-N 3.15Å; Q127-K130 WeakPolarHBondContact O-CA 3.28Å; Q127-K130 WeakPolarHBondContact O-CB 3.27Å; Q127-K130 PolarHBondContact O-N 3.39Å; Q127-F131 WeakPolarHBondContact O-CD2 3.46Å; Q127-F131 PolarHBondContact O-N 2.95Å |
| 128 | S | 77.9 | Confident | 78.9 | Confident | 69 Ų | 69 | 116.5 Ų | 116.5 | 48% | 0.483 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.8 | -38 | 177.2 | 67.7 | 0 | 0 | 0 | 0 | 112 | E124 K125 F131 Y132 | E124-S128 WeakPolarHBondContact O-CB 3.43Å; E124-S128 PolarHBondContact O-N 3.25Å; E124-S128 PolarHBondContact O-OG 2.96Å; K125-S128 WeakPolarHBondContact CA-OG 3.42Å; K125-S128 PolarHBondContact O-OG 3.26Å; K125-S128 VanDerWaalsContact O-OG 3.11Å; S128-F131 PolarHBondContact O-N 2.93Å; S128-Y132 WeakPolarHBondContact O-CB 3.33Å; S128-Y132 PolarHBondContact O-N 3.39Å |
| 129 | L | 81.7 | Confident | 77.5 | Confident | 92 Ų | 92 | 117.2 Ų | 117.2 | 48% | 0.482 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.1 | -37.9 | 172.7 | -171.2 | 68.3 | 0 | 0 | 0 | 112.6 | K125 Q127 Y132 R133 | K125-L129 VanDerWaalsContact O-CB 3.25Å; K125-L129 WeakPolarHBondContact O-CB 3.44Å; K125-L129 PolarHBondContact O-N 2.93Å; Q127-L129 VanDerWaalsContact C-N 3.29Å; Q127-L129 PolarHBondContact O-N 3.15Å; L129-Y132 PolarHBondContact O-N 2.88Å; L129-R133 WeakPolarHBondContact O-CG 3.42Å; L129-R133 PolarHBondContact O-N 3.21Å |
| 130 | K | 81.1 | Confident | 76.1 | Confident | 150 Ų | 150 | 117.9 Ų | 117.9 | 65% | 0.652 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -64.7 | -43.2 | 173 | -77.7 | -177.8 | 179.7 | -172.5 | 0 | 111.6 | K126 Q127 R133 K134 | K126-K130 WeakPolarHBondContact O-CG 3.39Å; K126-K130 PolarHBondContact O-N 2.94Å; Q127-K130 WeakPolarHBondContact O-CA 3.28Å; Q127-K130 WeakPolarHBondContact O-CB 3.27Å; Q127-K130 PolarHBondContact O-N 3.39Å; K130-R133 PolarHBondContact O-N 3.26Å; K130-K134 PolarHBondContact O-N 2.99Å |
| 131 | F | 76.7 | Confident | 74.7 | Confident | 121 Ų | 121 | 115.5 Ų | 115.5 | 53% | 0.531 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -60.4 | -48.5 | 174 | -81.2 | -74.7 | 0 | 0 | 0 | 110.9 | Q127 S128 R133 K134 H135 | Q127-F131 WeakPolarHBondContact O-CD2 3.46Å; Q127-F131 PolarHBondContact O-N 2.95Å; S128-F131 PolarHBondContact O-N 2.93Å; F131-R133 VanDerWaalsContact C-N 3.33Å; F131-R133 PolarHBondContact O-N 3.41Å; F131-K134 PolarHBondContact O-N 3.22Å; F131-K134 VanDerWaalsContact O-N 3.1Å; F131-H135 PolarHBondContact O-CD2 2.96Å; F131-H135 PolarHBondContact O-N 2.91Å |
| 132 | Y | 74.6 | Confident | 73.2 | Confident | 169 Ų | 169 | 121.3 Ų | 121.3 | 66% | 0.663 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -58.8 | -42.7 | 178 | -167.7 | -93.1 | 0 | 0 | 0 | 112.3 | S128 L129 K134 H135 S136 | S128-Y132 WeakPolarHBondContact O-CB 3.33Å; S128-Y132 PolarHBondContact O-N 3.39Å; L129-Y132 PolarHBondContact O-N 2.88Å; Y132-K134 PolarHBondContact O-N 3.29Å; Y132-H135 PolarHBondContact O-N 3.19Å; Y132-S136 WeakPolarHBondContact O-CB 3.34Å; Y132-S136 PolarHBondContact O-N 2.89Å |
| 133 | R | 76.7 | Confident | 71.6 | Confident | 177 Ų | 177 | 121.5 Ų | 121.5 | 67% | 0.668 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -61.7 | -42.2 | 174.4 | -76.9 | -178.2 | 179.7 | -173.6 | -0.5 | 112.6 | L129 K130 F131 S137 | L129-R133 WeakPolarHBondContact O-CG 3.42Å; L129-R133 PolarHBondContact O-N 3.21Å; K130-R133 PolarHBondContact O-N 3.26Å; F131-R133 VanDerWaalsContact C-N 3.33Å; F131-R133 PolarHBondContact O-N 3.41Å; R133-S137 PolarHBondContact O-N 3.48Å; R133-S137 VanDerWaalsContact O-N 3.08Å; R133-S137 PolarHBondContact O-OG 2.82Å |
| 134 | K | 76.8 | Confident | 69.9 | Low | 141 Ų | 141 | 126.1 Ų | 126.1 | 61% | 0.613 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -64.9 | -40 | 176.8 | -76.8 | -175.2 | 176.3 | -173.6 | 0 | 112.6 | K130 F131 Y132 S137 K138 | K130-K134 PolarHBondContact O-N 2.99Å; F131-K134 PolarHBondContact O-N 3.22Å; F131-K134 VanDerWaalsContact O-N 3.1Å; Y132-K134 PolarHBondContact O-N 3.29Å; K134-S137 PolarHBondContact O-OG 2.92Å; K134-K138 WeakPolarHBondContact O-CG 3.39Å; K134-K138 PolarHBondContact O-N 3.11Å |
| 135 | H | 75.1 | Confident | 68.1 | Low | 117 Ų | 117 | 124.3 Ų | 124.3 | 54% | 0.542 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -76.5 | -36.1 | 178.6 | -70 | -70.8 | 0 | 0 | 0 | 112.4 | F131 Y132 K138 S139 | F131-H135 PolarHBondContact O-CD2 2.96Å; F131-H135 PolarHBondContact O-N 2.91Å; Y132-H135 PolarHBondContact O-N 3.19Å; H135-K138 PolarHBondContact O-N 3.03Å; H135-S139 PolarHBondContact O-N 3.48Å |
| 136 | S | 74.8 | Confident | 65.7 | Low | 44 Ų | 44 | 123 Ų | 123 | 31% | 0.308 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -62.5 | -43.4 | 174.8 | 179.5 | 0 | 0 | 0 | 0 | 111.8 | Y132 S139 K140 | Y132-S136 WeakPolarHBondContact O-CB 3.34Å; Y132-S136 PolarHBondContact O-N 2.89Å; S136-S139 PolarHBondContact O-N 3.34Å; S136-S139 PolarHBondContact O-OG 2.78Å; S136-K140 PolarHBondContact O-N 3.25Å; S136-K140 VanDerWaalsContact O-N 3.09Å |
| 137 | S | 65.6 | Low | 63.2 | Low | 62 Ų | 62 | 126.3 Ų | 126.3 | 43% | 0.434 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -66 | -39.3 | 175.8 | 60.1 | 0 | 0 | 0 | 0 | 112.6 | R133 K134 S139 K140 N141 | R133-S137 PolarHBondContact O-N 3.48Å; R133-S137 VanDerWaalsContact O-N 3.08Å; R133-S137 PolarHBondContact O-OG 2.82Å; K134-S137 PolarHBondContact O-OG 2.92Å; S137-S139 VanDerWaalsContact C-N 3.33Å; S137-S139 PolarHBondContact O-N 3.12Å; S137-K140 PolarHBondContact O-N 2.94Å; S137-N141 PolarHBondContact O-N 3.24Å; S137-N141 VanDerWaalsContact O-N 3.09Å |
| 138 | K | 64.1 | Low | 60.7 | Low | 141 Ų | 141 | 128.1 Ų | 128.1 | 61% | 0.613 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -62.3 | -37.9 | 172.8 | -73.9 | -178.5 | 179.3 | -168.8 | 0 | 112.7 | K134 H135 N141 K142 | K134-K138 WeakPolarHBondContact O-CG 3.39Å; K134-K138 PolarHBondContact O-N 3.11Å; H135-K138 PolarHBondContact O-N 3.03Å; K138-N141 PolarHBondContact O-N 3.44Å; K138-K142 PolarHBondContact O-N 3.06Å |
| 139 | S | 56.2 | Low | 58.2 | Low | 67 Ų | 67 | 130.6 Ų | 130.6 | 47% | 0.469 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -67.5 | -36.2 | 176.9 | 71.4 | 0 | 0 | 0 | 0 | 112.7 | H135 S136 S137 N141 K142 L143 | H135-S139 PolarHBondContact O-N 3.48Å; S136-S139 PolarHBondContact O-N 3.34Å; S136-S139 PolarHBondContact O-OG 2.78Å; S137-S139 VanDerWaalsContact C-N 3.33Å; S137-S139 PolarHBondContact O-N 3.12Å; S139-N141 VanDerWaalsContact C-N 3.34Å; S139-K142 PolarHBondContact O-N 3.42Å; S139-L143 PolarHBondContact O-N 3.49Å |
| 140 | K | 55.2 | Low | 55.5 | Low | 147 Ų | 147 | 134.8 Ų | 134.8 | 64% | 0.639 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -69.3 | -31 | 173.9 | -72.8 | -172.4 | 176.2 | -173.6 | 0 | 112.8 | S136 S137 | S136-K140 PolarHBondContact O-N 3.25Å; S136-K140 VanDerWaalsContact O-N 3.09Å; S137-K140 PolarHBondContact O-N 2.94Å |
| 141 | N | 54.3 | Low | 52.8 | Low | 115 Ų | 115 | 136 Ų | 136 | 62% | 0.615 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -75.7 | -40.5 | 174.4 | -73.8 | 4.7 | 0 | 0 | 0 | 111.9 | S137 K138 S139 L143 K144 S145 | S137-N141 PolarHBondContact O-N 3.24Å; S137-N141 VanDerWaalsContact O-N 3.09Å; K138-N141 PolarHBondContact O-N 3.44Å; S139-N141 VanDerWaalsContact C-N 3.34Å; N141-L143 PolarHBondContact O-N 3.27Å; N141-K144 PolarHBondContact O-N 3.15Å; N141-K144 VanDerWaalsContact O-N 3.1Å; N141-S145 PolarHBondContact O-N 2.94Å; N141-S145 VanDerWaalsContact O-N 3.08Å |
| 142 | K | 52.5 | Low | 50.3 | Low | 157 Ų | 157 | 138.9 Ų | 138.9 | 68% | 0.683 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -64 | -38.9 | 175.5 | -85 | -168.2 | 172.5 | -168 | 0 | 113.1 | K138 S139 K144 S145 T146 | K138-K142 PolarHBondContact O-N 3.06Å; S139-K142 PolarHBondContact O-N 3.42Å; K142-K144 PolarHBondContact O-N 3.21Å; K142-S145 PolarHBondContact O-N 2.99Å; K142-T146 PolarHBondContact O-N 3.28Å; K142-T146 PolarHBondContact O-OG1 3.48Å |
| 143 | L | 49.8 | Very low | 47.8 | Very low | 159 Ų | 159 | 139 Ų | 139 | 83% | 0.832 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -65.8 | -19.4 | 175.7 | -148 | 86.8 | 0 | 0 | 0 | 112.6 | S139 N141 | S139-L143 PolarHBondContact O-N 3.49Å; N141-L143 PolarHBondContact O-N 3.27Å |
| 144 | K | 46.9 | Very low | 45.3 | Very low | 184 Ų | 184 | 138.4 Ų | 138.4 | 80% | 0.8 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -93.5 | -20.2 | 174.9 | -79.6 | -171.9 | 173.7 | -170.4 | 0 | 114.5 | N141 K142 | N141-K144 PolarHBondContact O-N 3.15Å; N141-K144 VanDerWaalsContact O-N 3.1Å; K142-K144 PolarHBondContact O-N 3.21Å |
| 145 | S | 42.3 | Very low | 42.7 | Very low | 84 Ų | 84 | 141 Ų | 141 | 59% | 0.587 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -113.2 | 16.3 | -175.6 | 97.5 | 0 | 0 | 0 | 0 | 115.1 | N141 K142 R147 | N141-S145 PolarHBondContact O-N 2.94Å; N141-S145 VanDerWaalsContact O-N 3.08Å; K142-S145 PolarHBondContact O-N 2.99Å; S145-R147 PolarHBondContact O-N 3.45Å |
| 146 | T | 33.4 | Very low | 40.3 | Very low | 130 Ų | 130 | 144 Ų | 144 | 80% | 0.798 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -82.8 | 22.1 | 170.5 | -36.2 | 0 | 0 | 0 | 0 | 112 | K142 | K142-T146 PolarHBondContact O-N 3.28Å; K142-T146 PolarHBondContact O-OG1 3.48Å |
| 147 | R | 29.9 | Very low | 37.7 | Very low | 207 Ų | 207 | 150 Ų | 150 | 78% | 0.781 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -126.2 | 118.9 | 167.5 | -160.1 | 175.9 | -175.7 | 163.8 | 2.5 | 105.3 | S145 | S145-R147 PolarHBondContact O-N 3.45Š|
| 148 | E | 28.5 | Very low | 36.1 | Very low | 157 Ų | 157 | 152.6 Ų | 152.6 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | S | Bend | trans | 95.9 | 115.4 | 169 | -64.6 | 158.7 | -151.7 | 0 | 0 | 117.7 | ||
| 149 | T | 25.6 | Very low | 34.4 | Very low | 122 Ų | 122 | 153.8 Ų | 153.8 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | 70 | 109.8 | 146.8 | -0.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 150 | E | 25.2 | Very low | 34 | Very low | 179 Ų | 179 | 155.2 Ų | 155.2 | 84% | 0.836 | 77% | 0.767 | S | S | * | * | 48.8 | 129.2 | 69.5 | -71.6 | -173.6 | 176 | 0 | 0 | 113.5 | |||||
| 151 | E | 24.3 | Very low | 33.1 | Very low | 175 Ų | 175 | 155.3 Ų | 155.3 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | 96.6 | 113.6 | 167.7 | -59 | -172 | 165 | 0 | 0 | 120.3 | ||||
| 152 | E | 23.8 | Very low | 32.5 | Very low | 182 Ų | 182 | 158.2 Ų | 158.2 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | trans | 82.5 | 142.3 | 135 | -74.4 | -170.3 | 163.1 | 0 | 0 | 123.6 | ||||
| 153 | E | 22.7 | Very low | 31.8 | Very low | 171 Ų | 171 | 157.9 Ų | 157.9 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | trans | -54.9 | 146.4 | -176.4 | -64.3 | 170.8 | 141.4 | 0 | 0 | 113.7 | ||||
| 154 | N | 23.9 | Very low | 31.3 | Very low | 165 Ų | 165 | 158.5 Ų | 158.5 | 88% | 0.882 | 77% | 0.772 | S | S | * | * | -177.3 | 104 | 129.2 | -95.4 | -56.5 | 0 | 0 | 0 | 109.7 | |||||
| 155 | E | 22.6 | Very low | 30.9 | Very low | 196 Ų | 196 | 155.4 Ų | 155.4 | 92% | 0.916 | 76% | 0.764 | S | S | * | * | trans | -82 | 122.8 | 155.1 | -74.6 | -171.8 | 145.5 | 0 | 0 | 108.3 | ||||
| 156 | E | 23.7 | Very low | 31.1 | Very low | 179 Ų | 179 | 156.6 Ų | 156.6 | 84% | 0.836 | 76% | 0.763 | S | S | * | * | 158.8 | 127.7 | 114.7 | -154 | 167.1 | -156.1 | 0 | 0 | 112.6 | |||||
| 157 | Q | 22.1 | Very low | 31.5 | Very low | 171 Ų | 171 | 156.2 Ų | 156.2 | 80% | 0.799 | 75% | 0.753 | S | S | * | * | trans | 3.3 | 142.3 | 165.3 | -59.3 | -170.6 | -15.4 | 0 | 0 | 122.2 | ||||
| 158 | P | 30.7 | Very low | 32.2 | Very low | 116 Ų | 116 | 152.8 Ų | 152.8 | 75% | 0.753 | 75% | 0.746 | S | S | * | * | -146.9 | 144.7 | 93.9 | 37.3 | -20.8 | 0 | 0 | 0 | 116 | |||||
| 159 | Q | 29.4 | Very low | 32.6 | Very low | 167 Ų | 167 | 155.1 Ų | 155.1 | 78% | 0.78 | 75% | 0.748 | S | S | * | * | 171.1 | 110.6 | 104.4 | -88.8 | -157.3 | -17.8 | 0 | 0 | 112.9 | Q161 | Q159-Q161 PolarHBondContact O-N 3.43Š| |||
| 160 | P | 46.2 | Very low | 33.4 | Very low | 96 Ų | 96 | 155 Ų | 155 | 62% | 0.623 | 74% | 0.739 | S | S | * | * | trans | -99.2 | 68.9 | -174.5 | 37.5 | -34 | 0 | 0 | 0 | 114.2 | ||||
| 161 | Q | 37.3 | Very low | 34.2 | Very low | 150 Ų | 150 | 153.5 Ų | 153.5 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -117 | -15.2 | 174.3 | -113.6 | 174.9 | -14.6 | 0 | 0 | 115.6 | Q159 | Q159-Q161 PolarHBondContact O-N 3.43Š|
| 162 | Q | 41 | Very low | 35 | Very low | 176 Ų | 176 | 150.5 Ų | 150.5 | 82% | 0.822 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -92.4 | -15.8 | 177.6 | -79 | -176.9 | -6.6 | 0 | 0 | 114.8 | ||
| 163 | E | 38 | Very low | 35.8 | Very low | 150 Ų | 150 | 148.7 Ų | 148.7 | 70% | 0.701 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -82.1 | -28.7 | 179.6 | -101.2 | 172.8 | 163.2 | 0 | 0 | 113.8 | D165 L166 E167 | E163-D165 PolarHBondContact O-N 3Å; E163-L166 PolarHBondContact O-N 2.9Å; E163-E167 PolarHBondContact O-N 3.49Å |
| 164 | R | 40.5 | Very low | 36.8 | Very low | 171 Ų | 171 | 144.9 Ų | 144.9 | 65% | 0.645 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -66.7 | -34.9 | -179 | -85.7 | -164.8 | -85.5 | -178.4 | -6.4 | 113.9 | L166 Q168 | R164-L166 VanDerWaalsContact C-N 3.29Å; R164-L166 PolarHBondContact O-N 3.09Å; R164-Q168 PolarHBondContact O-N 3.48Å |
| 165 | D | 38.3 | Very low | 37.3 | Very low | 119 Ų | 119 | 142.8 Ų | 142.8 | 64% | 0.636 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -71.4 | -24.2 | 178.7 | -74.3 | -16.9 | 0 | 0 | 0 | 113.1 | E163 | E163-D165 PolarHBondContact O-N 3Å |
| 166 | L | 45.4 | Very low | 37.5 | Very low | 109 Ų | 109 | 140.9 Ų | 140.9 | 57% | 0.571 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -81.2 | -36.8 | 179 | -100.5 | 151.7 | 0 | 0 | 0 | 112.2 | E163 R164 Q170 | E163-L166 PolarHBondContact O-N 2.9Å; R164-L166 VanDerWaalsContact C-N 3.29Å; R164-L166 PolarHBondContact O-N 3.09Å; L166-Q170 PolarHBondContact O-N 2.91Å |
| 167 | E | 42.8 | Very low | 38.1 | Very low | 123 Ų | 123 | 138.3 Ų | 138.3 | 58% | 0.575 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -70 | -32.9 | 177.5 | -73.1 | -167.6 | 150 | 0 | 0 | 112.8 | E163 Q170 K171 | E163-E167 PolarHBondContact O-N 3.49Å; E167-Q170 PolarHBondContact O-N 2.92Å; E167-K171 PolarHBondContact O-N 3.48Å |
| 168 | Q | 43.2 | Very low | 38.9 | Very low | 135 Ų | 135 | 136.9 Ų | 136.9 | 63% | 0.631 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -71.7 | -37.1 | -179.1 | -145.8 | 157.6 | 4.9 | 0 | 0 | 111.6 | R164 Q170 K171 D172 | R164-Q168 PolarHBondContact O-N 3.48Å; Q168-Q170 VanDerWaalsContact C-N 3.35Å; Q168-Q170 PolarHBondContact O-N 3.29Å; Q168-K171 PolarHBondContact O-N 2.89Å; Q168-D172 PolarHBondContact O-N 2.86Å |
| 169 | R | 38.3 | Very low | 39.1 | Very low | 206 Ų | 206 | 137.9 Ų | 137.9 | 78% | 0.777 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -66.6 | -31.4 | 172.4 | -79.6 | -171.1 | 173.7 | -157.9 | -1 | 113.9 | E173 | R169-E173 PolarHBondContact O-N 3.22Å |
| 170 | Q | 41.1 | Very low | 39.4 | Very low | 120 Ų | 120 | 136.8 Ų | 136.8 | 56% | 0.561 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -76 | -29.2 | 178.9 | -74.1 | -176.9 | 19.2 | 0 | 0 | 112.8 | L166 E167 Q168 V174 | L166-Q170 PolarHBondContact O-N 2.91Å; E167-Q170 PolarHBondContact O-N 2.92Å; Q168-Q170 VanDerWaalsContact C-N 3.35Å; Q168-Q170 PolarHBondContact O-N 3.29Å; Q170-V174 VanDerWaalsContact O-CG2 3.28Å; Q170-V174 WeakPolarHBondContact O-CG2 3.4Å; Q170-V174 PolarHBondContact O-N 2.86Å |
| 171 | K | 43 | Very low | 38.7 | Very low | 147 Ų | 147 | 140.5 Ų | 140.5 | 64% | 0.639 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -71.1 | -36.8 | 175.4 | -76.6 | 179.5 | 178.7 | 173.6 | 0 | 112.6 | E167 Q168 E173 V174 L175 | E167-K171 PolarHBondContact O-N 3.48Å; Q168-K171 PolarHBondContact O-N 2.89Å; K171-E173 VanDerWaalsContact C-N 3.33Å; K171-E173 PolarHBondContact O-N 3.13Å; K171-V174 PolarHBondContact O-N 3.42Å; K171-L175 PolarHBondContact O-N 3.41Å |
| 172 | D | 42 | Very low | 38.2 | Very low | 112 Ų | 112 | 139.5 Ų | 139.5 | 60% | 0.599 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -70.1 | -29.9 | 178.4 | -67.7 | -18.8 | 0 | 0 | 0 | 112.4 | Q168 | Q168-D172 PolarHBondContact O-N 2.86Å |
| 173 | E | 39.7 | Very low | 37.7 | Very low | 144 Ų | 144 | 138.7 Ų | 138.7 | 67% | 0.673 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -76.5 | -34.4 | 177.5 | -152.8 | 170 | -164.8 | 0 | 0 | 112 | R169 K171 L175 H176 | R169-E173 PolarHBondContact O-N 3.22Å; K171-E173 VanDerWaalsContact C-N 3.33Å; K171-E173 PolarHBondContact O-N 3.13Å; E173-L175 PolarHBondContact O-N 3.07Å; E173-H176 PolarHBondContact O-N 2.76Å |
| 174 | V | 43.8 | Very low | 37.1 | Very low | 90 Ų | 90 | 137.3 Ų | 137.3 | 55% | 0.545 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -71.3 | -29.3 | 177.8 | 173.9 | 0 | 0 | 0 | 0 | 112.6 | Q170 K171 H176 | Q170-V174 VanDerWaalsContact O-CG2 3.28Å; Q170-V174 WeakPolarHBondContact O-CG2 3.4Å; Q170-V174 PolarHBondContact O-N 2.86Å; K171-V174 PolarHBondContact O-N 3.42Å; V174-H176 VanDerWaalsContact C-N 3.3Å; V174-H176 PolarHBondContact O-N 3.48Å |
| 175 | L | 33.9 | Very low | 36.4 | Very low | 122 Ų | 122 | 134.5 Ų | 134.5 | 64% | 0.639 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -70.9 | -23.5 | 177.1 | -98.2 | 157.8 | 0 | 0 | 0 | 113.2 | K171 E173 | K171-L175 PolarHBondContact O-N 3.41Å; E173-L175 PolarHBondContact O-N 3.07Å |
| 176 | H | 27.6 | Very low | 35.8 | Very low | 156 Ų | 156 | 137.8 Ų | 137.8 | 72% | 0.722 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -87.6 | -25.7 | -177.9 | -110.7 | -23.9 | 0 | 0 | 0 | 114.6 | E173 V174 | E173-H176 PolarHBondContact O-N 2.76Å; V174-H176 VanDerWaalsContact C-N 3.3Å; V174-H176 PolarHBondContact O-N 3.48Å |
| 177 | D | 36.6 | Very low | 35 | Very low | 125 Ų | 125 | 140.6 Ų | 140.6 | 67% | 0.668 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -86.3 | -18.9 | -178.4 | -85.6 | -18.9 | 0 | 0 | 0 | 114.2 | N179 | D177-N179 VanDerWaalsContact C-N 3.31Å; D177-N179 PolarHBondContact O-N 2.83Å |
| 178 | Q | 37.8 | Very low | 34 | Very low | 140 Ų | 140 | 145 Ų | 145 | 65% | 0.654 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | -15.6 | -178.8 | -78.2 | -172 | -5.1 | 0 | 0 | 115.1 | N180 | Q178-N180 PolarHBondContact O-N 3.11Š|
| 179 | N | 34.5 | Very low | 33.4 | Very low | 137 Ų | 137 | 144.8 Ų | 144.8 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -1.4 | -177.3 | -74.2 | -19 | 0 | 0 | 0 | 114.7 | D177 | D177-N179 VanDerWaalsContact C-N 3.31Å; D177-N179 PolarHBondContact O-N 2.83Å |
| 180 | N | 36.4 | Very low | 32.7 | Very low | 144 Ų | 144 | 140.3 Ų | 140.3 | 77% | 0.77 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -115.4 | 0.4 | -176.2 | -80.9 | -21.6 | 0 | 0 | 0 | 116.2 | Q178 | Q178-N180 PolarHBondContact O-N 3.11Š|
| 181 | E | 32.3 | Very low | 31.9 | Very low | 175 Ų | 175 | 142 Ų | 142 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -105 | 1.2 | -177.4 | -76.3 | -166.7 | 155.6 | 0 | 0 | 116.2 | I183 | E181-I183 PolarHBondContact O-N 2.91Š|
| 182 | T | 27.1 | Very low | 31.2 | Very low | 128 Ų | 128 | 142.8 Ų | 142.8 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -86 | 4.5 | -177.7 | -37.8 | 0 | 0 | 0 | 0 | 114.8 | ||
| 183 | I | 28.6 | Very low | 30.5 | Very low | 159 Ų | 159 | 144.4 Ų | 144.4 | 82% | 0.815 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -136.1 | 71.9 | 177.8 | -44.9 | 176.2 | 0 | 0 | 0 | 111.5 | E181 | E181-I183 PolarHBondContact O-N 2.91Š|
| 184 | S | 26.4 | Very low | 30 | Very low | 122 Ų | 122 | 143.1 Ų | 143.1 | 85% | 0.853 | 76% | 0.758 | S | S | * | * | trans | -177.1 | 61.6 | 148.6 | -87.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 185 | S | 26.5 | Very low | 29.3 | Very low | 112 Ų | 112 | 144.2 Ų | 144.2 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | trans | -103.3 | 133.6 | 156.8 | -59 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 186 | E | 24.3 | Very low | 29.2 | Very low | 188 Ų | 188 | 145.3 Ų | 145.3 | 88% | 0.879 | 77% | 0.77 | S | S | * | * | trans | 88.3 | 79.1 | 174 | -54.5 | -167.9 | 149 | 0 | 0 | 118.4 | ||||
| 187 | M | 28.7 | Very low | 29.3 | Very low | 168 Ų | 168 | 141 Ų | 141 | 83% | 0.828 | 76% | 0.758 | S | S | * | * | -148.4 | 88.4 | 124.5 | -77.5 | -160.5 | 104.1 | 0 | 0 | 109.6 | L189 | M187-L189 HydrophobicContact CE-CD1 3.74Å; M187-L189 PolarHBondContact O-N 3.31Å | |||
| 188 | K | 23.2 | Very low | 29.5 | Very low | 214 Ų | 214 | 139.8 Ų | 139.8 | 93% | 0.93 | 76% | 0.757 | S | S | * | * | trans | -71 | 100 | 157.5 | -88.8 | 175.7 | 174.2 | 172.2 | 0 | 107.8 | ||||
| 189 | L | 28.8 | Very low | 29.1 | Very low | 132 Ų | 132 | 142 Ų | 142 | 69% | 0.691 | 76% | 0.764 | S | S | * | * | trans | -127.7 | 94 | 163.9 | -92.6 | 163.8 | 0 | 0 | 0 | 110.3 | M187 | M187-L189 HydrophobicContact CE-CD1 3.74Å; M187-L189 PolarHBondContact O-N 3.31Å | ||
| 190 | T | 23.7 | Very low | 28.9 | Very low | 111 Ų | 111 | 141.9 Ų | 141.9 | 68% | 0.681 | 76% | 0.763 | S | S | * | * | trans | 4.6 | 116.1 | 146.5 | 38.8 | 0 | 0 | 0 | 0 | 119.2 | Q192 | T190-Q192 PolarHBondContact O-N 3.33Š| ||
| 191 | N | 26 | Very low | 28.6 | Very low | 155 Ų | 155 | 140.1 Ų | 140.1 | 83% | 0.829 | 76% | 0.76 | S | S | * | * | trans | 19.9 | 90.5 | 136.4 | -67.2 | -24.3 | 0 | 0 | 0 | 117.2 | ||||
| 192 | Q | 26.7 | Very low | 28.5 | Very low | 165 Ų | 165 | 138.2 Ų | 138.2 | 77% | 0.771 | 76% | 0.76 | S | S | * | * | trans | -122.2 | 102 | 149.6 | -67.5 | -168.6 | 17.9 | 0 | 0 | 108.2 | T190 | T190-Q192 PolarHBondContact O-N 3.33Š| ||
| 193 | L | 27.2 | Very low | 28.6 | Very low | 145 Ų | 145 | 139.5 Ų | 139.5 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | trans | -55 | 131.6 | 171.4 | -88.7 | 88.6 | 0 | 0 | 0 | 109.4 | V195 | L193-V195 PolarHBondContact O-N 2.92Š| ||
| 194 | P | 29.3 | Very low | 28.6 | Very low | 117 Ų | 117 | 141.6 Ų | 141.6 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | trans | -68.3 | 107 | 171.4 | -9.4 | 24.2 | 0 | 0 | 0 | 108.6 | L196 | P194-L196 VanDerWaalsContact C-N 3.34Å; P194-L196 PolarHBondContact O-N 3.18Å | ||
| 195 | V | 29 | Very low | 28.8 | Very low | 114 Ų | 114 | 141 Ų | 141 | 69% | 0.691 | 75% | 0.754 | S | S | * | * | trans | -63.9 | 97.9 | 167.5 | 177.6 | 0 | 0 | 0 | 0 | 107.5 | L193 S197 | L193-V195 PolarHBondContact O-N 2.92Å; V195-S197 PolarHBondContact O-N 2.91Å | ||
| 196 | L | 31.8 | Very low | 28.8 | Very low | 145 Ų | 145 | 142.8 Ų | 142.8 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | trans | -53.5 | 115.3 | 173.8 | -90 | 135.7 | 0 | 0 | 0 | 109.7 | P194 | P194-L196 VanDerWaalsContact C-N 3.34Å; P194-L196 PolarHBondContact O-N 3.18Å | ||
| 197 | S | 30.2 | Very low | 29 | Very low | 66 Ų | 66 | 142.1 Ų | 142.1 | 46% | 0.462 | 75% | 0.751 | S | S | . | * | trans | -61.5 | 135.1 | 177.4 | 59.3 | 0 | 0 | 0 | 0 | 110.8 | V195 F199 | V195-S197 PolarHBondContact O-N 2.91Å; S197-F199 PolarHBondContact O-N 2.89Å | ||
| 198 | P | 39.8 | Very low | 29.1 | Very low | 99 Ų | 99 | 141.4 Ų | 141.4 | 64% | 0.643 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | 6.2 | -173.3 | 27.6 | -34.1 | 0 | 0 | 0 | 115.9 | ||
| 199 | F | 31.2 | Very low | 29.4 | Very low | 185 Ų | 185 | 136.4 Ų | 136.4 | 81% | 0.811 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116 | 7.4 | -169.8 | -68.6 | -71.2 | 0 | 0 | 0 | 115.9 | S197 | S197-F199 PolarHBondContact O-N 2.89Š|
| 200 | L | 28.9 | Very low | 29.4 | Very low | 135 Ų | 135 | 134.3 Ų | 134.3 | 71% | 0.707 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -104 | 124.4 | 174 | -76.9 | 162.2 | 0 | 0 | 0 | 110.4 | V202 | L200-V202 PolarHBondContact O-N 2.83Š|
| 201 | P | 29.8 | Very low | 29.5 | Very low | 108 Ų | 108 | 137 Ų | 137 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | trans | -64 | 131.5 | 170.8 | 25 | -29.7 | 0 | 0 | 0 | 109.5 | I203 | P201-I203 PolarHBondContact O-N 3.11Š| ||
| 202 | V | 32.1 | Very low | 29.5 | Very low | 135 Ų | 135 | 135.7 Ų | 135.7 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | trans | -66.9 | 98.6 | 171 | 177.8 | 0 | 0 | 0 | 0 | 107.1 | L200 R204 | L200-V202 PolarHBondContact O-N 2.83Å; V202-R204 PolarHBondContact O-N 3.37Å | ||
| 203 | I | 27.7 | Very low | 29.7 | Very low | 154 Ų | 154 | 133.2 Ų | 133.2 | 79% | 0.79 | 74% | 0.741 | S | S | * | * | trans | -66.6 | 104.9 | 174.2 | -58.3 | 173.7 | 0 | 0 | 0 | 106.8 | P201 S205 | P201-I203 PolarHBondContact O-N 3.11Å; I203-S205 PolarHBondContact O-N 3.36Å | ||
| 204 | R | 28.9 | Very low | 29.7 | Very low | 204 Ų | 204 | 133.9 Ų | 133.9 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | trans | -70.7 | 116.9 | 169.7 | -69.3 | -169.7 | 177.4 | -175.6 | 0.6 | 107.3 | V202 N206 | V202-R204 PolarHBondContact O-N 3.37Å; R204-N206 PolarHBondContact O-N 2.91Å | ||
| 205 | S | 30.2 | Very low | 29.7 | Very low | 110 Ų | 110 | 139.6 Ų | 139.6 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | 30.9 | -175.2 | 53.6 | 0 | 0 | 0 | 0 | 115 | I203 | I203-S205 PolarHBondContact O-N 3.36Š|
| 206 | N | 27.2 | Very low | 29.6 | Very low | 149 Ų | 149 | 141.2 Ų | 141.2 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117 | 2.9 | -177.1 | -73.6 | 17.7 | 0 | 0 | 0 | 115 | R204 | R204-N206 PolarHBondContact O-N 2.91Š|
| 207 | E | 28.1 | Very low | 29.4 | Very low | 173 Ų | 173 | 139.8 Ų | 139.8 | 81% | 0.808 | 75% | 0.754 | S | S | * | * | trans | -110.5 | 97.2 | 166.5 | -89.7 | 177.8 | 155.6 | 0 | 0 | 109.4 | V209 | E207-V209 HydrophobicContact CB-CG2 4.32Å; E207-V209 PolarHBondContact O-N 3.3Å | ||
| 208 | I | 31.6 | Very low | 29.2 | Very low | 154 Ų | 154 | 142.1 Ų | 142.1 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | trans | -67 | 89.5 | 161 | -60.5 | 168.5 | 0 | 0 | 0 | 105.4 | S210 | I208-S210 VanDerWaalsContact C-N 3.26Å; I208-S210 PolarHBondContact O-N 2.95Å | ||
| 209 | V | 29.1 | Very low | 28.5 | Very low | 108 Ų | 108 | 146.1 Ų | 146.1 | 66% | 0.655 | 78% | 0.775 | S | S | * | * | trans | -75.5 | 90.1 | 167 | -178.3 | 0 | 0 | 0 | 0 | 106.3 | E207 L211 | E207-V209 HydrophobicContact CB-CG2 4.32Å; E207-V209 PolarHBondContact O-N 3.3Å; V209-L211 PolarHBondContact O-N 2.82Å | ||
| 210 | S | 28.1 | Very low | 28.3 | Very low | 89 Ų | 89 | 142.4 Ų | 142.4 | 62% | 0.622 | 77% | 0.772 | S | S | * | * | trans | -62.5 | 103.5 | 170.8 | -60.5 | 0 | 0 | 0 | 0 | 108.8 | I208 T212 | I208-S210 VanDerWaalsContact C-N 3.26Å; I208-S210 PolarHBondContact O-N 2.95Å; S210-T212 PolarHBondContact O-N 3.44Å | ||
| 211 | L | 27.1 | Very low | 28 | Very low | 166 Ų | 166 | 142.3 Ų | 142.3 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -74.4 | 46.5 | 174.7 | -81.5 | 159 | 0 | 0 | 0 | 111.8 | V209 | V209-L211 PolarHBondContact O-N 2.82Š|
| 212 | T | 26.4 | Very low | 27.8 | Very low | 129 Ų | 129 | 144.5 Ų | 144.5 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | -153.6 | 78.7 | 171.3 | 50.8 | 0 | 0 | 0 | 0 | 110.8 | S210 | S210-T212 PolarHBondContact O-N 3.44Š| ||
| 213 | S | 30 | Very low | 27.4 | Very low | 113 Ų | 113 | 146.3 Ų | 146.3 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | -164.6 | 111.1 | 152.3 | -177.2 | 0 | 0 | 0 | 0 | 110.7 | R215 | S213-R215 PolarHBondContact O-N 3.11Š| ||
| 214 | N | 28.3 | Very low | 27.2 | Very low | 158 Ų | 158 | 146.9 Ų | 146.9 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | trans | -62.5 | 123.1 | 162.5 | -69.1 | -33.1 | 0 | 0 | 0 | 109 | ||||
| 215 | R | 28.2 | Very low | 27 | Very low | 237 Ų | 237 | 141 Ų | 141 | 89% | 0.894 | 78% | 0.778 | S | S | * | * | trans | -171.9 | 103.8 | 139.8 | -105.6 | 166.5 | -172.1 | -172.5 | 2.6 | 112.4 | S213 | S213-R215 PolarHBondContact O-N 3.11Š| ||
| 216 | N | 27.9 | Very low | 26.7 | Very low | 149 Ų | 149 | 144.4 Ų | 144.4 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | -0.1 | 121.1 | 133.1 | -64.9 | -10.7 | 0 | 0 | 0 | 117.1 | ||||
| 217 | T | 26.5 | Very low | 26.6 | Very low | 115 Ų | 115 | 147.2 Ų | 147.2 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | 71.7 | 115.5 | 130.3 | -21.3 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 218 | T | 25.7 | Very low | 26.4 | Very low | 114 Ų | 114 | 147.4 Ų | 147.4 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | trans | 70.5 | 110.8 | 144 | 49.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 219 | E | 25.7 | Very low | 26 | Very low | 183 Ų | 183 | 149.9 Ų | 149.9 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | 59 | 100.3 | 127.7 | -64.9 | 179.8 | 173.1 | 0 | 0 | 120.8 | |||||
| 220 | S | 26.7 | Very low | 25.7 | Very low | 107 Ų | 107 | 147.6 Ų | 147.6 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | 170.3 | 103.7 | 126.7 | 44.1 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 221 | V | 23.2 | Very low | 25.5 | Very low | 134 Ų | 134 | 152 Ų | 152 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | 35.5 | 79.8 | 95.1 | -167.9 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 222 | I | 26.2 | Very low | 25.7 | Very low | 154 Ų | 154 | 151 Ų | 151 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | trans | -141 | 86.4 | 144.4 | -56.8 | -179 | 0 | 0 | 0 | 105.1 | ||||
| 223 | K | 22 | Very low | 25.6 | Very low | 172 Ų | 172 | 151.7 Ų | 151.7 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | 35 | 103.5 | 103.4 | -80.8 | -170.4 | 176.4 | -177.9 | 0 | 114 | A225 | K223-A225 PolarHBondContact O-N 2.82Š| |||
| 224 | D | 23.9 | Very low | 25.7 | Very low | 166 Ų | 166 | 151.2 Ų | 151.2 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | trans | 36.4 | 77.9 | 138.3 | -56.2 | -28.8 | 0 | 0 | 0 | 116.1 | ||||
| 225 | A | 25.2 | Very low | 25.8 | Very low | 81 Ų | 81 | 152.2 Ų | 152.2 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | trans | -116.7 | 109.5 | 155 | 0 | 0 | 0 | 0 | 0 | 108.4 | K223 F227 | K223-A225 PolarHBondContact O-N 2.82Å; A225-F227 PolarHBondContact O-N 3.08Å | ||
| 226 | E | 22.8 | Very low | 26 | Very low | 182 Ų | 182 | 148.2 Ų | 148.2 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | trans | -39.7 | 94.8 | 168.2 | -60.3 | 172.1 | 149.1 | 0 | 0 | 112.4 | K228 | E226-K228 PolarHBondContact O-N 3.35Š| ||
| 227 | F | 26.1 | Very low | 26.3 | Very low | 207 Ų | 207 | 148.7 Ų | 148.7 | 91% | 0.908 | 78% | 0.784 | S | S | * | * | trans | -85.8 | 93.6 | 165.2 | -113.2 | -87.5 | 0 | 0 | 0 | 109.4 | A225 Q229 | A225-F227 PolarHBondContact O-N 3.08Å; F227-Q229 PolarHBondContact O-N 3.41Å | ||
| 228 | K | 24.1 | Very low | 26.6 | Very low | 177 Ų | 177 | 152.2 Ų | 152.2 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | trans | -51.3 | 121.7 | 165.6 | -67.8 | -166.8 | 174.8 | -177.2 | 0 | 110.6 | E226 G230 | E226-K228 PolarHBondContact O-N 3.35Å; K228-G230 PolarHBondContact O-N 3.36Å | ||
| 229 | Q | 23.1 | Very low | 26.9 | Very low | 206 Ų | 206 | 152.1 Ų | 152.1 | 96% | 0.963 | 79% | 0.791 | S | S | * | * | trans | 24.7 | 71.3 | 131.5 | -145.5 | 164.3 | 21.9 | 0 | 0 | 115.7 | F227 | F227-Q229 PolarHBondContact O-N 3.41Š| ||
| 230 | G | 22.8 | Very low | 27.5 | Very low | 60 Ų | 60 | 148.6 Ų | 148.6 | 62% | 0.619 | 78% | 0.778 | S | S | * | * | trans | -119.9 | 120 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109 | K228 I232 | K228-G230 PolarHBondContact O-N 3.36Å; G230-I232 PolarHBondContact O-N 2.87Å | ||
| 231 | Q | 23.9 | Very low | 27.9 | Very low | 182 Ų | 182 | 149 Ų | 149 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | trans | -46.6 | 114.5 | 178.9 | -70.3 | 162.4 | -33.6 | 0 | 0 | 112 | ||||
| 232 | I | 30.3 | Very low | 28.9 | Very low | 144 Ų | 144 | 146.5 Ų | 146.5 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | trans | -107.6 | 97.1 | 159 | -49.1 | 176.1 | 0 | 0 | 0 | 105.7 | G230 T234 | G230-I232 PolarHBondContact O-N 2.87Å; I232-T234 HydrophobicContact CG2-CG2 3.94Å; I232-T234 PolarHBondContact O-N 3.49Å | ||
| 233 | N | 25.6 | Very low | 29.6 | Very low | 144 Ų | 144 | 142.6 Ų | 142.6 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | trans | -68.4 | 76.2 | 164.5 | -70.2 | -25.7 | 0 | 0 | 0 | 108 | E235 | N233-E235 PolarHBondContact O-N 3.04Å; N233-E235 VanDerWaalsContact O-N 3.08Å | ||
| 234 | T | 32.3 | Very low | 29.9 | Very low | 103 Ų | 103 | 143.1 Ų | 143.1 | 63% | 0.632 | 74% | 0.743 | S | S | * | * | trans | -76.7 | 86.3 | 158.8 | 38.8 | 0 | 0 | 0 | 0 | 106.8 | I232 L236 | I232-T234 HydrophobicContact CG2-CG2 3.94Å; I232-T234 PolarHBondContact O-N 3.49Å; T234-L236 PolarHBondContact O-N 3.27Å | ||
| 235 | E | 30.1 | Very low | 30.4 | Very low | 179 Ų | 179 | 139.9 Ų | 139.9 | 84% | 0.836 | 73% | 0.725 | S | S | * | * | trans | -54.7 | 97.6 | 151.4 | -70.4 | -173.3 | 164.9 | 0 | 0 | 106.2 | N233 I237 | N233-E235 PolarHBondContact O-N 3.04Å; N233-E235 VanDerWaalsContact O-N 3.08Å; E235-I237 PolarHBondContact O-N 2.92Å | ||
| 236 | L | 32.8 | Very low | 31.1 | Very low | 154 Ų | 154 | 143.4 Ų | 143.4 | 81% | 0.806 | 73% | 0.728 | S | S | * | * | trans | -55.2 | 107.3 | 171.8 | -88.7 | 109.8 | 0 | 0 | 0 | 107 | T234 K238 | T234-L236 PolarHBondContact O-N 3.27Å; L236-K238 PolarHBondContact O-N 3.42Å | ||
| 237 | I | 34.2 | Very low | 32 | Very low | 159 Ų | 159 | 139.8 Ų | 139.8 | 82% | 0.815 | 72% | 0.718 | S | S | * | * | trans | -49.9 | 110.8 | 169 | -64.6 | 165.9 | 0 | 0 | 0 | 106.3 | E235 P239 | E235-I237 PolarHBondContact O-N 2.92Å; I237-P239 WeakPolarHBondContact O-CD 3.35Å | ||
| 238 | K | 32 | Very low | 32.5 | Very low | 189 Ų | 189 | 134.7 Ų | 134.7 | 82% | 0.822 | 70% | 0.699 | S | S | * | * | trans | -59.2 | 121.5 | 175.8 | -77.4 | 176.7 | 178.8 | 173.1 | 0 | 107.3 | L236 N240 | L236-K238 PolarHBondContact O-N 3.42Å; K238-N240 PolarHBondContact O-N 3.49Å | ||
| 239 | P | 31.8 | Very low | 33 | Very low | 111 Ų | 111 | 132.9 Ų | 132.9 | 72% | 0.721 | 70% | 0.698 | S | S | * | * | trans | -60.7 | 130.1 | 175 | 23.4 | -30.7 | 0 | 0 | 0 | 108.9 | I237 I241 | I237-P239 WeakPolarHBondContact O-CD 3.35Å; P239-I241 PolarHBondContact O-N 3.4Å | ||
| 240 | N | 38.9 | Very low | 33.4 | Very low | 110 Ų | 110 | 132 Ų | 132 | 59% | 0.588 | 69% | 0.694 | S | S | * | * | trans | -73.3 | 95.5 | 178.5 | -172.8 | 0.4 | 0 | 0 | 0 | 109 | K238 S242 S243 | K238-N240 PolarHBondContact O-N 3.49Å; N240-S242 PolarHBondContact O-N 3.16Å; N240-S242 PolarHBondContact OD1-N 2.91Å; N240-S243 PolarHBondContact O-N 2.91Å | ||
| 241 | I | 35.7 | Very low | 33.7 | Very low | 115 Ų | 115 | 132.3 Ų | 132.3 | 59% | 0.59 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -61.3 | -27.6 | -176.3 | -62.9 | 162.5 | 0 | 0 | 0 | 111.6 | P239 S243 W244 L245 | P239-I241 PolarHBondContact O-N 3.4Å; I241-S243 VanDerWaalsContact C-N 3.34Å; I241-S243 PolarHBondContact O-N 2.89Å; I241-W244 PolarHBondContact O-N 2.98Å; I241-W244 VanDerWaalsContact O-N 3.17Å; I241-L245 HydrophobicContact CG2-CD1 3.87Å; I241-L245 HydrophobicContact CG2-CG 4.44Å; I241-L245 PolarHBondContact O-N 3.36Å |
| 242 | S | 42.3 | Very low | 33.9 | Very low | 82 Ų | 82 | 132.6 Ų | 132.6 | 57% | 0.573 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -62.4 | -38.5 | -176.3 | -56.2 | 0 | 0 | 0 | 0 | 112.8 | N240 W244 L245 E246 | N240-S242 PolarHBondContact O-N 3.16Å; N240-S242 PolarHBondContact OD1-N 2.91Å; S242-W244 VanDerWaalsContact C-N 3.28Å; S242-W244 PolarHBondContact O-N 3.44Å; S242-L245 PolarHBondContact O-N 2.92Å; S242-E246 PolarHBondContact O-N 3.25Å |
| 243 | S | 42.2 | Very low | 33.7 | Very low | 71 Ų | 71 | 133.2 Ų | 133.2 | 50% | 0.497 | 70% | 0.704 | S | S | . | * | H | α-helix | trans | -69.6 | -25.6 | 179.2 | -43.3 | 0 | 0 | 0 | 0 | 113.2 | N240 I241 T247 | N240-S243 PolarHBondContact O-N 2.91Å; I241-S243 VanDerWaalsContact C-N 3.34Å; I241-S243 PolarHBondContact O-N 2.89Å; S243-T247 PolarHBondContact O-OG1 3.34Å |
| 244 | W | 28.2 | Very low | 33.8 | Very low | 184 Ų | 184 | 134.4 Ų | 134.4 | 70% | 0.697 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -86.3 | -28.1 | -178.4 | -161.4 | 67.6 | 0 | 0 | 0 | 112.4 | I241 S242 T247 I248 | I241-W244 PolarHBondContact O-N 2.98Å; I241-W244 VanDerWaalsContact O-N 3.17Å; S242-W244 VanDerWaalsContact C-N 3.28Å; S242-W244 PolarHBondContact O-N 3.44Å; W244-T247 PolarHBondContact O-OG1 3.48Å; W244-I248 HydrophobicContact CE3-CD1 4.23Å; W244-I248 HydrophobicContact CH2-CD1 4.32Å; W244-I248 HydrophobicContact CZ3-CD1 4.11Å |
| 245 | L | 33.4 | Very low | 33.5 | Very low | 97 Ų | 97 | 133.7 Ų | 133.7 | 51% | 0.508 | 72% | 0.715 | S | S | . | * | H | α-helix | trans | -75.9 | -32 | 174.6 | -82.4 | 165 | 0 | 0 | 0 | 112.7 | I241 S242 T247 I248 | I241-L245 HydrophobicContact CG2-CD1 3.87Å; I241-L245 HydrophobicContact CG2-CG 4.44Å; I241-L245 PolarHBondContact O-N 3.36Å; S242-L245 PolarHBondContact O-N 2.92Å; L245-T247 PolarHBondContact O-N 2.88Å; L245-I248 PolarHBondContact O-N 3.3Å |
| 246 | E | 40.1 | Very low | 33.2 | Very low | 155 Ų | 155 | 132.2 Ų | 132.2 | 72% | 0.724 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -62.2 | -30.9 | 175.2 | -82.2 | -179.7 | 164.4 | 0 | 0 | 112.5 | S242 I248 | S242-E246 PolarHBondContact O-N 3.25Å; E246-I248 VanDerWaalsContact C-N 3.29Å; E246-I248 PolarHBondContact O-N 2.91Å |
| 247 | T | 41.2 | Very low | 33.2 | Very low | 106 Ų | 106 | 133.1 Ų | 133.1 | 65% | 0.65 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -10.1 | -179.1 | 12.1 | 0 | 0 | 0 | 0 | 114.4 | S243 W244 L245 | S243-T247 PolarHBondContact O-OG1 3.34Å; W244-T247 PolarHBondContact O-OG1 3.48Å; L245-T247 PolarHBondContact O-N 2.88Å |
| 248 | I | 37.6 | Very low | 32.7 | Very low | 100 Ų | 100 | 134.7 Ų | 134.7 | 51% | 0.513 | 72% | 0.722 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.6 | -19 | -176.9 | -61.5 | 175.6 | 0 | 0 | 0 | 112.1 | W244 L245 E246 | W244-I248 HydrophobicContact CE3-CD1 4.23Å; W244-I248 HydrophobicContact CH2-CD1 4.32Å; W244-I248 HydrophobicContact CZ3-CD1 4.11Å; L245-I248 PolarHBondContact O-N 3.3Å; E246-I248 VanDerWaalsContact C-N 3.29Å; E246-I248 PolarHBondContact O-N 2.91Å |
| 249 | N | 33.6 | Very low | 32.3 | Very low | 140 Ų | 140 | 134.9 Ų | 134.9 | 75% | 0.749 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -93.1 | 6.2 | -176.4 | -73.6 | -21.5 | 0 | 0 | 0 | 115 | G251 | N249-G251 PolarHBondContact O-N 3.49Š|
| 250 | E | 31.7 | Very low | 31.9 | Very low | 187 Ų | 187 | 133.9 Ų | 133.9 | 87% | 0.874 | 73% | 0.727 | S | S | * | * | trans | -97.6 | 80 | 168.6 | -68.9 | -167.3 | 174.8 | 0 | 0 | 110.5 | ||||
| 251 | G | 29 | Very low | 31.3 | Very low | 67 Ų | 67 | 134.7 Ų | 134.7 | 69% | 0.691 | 74% | 0.738 | S | S | * | * | trans | -164.5 | 61.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | N249 | N249-G251 PolarHBondContact O-N 3.49Š| ||
| 252 | E | 28.5 | Very low | 30.7 | Very low | 187 Ų | 187 | 138.6 Ų | 138.6 | 87% | 0.874 | 75% | 0.751 | S | S | * | * | trans | -54.9 | 141.8 | 178.9 | -75.2 | -178.3 | 145.2 | 0 | 0 | 113.3 | N254 | E252-N254 PolarHBondContact O-N 2.9Š| ||
| 253 | D | 26 | Very low | 29.9 | Very low | 158 Ų | 158 | 140.8 Ų | 140.8 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | trans | -56 | 112.7 | 175.2 | -70.5 | -52.6 | 0 | 0 | 0 | 112.6 | A255 | D253-A255 PolarHBondContact O-N 3.28Š| ||
| 254 | N | 28.6 | Very low | 29.2 | Very low | 168 Ų | 168 | 143.2 Ų | 143.2 | 90% | 0.898 | 78% | 0.78 | S | S | * | * | trans | -83.8 | 88.8 | 160.4 | -81 | -62.9 | 0 | 0 | 0 | 109.5 | E252 N256 | E252-N254 PolarHBondContact O-N 2.9Å; N254-N256 PolarHBondContact O-N 2.81Å | ||
| 255 | A | 24.9 | Very low | 29 | Very low | 89 Ų | 89 | 143.8 Ų | 143.8 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | trans | -77.9 | 86.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | D253 | D253-A255 PolarHBondContact O-N 3.28Š| ||
| 256 | N | 25.5 | Very low | 28.6 | Very low | 147 Ų | 147 | 146.6 Ų | 146.6 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | trans | -176.3 | 99.4 | 150 | -108.1 | -21.9 | 0 | 0 | 0 | 109.9 | N254 | N254-N256 PolarHBondContact O-N 2.81Š| ||
| 257 | D | 31 | Very low | 27.8 | Very low | 173 Ų | 173 | 145.4 Ų | 145.4 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | trans | -169 | 58.4 | 150.1 | -89.1 | -24 | 0 | 0 | 0 | 107.2 | ||||
| 258 | Q | 23.8 | Very low | 27.1 | Very low | 192 Ų | 192 | 146.2 Ų | 146.2 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | trans | -100.9 | 98.9 | 158.1 | -78.7 | -160.2 | 13.5 | 0 | 0 | 107.9 | ||||
| 259 | E | 23.5 | Very low | 27.1 | Very low | 193 Ų | 193 | 146.9 Ų | 146.9 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | trans | -140.1 | 105.6 | 148.1 | -125.3 | -176.4 | -179.6 | 0 | 0 | 109.4 | ||||
| 260 | A | 23.7 | Very low | 26.7 | Very low | 91 Ų | 91 | 146.6 Ų | 146.6 | 75% | 0.752 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 126.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | K262 | A260-K262 PolarHBondContact O-N 3.47Š|
| 261 | P | 26.8 | Very low | 26.6 | Very low | 127 Ų | 127 | 142.4 Ų | 142.4 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 119.2 | 174.7 | 22.4 | -19.4 | 0 | 0 | 0 | 110.2 | ||
| 262 | K | 23.1 | Very low | 26.8 | Very low | 196 Ų | 196 | 147 Ų | 147 | 85% | 0.852 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 137.4 | 169.6 | -77 | 173.6 | 177.5 | 170 | 0 | 110.4 | A260 | A260-K262 PolarHBondContact O-N 3.47Š|
| 263 | P | 26.3 | Very low | 27 | Very low | 128 Ų | 128 | 146.4 Ų | 146.4 | 83% | 0.831 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 116.5 | -179.7 | 31.9 | -30.5 | 0 | 0 | 0 | 111 | ||
| 264 | S | 26.8 | Very low | 27.2 | Very low | 123 Ų | 123 | 145.5 Ų | 145.5 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 132.7 | 168.1 | 44.2 | 0 | 0 | 0 | 0 | 111 | ||
| 265 | K | 22.9 | Very low | 27.5 | Very low | 196 Ų | 196 | 144.6 Ų | 144.6 | 85% | 0.852 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 150.2 | -178.9 | -61.8 | 165.9 | 176 | 176.9 | 0 | 111.8 | ||
| 266 | L | 25.4 | Very low | 27.8 | Very low | 155 Ų | 155 | 148.7 Ų | 148.7 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | trans | 172.6 | 134.2 | 152 | -85.6 | 145.8 | 0 | 0 | 0 | 104.6 | ||||
| 267 | D | 24.4 | Very low | 28.2 | Very low | 130 Ų | 130 | 148.6 Ų | 148.6 | 70% | 0.695 | 81% | 0.808 | S | S | * | * | cis | -168.7 | 133 | -0.8 | -114.9 | -2.1 | 0 | 0 | 0 | 108.5 | ||||
| 268 | T | 26.1 | Very low | 28.4 | Very low | 124 Ų | 124 | 144.5 Ų | 144.5 | 76% | 0.761 | 79% | 0.793 | S | S | * | * | trans | 61 | 163.6 | 139.6 | 7 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 269 | P | 36.6 | Very low | 29 | Very low | 114 Ų | 114 | 143.6 Ų | 143.6 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | -123.6 | 160.3 | -123.4 | 34.2 | -12.2 | 0 | 0 | 0 | 114.1 | |||||
| 270 | C | 26.2 | Very low | 29.4 | Very low | 133 Ų | 133 | 144.5 Ų | 144.5 | 90% | 0.899 | 78% | 0.783 | S | S | * | * | trans | -138.4 | 116.8 | 166.5 | -119.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 271 | S | 29.2 | Very low | 30 | Very low | 99 Ų | 99 | 144.8 Ų | 144.8 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | trans | 74.9 | 102.9 | 140.2 | -151.8 | 0 | 0 | 0 | 0 | 119.7 | Q273 | S271-Q273 PolarHBondContact O-N 3.49Å; S271-Q273 VanDerWaalsContact O-N 3.11Å | ||
| 272 | I | 33.4 | Very low | 30.6 | Very low | 164 Ų | 164 | 144.1 Ų | 144.1 | 84% | 0.841 | 77% | 0.768 | S | S | * | * | trans | -59.8 | 95.7 | 157.7 | -60.4 | 160.2 | 0 | 0 | 0 | 108.3 | ||||
| 273 | Q | 32 | Very low | 31.3 | Very low | 174 Ų | 174 | 140.3 Ų | 140.3 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | trans | -150.9 | 7.5 | 161.8 | -113.7 | 174.1 | 22.3 | 0 | 0 | 115.6 | S271 | S271-Q273 PolarHBondContact O-N 3.49Å; S271-Q273 VanDerWaalsContact O-N 3.11Å | ||
| 274 | H | 31 | Very low | 31.9 | Very low | 140 Ų | 140 | 142.3 Ų | 142.3 | 65% | 0.648 | 76% | 0.763 | S | S | * | * | trans | -108.6 | 10.7 | 179.7 | -119.1 | -80.3 | 0 | 0 | 0 | 115.7 | L276 Q277 | H274-L276 PolarHBondContact O-N 3.21Å; H274-Q277 PolarHBondContact CE1-OE1 3.41Å | ||
| 275 | L | 35.8 | Very low | 33 | Very low | 149 Ų | 149 | 143.3 Ų | 143.3 | 78% | 0.78 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -10.9 | -175.9 | -156.7 | 71.6 | 0 | 0 | 0 | 114.3 | ||
| 276 | L | 30.4 | Very low | 34.4 | Very low | 175 Ų | 175 | 137.5 Ų | 137.5 | 92% | 0.916 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | 1.5 | -176.9 | -77.5 | 165.7 | 0 | 0 | 0 | 116 | H274 | H274-L276 PolarHBondContact O-N 3.21Š|
| 277 | Q | 33.3 | Very low | 35.7 | Very low | 144 Ų | 144 | 137.3 Ų | 137.3 | 67% | 0.673 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -99.1 | 7.7 | 171.7 | -75.4 | -169.4 | -0.1 | 0 | 0 | 114.2 | H274 K279 | H274-Q277 PolarHBondContact CE1-OE1 3.41Å; Q277-K279 PolarHBondContact O-N 3.03Å |
| 278 | S | 35.6 | Very low | 37.2 | Very low | 88 Ų | 88 | 135.4 Ų | 135.4 | 62% | 0.615 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -84 | -3.9 | -174 | 77.7 | 0 | 0 | 0 | 0 | 116 | ||
| 279 | K | 37.5 | Very low | 38.6 | Very low | 173 Ų | 173 | 136.8 Ų | 136.8 | 75% | 0.752 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -99.3 | -18.1 | -173.7 | -74.7 | -169.6 | 177 | -177.1 | 0 | 116.4 | Q277 | Q277-K279 PolarHBondContact O-N 3.03Š|
| 280 | Y | 31.4 | Very low | 39.8 | Very low | 211 Ų | 211 | 138.7 Ų | 138.7 | 83% | 0.827 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -140.4 | 112.9 | -179 | -61.3 | -78.9 | 0 | 0 | 0 | 111 | ||
| 281 | S | 35.9 | Very low | 42 | Very low | 97 Ų | 97 | 134.5 Ų | 134.5 | 68% | 0.678 | 68% | 0.68 | S | S | * | * | S | Bend | trans | 127.5 | 6.4 | 154.9 | 94.2 | 0 | 0 | 0 | 0 | 119 | ||
| 282 | I | 38.9 | Very low | 44 | Very low | 114 Ų | 114 | 136.1 Ų | 136.1 | 59% | 0.585 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -87.5 | -23.3 | 174.6 | -61 | 174.5 | 0 | 0 | 0 | 112.5 | N286 | I282-N286 WeakPolarHBondContact CG2-ND2 3.48Å; I282-N286 PolarHBondContact O-ND2 2.87Å |
| 283 | C | 38.7 | Very low | 45.7 | Very low | 115 Ų | 115 | 130.8 Ų | 130.8 | 78% | 0.777 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -70.3 | -34.9 | -173.5 | -77.4 | 0 | 0 | 0 | 0 | 114.9 | ||
| 284 | E | 38.7 | Very low | 47.7 | Very low | 171 Ų | 171 | 126 Ų | 126 | 80% | 0.799 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -78.8 | -29.8 | -177 | -74 | -172.5 | 152.2 | 0 | 0 | 114 | N286 T288 | E284-N286 PolarHBondContact O-N 3.35Å; E284-T288 PolarHBondContact O-OG1 2.69Å |
| 285 | K | 49.9 | Very low | 49.6 | Very low | 144 Ų | 144 | 122.4 Ų | 122.4 | 63% | 0.626 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -77.7 | -20.3 | -177.4 | -71.5 | -178 | 179.5 | 174.4 | 0 | 113.6 | T288 R289 | K285-T288 PolarHBondContact O-OG1 3.31Å; K285-R289 WeakPolarHBondContact O-CG 3.29Å; K285-R289 PolarHBondContact O-N 2.98Å |
| 286 | N | 51.3 | Low | 51.5 | Low | 73 Ų | 73 | 119 Ų | 119 | 39% | 0.39 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -84.6 | -34.6 | -175.2 | -74.1 | -21.1 | 0 | 0 | 0 | 113.3 | I282 E284 R289 Q290 | I282-N286 WeakPolarHBondContact CG2-ND2 3.48Å; I282-N286 PolarHBondContact O-ND2 2.87Å; E284-N286 PolarHBondContact O-N 3.35Å; N286-R289 PolarHBondContact O-N 3.21Å; N286-Q290 WeakPolarHBondContact O-CG 3.41Å; N286-Q290 PolarHBondContact O-N 3.02Å |
| 287 | Q | 54.4 | Low | 53.7 | Low | 151 Ų | 151 | 115.1 Ų | 115.1 | 71% | 0.706 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66 | -40.4 | 177.1 | -85.3 | 178.5 | -10.9 | 0 | 0 | 112.2 | R289 Q290 S291 | Q287-R289 VanDerWaalsContact C-N 3.34Å; Q287-R289 PolarHBondContact O-N 2.74Å; Q287-Q290 PolarHBondContact O-N 2.99Å; Q287-S291 PolarHBondContact O-N 3.18Å; Q287-S291 VanDerWaalsContact O-N 3.16Å |
| 288 | T | 54.6 | Low | 55.8 | Low | 90 Ų | 90 | 115.8 Ų | 115.8 | 55% | 0.552 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62.9 | -40.6 | 173.9 | 35.5 | 0 | 0 | 0 | 0 | 111.7 | E284 K285 Q290 S291 Y294 | E284-T288 PolarHBondContact O-OG1 2.69Å; K285-T288 PolarHBondContact O-OG1 3.31Å; T288-Q290 VanDerWaalsContact C-N 3.31Å; T288-Q290 PolarHBondContact O-N 3.45Å; T288-S291 WeakPolarHBondContact O-CB 3.28Å; T288-S291 PolarHBondContact O-N 2.86Å; T288-S291 PolarHBondContact O-OG 2.91Å; T288-Y294 WeakPolarHBondContact O-CB 3.34Å |
| 289 | R | 56.3 | Low | 57.7 | Low | 153 Ų | 153 | 116.9 Ų | 116.9 | 58% | 0.577 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -67.7 | -24.4 | 175.5 | -75.3 | -177 | 173.5 | -154.2 | -0.5 | 114.5 | K285 N286 Q287 Y294 | K285-R289 WeakPolarHBondContact O-CG 3.29Å; K285-R289 PolarHBondContact O-N 2.98Å; N286-R289 PolarHBondContact O-N 3.21Å; Q287-R289 VanDerWaalsContact C-N 3.34Å; Q287-R289 PolarHBondContact O-N 2.74Å; R289-Y294 HydrophobicContact CB-CD1 4.27Å; R289-Y294 HydrophobicContact CB-CE1 4.07Å; R289-Y294 HydrophobicContact CG-CD1 4.46Å; R289-Y294 HydrophobicContact CG-CE1 3.92Å; R289-Y294 HydrophobicContact CG-CE2 4.32Å; R289-Y294 WeakPolarHBondContact O-CD1 3.29Å |
| 290 | Q | 60.9 | Low | 59.6 | Low | 154 Ų | 154 | 115.8 Ų | 115.8 | 72% | 0.72 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -87.8 | -12.3 | 176 | -72.4 | 177.7 | 8.8 | 0 | 0 | 113.3 | N286 Q287 T288 | N286-Q290 WeakPolarHBondContact O-CG 3.41Å; N286-Q290 PolarHBondContact O-N 3.02Å; Q287-Q290 PolarHBondContact O-N 2.99Å; T288-Q290 VanDerWaalsContact C-N 3.31Å; T288-Q290 PolarHBondContact O-N 3.45Å |
| 291 | S | 72.8 | Confident | 62 | Low | 45 Ų | 45 | 111 Ų | 111 | 32% | 0.315 | 56% | 0.555 | S | S | . | * | S | Bend | trans | -61.6 | 140.4 | 178.4 | 73 | 0 | 0 | 0 | 0 | 111.6 | Q287 T288 A293 Y294 S295 | Q287-S291 PolarHBondContact O-N 3.18Å; Q287-S291 VanDerWaalsContact O-N 3.16Å; T288-S291 WeakPolarHBondContact O-CB 3.28Å; T288-S291 PolarHBondContact O-N 2.86Å; T288-S291 PolarHBondContact O-OG 2.91Å; S291-A293 PolarHBondContact O-N 3.49Å; S291-Y294 PolarHBondContact O-N 2.87Å; S291-Y294 VanDerWaalsContact O-N 3.12Å; S291-Y294 VanDerWaalsContact OG-CB 3.27Å; S291-Y294 WeakPolarHBondContact OG-CB 3.49Å; S291-Y294 PolarHBondContact OG-N 3.45Å; S291-Y294 VanDerWaalsContact OG-N 3.11Å; S291-S295 PolarHBondContact O-N 3.34Å; S291-S295 PolarHBondContact O-OG 3.34Å |
| 292 | I | 71.4 | Confident | 64 | Low | 133 Ų | 133 | 113.1 Ų | 113.1 | 68% | 0.682 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -55 | -39.6 | 174.2 | -64.7 | 170.8 | 0 | 0 | 0 | 109.8 | Y294 S295 I296 | I292-Y294 PolarHBondContact O-N 3.39Å; I292-S295 PolarHBondContact O-N 2.89Å; I292-I296 HydrophobicContact CG2-CD1 3.73Å; I292-I296 HydrophobicContact CG2-CG1 4.33Å; I292-I296 VanDerWaalsContact O-CG1 3.28Å; I292-I296 WeakPolarHBondContact O-CG1 3.46Å; I292-I296 PolarHBondContact O-N 3.35Å |
| 293 | A | 68.7 | Low | 65.6 | Low | 53 Ų | 53 | 112.5 Ų | 112.5 | 44% | 0.438 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -57.9 | -48.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S291 S295 I296 I297 | S291-A293 PolarHBondContact O-N 3.49Å; A293-S295 PolarHBondContact O-N 2.82Å; A293-I296 PolarHBondContact O-N 3.27Å; A293-I297 VanDerWaalsContact O-CG1 3.26Å; A293-I297 WeakPolarHBondContact O-CG1 3.31Å; A293-I297 PolarHBondContact O-N 3.49Å |
| 294 | Y | 73.9 | Confident | 67.2 | Low | 73 Ų | 73 | 112.1 Ų | 112.1 | 29% | 0.286 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.2 | -41.4 | 176.5 | 177.9 | -93.1 | 0 | 0 | 0 | 112.1 | T288 R289 S291 I292 I296 I297 R298 | T288-Y294 WeakPolarHBondContact O-CB 3.34Å; R289-Y294 HydrophobicContact CB-CD1 4.27Å; R289-Y294 HydrophobicContact CB-CE1 4.07Å; R289-Y294 HydrophobicContact CG-CD1 4.46Å; R289-Y294 HydrophobicContact CG-CE1 3.92Å; R289-Y294 HydrophobicContact CG-CE2 4.32Å; R289-Y294 WeakPolarHBondContact O-CD1 3.29Å; S291-Y294 PolarHBondContact O-N 2.87Å; S291-Y294 VanDerWaalsContact O-N 3.12Å; S291-Y294 VanDerWaalsContact OG-CB 3.27Å; S291-Y294 WeakPolarHBondContact OG-CB 3.49Å; S291-Y294 PolarHBondContact OG-N 3.45Å; S291-Y294 VanDerWaalsContact OG-N 3.11Å; I292-Y294 PolarHBondContact O-N 3.39Å; Y294-I296 VanDerWaalsContact C-N 3.33Å; Y294-I296 PolarHBondContact O-N 3.41Å; Y294-I297 PolarHBondContact O-N 3.37Å; Y294-R298 HydrophobicContact CE1-CB 4.41Å; Y294-R298 VanDerWaalsContact O-CB 3.27Å; Y294-R298 WeakPolarHBondContact O-CB 3.37Å; Y294-R298 PolarHBondContact O-N 2.92Å |
| 295 | S | 71.9 | Confident | 68.7 | Low | 65 Ų | 65 | 107.7 Ų | 107.7 | 46% | 0.455 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.3 | -40 | 177.7 | -65.4 | 0 | 0 | 0 | 0 | 112.1 | S291 I292 A293 H299 | S291-S295 PolarHBondContact O-N 3.34Å; S291-S295 PolarHBondContact O-OG 3.34Å; I292-S295 PolarHBondContact O-N 2.89Å; A293-S295 PolarHBondContact O-N 2.82Å; S295-H299 VanDerWaalsContact O-CB 3.28Å; S295-H299 WeakPolarHBondContact O-CB 3.36Å; S295-H299 PolarHBondContact O-N 2.55Å |
| 296 | I | 75.5 | Confident | 69.6 | Low | 76 Ų | 76 | 105 Ų | 105 | 39% | 0.39 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.7 | -46.6 | 174.8 | -67.9 | 167.3 | 0 | 0 | 0 | 110.9 | I292 A293 Y294 H299 R300 | I292-I296 HydrophobicContact CG2-CD1 3.73Å; I292-I296 HydrophobicContact CG2-CG1 4.33Å; I292-I296 VanDerWaalsContact O-CG1 3.28Å; I292-I296 WeakPolarHBondContact O-CG1 3.46Å; I292-I296 PolarHBondContact O-N 3.35Å; A293-I296 PolarHBondContact O-N 3.27Å; Y294-I296 VanDerWaalsContact C-N 3.33Å; Y294-I296 PolarHBondContact O-N 3.41Å; I296-H299 PolarHBondContact O-N 2.7Å; I296-R300 PolarHBondContact O-N 2.87Å |
| 297 | I | 77 | Confident | 70.4 | Confident | 94 Ų | 94 | 106.4 Ų | 106.4 | 48% | 0.482 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.2 | -50.4 | 178.1 | -68.2 | 165 | 0 | 0 | 0 | 110 | A293 Y294 H299 R300 E301 | A293-I297 VanDerWaalsContact O-CG1 3.26Å; A293-I297 WeakPolarHBondContact O-CG1 3.31Å; A293-I297 PolarHBondContact O-N 3.49Å; Y294-I297 PolarHBondContact O-N 3.37Å; I297-H299 VanDerWaalsContact C-N 3.33Å; I297-H299 PolarHBondContact O-N 3.2Å; I297-R300 WeakPolarHBondContact O-CB 3.26Å; I297-R300 PolarHBondContact O-N 2.94Å; I297-R300 VanDerWaalsContact O-N 3.11Å; I297-E301 HydrophobicContact CG2-CG 4.39Å; I297-E301 WeakPolarHBondContact O-CG 3.5Å; I297-E301 PolarHBondContact O-N 3.3Å |
| 298 | R | 77.4 | Confident | 71.1 | Confident | 158 Ų | 158 | 106.4 Ų | 106.4 | 60% | 0.596 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.1 | -38.4 | 179 | -170.2 | -178.4 | -175.1 | -162.7 | 1.9 | 112.4 | Y294 E301 K302 | Y294-R298 HydrophobicContact CE1-CB 4.41Å; Y294-R298 VanDerWaalsContact O-CB 3.27Å; Y294-R298 WeakPolarHBondContact O-CB 3.37Å; Y294-R298 PolarHBondContact O-N 2.92Å; R298-E301 PolarHBondContact O-N 2.95Å; R298-K302 WeakPolarHBondContact O-CB 3.31Å; R298-K302 PolarHBondContact O-N 3.26Å |
| 299 | H | 75.4 | Confident | 71.7 | Confident | 112 Ų | 112 | 104 Ų | 104 | 52% | 0.519 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.2 | -47 | 173.7 | -176.4 | 83 | 0 | 0 | 0 | 110.7 | S295 I296 I297 E301 K302 Q303 | S295-H299 VanDerWaalsContact O-CB 3.28Å; S295-H299 WeakPolarHBondContact O-CB 3.36Å; S295-H299 PolarHBondContact O-N 2.55Å; I296-H299 PolarHBondContact O-N 2.7Å; I297-H299 VanDerWaalsContact C-N 3.33Å; I297-H299 PolarHBondContact O-N 3.2Å; H299-E301 PolarHBondContact O-N 3.25Å; H299-K302 PolarHBondContact O-N 2.85Å; H299-Q303 PolarHBondContact CE1-NE2 2.69Å; H299-Q303 PolarHBondContact NE2-NE2 3.01Å; H299-Q303 VanDerWaalsContact O-CG 3.29Å; H299-Q303 WeakPolarHBondContact O-CG 3.32Å; H299-Q303 PolarHBondContact O-N 3.48Å |
| 300 | R | 77.7 | Confident | 71.9 | Confident | 149 Ų | 149 | 100 Ų | 100 | 56% | 0.562 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.6 | -44.2 | 175.9 | -78 | -173.8 | 172.8 | -172.4 | -0.6 | 112.2 | I296 I297 K302 Q303 L304 | I296-R300 PolarHBondContact O-N 2.87Å; I297-R300 WeakPolarHBondContact O-CB 3.26Å; I297-R300 PolarHBondContact O-N 2.94Å; I297-R300 VanDerWaalsContact O-N 3.11Å; R300-K302 PolarHBondContact O-N 3.46Å; R300-Q303 PolarHBondContact O-N 2.86Å; R300-L304 WeakPolarHBondContact O-CB 3.35Å; R300-L304 WeakPolarHBondContact O-CG 3.24Å; R300-L304 PolarHBondContact O-N 3Å |
| 301 | E | 80.9 | Confident | 71.7 | Confident | 111 Ų | 111 | 96.7 Ų | 96.7 | 52% | 0.519 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 175.9 | -73 | 176.1 | 166.2 | 0 | 0 | 111.6 | I297 R298 H299 Q303 L304 C305 | I297-E301 HydrophobicContact CG2-CG 4.39Å; I297-E301 WeakPolarHBondContact O-CG 3.5Å; I297-E301 PolarHBondContact O-N 3.3Å; R298-E301 PolarHBondContact O-N 2.95Å; H299-E301 PolarHBondContact O-N 3.25Å; E301-Q303 PolarHBondContact O-N 2.79Å; E301-L304 PolarHBondContact O-N 2.84Å; E301-C305 WeakPolarHBondContact O-CB 3.4Å; E301-C305 PolarHBondContact O-N 2.89Å; E301-C305 PolarHBondContact O-SG 2.89Å; E301-C305 VanDerWaalsContact O-SG 3.34Å |
| 302 | K | 77.6 | Confident | 71.1 | Confident | 142 Ų | 142 | 98.1 Ų | 98.1 | 62% | 0.617 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.9 | -42 | 176.2 | -167.7 | 177.6 | -177 | -179.1 | 0 | 111.8 | R298 H299 R300 C305 N306 | R298-K302 WeakPolarHBondContact O-CB 3.31Å; R298-K302 PolarHBondContact O-N 3.26Å; H299-K302 PolarHBondContact O-N 2.85Å; R300-K302 PolarHBondContact O-N 3.46Å; K302-C305 PolarHBondContact O-N 3.31Å; K302-N306 WeakPolarHBondContact O-CB 3.38Å; K302-N306 PolarHBondContact O-N 3.49Å; K302-N306 PolarHBondContact O-OD1 2.88Å |
| 303 | Q | 73.6 | Confident | 70.6 | Confident | 100 Ų | 100 | 98.5 Ų | 98.5 | 47% | 0.467 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.8 | -44.6 | 174.2 | -69.2 | -68.7 | -6.3 | 0 | 0 | 111.4 | H299 R300 E301 N306 L307 | H299-Q303 PolarHBondContact CE1-NE2 2.69Å; H299-Q303 PolarHBondContact NE2-NE2 3.01Å; H299-Q303 VanDerWaalsContact O-CG 3.29Å; H299-Q303 WeakPolarHBondContact O-CG 3.32Å; H299-Q303 PolarHBondContact O-N 3.48Å; R300-Q303 PolarHBondContact O-N 2.86Å; E301-Q303 PolarHBondContact O-N 2.79Å; Q303-N306 PolarHBondContact O-N 3.18Å; Q303-L307 VanDerWaalsContact O-CB 3.24Å; Q303-L307 WeakPolarHBondContact O-CB 3.4Å; Q303-L307 PolarHBondContact O-N 2.86Å |
| 304 | L | 71.2 | Confident | 70 | Confident | 108 Ų | 108 | 97.6 Ų | 97.6 | 57% | 0.565 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.8 | -38.7 | 176.6 | -73 | 172.7 | 0 | 0 | 0 | 112.3 | R300 E301 L307 K308 | R300-L304 WeakPolarHBondContact O-CB 3.35Å; R300-L304 WeakPolarHBondContact O-CG 3.24Å; R300-L304 PolarHBondContact O-N 3Å; E301-L304 PolarHBondContact O-N 2.84Å; L304-L307 PolarHBondContact O-N 3.3Å; L304-K308 WeakPolarHBondContact O-CB 3.35Å; L304-K308 VanDerWaalsContact O-CG 3.32Å; L304-K308 WeakPolarHBondContact O-CG 3.2Å; L304-K308 PolarHBondContact O-N 3.38Å |
| 305 | C | 71.1 | Confident | 69.1 | Low | 78 Ų | 78 | 96.7 Ų | 96.7 | 53% | 0.527 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.1 | -45.2 | 174.6 | -75 | 0 | 0 | 0 | 0 | 111.7 | E301 K302 L307 K308 A309 | E301-C305 WeakPolarHBondContact O-CB 3.4Å; E301-C305 PolarHBondContact O-N 2.89Å; E301-C305 PolarHBondContact O-SG 2.89Å; E301-C305 VanDerWaalsContact O-SG 3.34Å; K302-C305 PolarHBondContact O-N 3.31Å; C305-L307 VanDerWaalsContact C-N 3.31Å; C305-L307 PolarHBondContact O-N 2.81Å; C305-K308 PolarHBondContact O-N 3.16Å; C305-A309 WeakPolarHBondContact O-CB 3.47Å; C305-A309 PolarHBondContact O-N 3.09Å |
| 306 | N | 68.6 | Low | 68.3 | Low | 88 Ų | 88 | 98.3 Ų | 98.3 | 47% | 0.471 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.7 | -41.3 | 175.6 | -71.3 | -6.9 | 0 | 0 | 0 | 111.2 | K302 Q303 A309 A310 | K302-N306 WeakPolarHBondContact O-CB 3.38Å; K302-N306 PolarHBondContact O-N 3.49Å; K302-N306 PolarHBondContact O-OD1 2.88Å; Q303-N306 PolarHBondContact O-N 3.18Å; N306-A309 PolarHBondContact O-N 2.98Å; N306-A310 VanDerWaalsContact O-CB 3.31Å; N306-A310 WeakPolarHBondContact O-CB 3.34Å; N306-A310 PolarHBondContact O-N 3.35Å |
| 307 | L | 67.4 | Low | 67.3 | Low | 101 Ų | 101 | 96.3 Ų | 96.3 | 53% | 0.529 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.6 | -40.5 | 176.8 | -170.5 | 143.7 | 0 | 0 | 0 | 111.2 | Q303 L304 C305 A310 L311 | Q303-L307 VanDerWaalsContact O-CB 3.24Å; Q303-L307 WeakPolarHBondContact O-CB 3.4Å; Q303-L307 PolarHBondContact O-N 2.86Å; L304-L307 PolarHBondContact O-N 3.3Å; C305-L307 VanDerWaalsContact C-N 3.31Å; C305-L307 PolarHBondContact O-N 2.81Å; L307-A310 PolarHBondContact O-N 3Å; L307-L311 HydrophobicContact CD2-CD1 3.51Å; L307-L311 HydrophobicContact CD2-CG 4.21Å; L307-L311 HydrophobicContact CG-CD1 4.44Å; L307-L311 WeakPolarHBondContact O-CB 3.49Å; L307-L311 WeakPolarHBondContact O-CG 3.47Å; L307-L311 PolarHBondContact O-N 3.18Å |
| 308 | K | 70.4 | Confident | 66.2 | Low | 151 Ų | 151 | 98.3 Ų | 98.3 | 66% | 0.657 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.6 | -44.2 | 171.7 | -81.2 | 179.8 | 178.9 | -177.8 | 0 | 111.9 | L304 C305 L311 S312 | L304-K308 WeakPolarHBondContact O-CB 3.35Å; L304-K308 VanDerWaalsContact O-CG 3.32Å; L304-K308 WeakPolarHBondContact O-CG 3.2Å; L304-K308 PolarHBondContact O-N 3.38Å; C305-K308 PolarHBondContact O-N 3.16Å; K308-L311 PolarHBondContact O-N 3.03Å; K308-S312 VanDerWaalsContact O-CB 3.27Å; K308-S312 WeakPolarHBondContact O-CB 3.49Å; K308-S312 PolarHBondContact O-N 3.02Å; K308-S312 PolarHBondContact O-OG 2.76Å |
| 309 | A | 65.7 | Low | 65 | Low | 39 Ų | 39 | 95 Ų | 95 | 32% | 0.322 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.5 | -51.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | C305 N306 L311 S312 E313 | C305-A309 WeakPolarHBondContact O-CB 3.47Å; C305-A309 PolarHBondContact O-N 3.09Å; N306-A309 PolarHBondContact O-N 2.98Å; A309-L311 VanDerWaalsContact C-N 3.29Å; A309-L311 PolarHBondContact O-N 2.88Å; A309-S312 WeakPolarHBondContact CA-OG 3.41Å; A309-S312 PolarHBondContact O-N 2.86Å; A309-S312 PolarHBondContact O-OG 3.19Å; A309-E313 WeakPolarHBondContact O-CG 3.33Å; A309-E313 PolarHBondContact O-N 3.32Å |
| 310 | A | 61.5 | Low | 64 | Low | 69 Ų | 69 | 95.3 Ų | 95.3 | 57% | 0.57 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.5 | -32.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | N306 L307 | N306-A310 VanDerWaalsContact O-CB 3.31Å; N306-A310 WeakPolarHBondContact O-CB 3.34Å; N306-A310 PolarHBondContact O-N 3.35Å; L307-A310 PolarHBondContact O-N 3Å |
| 311 | L | 55.7 | Low | 62.8 | Low | 85 Ų | 85 | 92.3 Ų | 92.3 | 45% | 0.445 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -78.9 | -24.2 | 173.6 | -72 | 178.8 | 0 | 0 | 0 | 113.2 | L307 K308 A309 | L307-L311 HydrophobicContact CD2-CD1 3.51Å; L307-L311 HydrophobicContact CD2-CG 4.21Å; L307-L311 HydrophobicContact CG-CD1 4.44Å; L307-L311 WeakPolarHBondContact O-CB 3.49Å; L307-L311 WeakPolarHBondContact O-CG 3.47Å; L307-L311 PolarHBondContact O-N 3.18Å; K308-L311 PolarHBondContact O-N 3.03Å; A309-L311 VanDerWaalsContact C-N 3.29Å; A309-L311 PolarHBondContact O-N 2.88Å |
| 312 | S | 60.6 | Low | 61.6 | Low | 76 Ų | 76 | 93.8 Ų | 93.8 | 53% | 0.531 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -85 | -34.3 | 179.2 | 68.2 | 0 | 0 | 0 | 0 | 112.7 | K308 A309 A314 | K308-S312 VanDerWaalsContact O-CB 3.27Å; K308-S312 WeakPolarHBondContact O-CB 3.49Å; K308-S312 PolarHBondContact O-N 3.02Å; K308-S312 PolarHBondContact O-OG 2.76Å; A309-S312 WeakPolarHBondContact CA-OG 3.41Å; A309-S312 PolarHBondContact O-N 2.86Å; A309-S312 PolarHBondContact O-OG 3.19Å; S312-A314 PolarHBondContact O-N 3.26Å |
| 313 | E | 60.4 | Low | 59.9 | Low | 140 Ų | 140 | 93.4 Ų | 93.4 | 65% | 0.654 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -71.5 | 111.4 | 176.4 | -73 | 177.4 | -169.2 | 0 | 0 | 109.1 | A309 | A309-E313 WeakPolarHBondContact O-CG 3.33Å; A309-E313 PolarHBondContact O-N 3.32Å |
| 314 | A | 56.3 | Low | 58.4 | Low | 35 Ų | 35 | 92.9 Ų | 92.9 | 29% | 0.289 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 131.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | S312 I316 K370 | S312-A314 PolarHBondContact O-N 3.26Å; A314-I316 WeakPolarHBondContact O-CG1 3.38Å; A314-I316 PolarHBondContact O-N 2.86Å; A314-K370 HydrophobicContact CB-CG 4.4Å |
| 315 | P | 55.8 | Low | 57.1 | Low | 54 Ų | 54 | 95.8 Ų | 95.8 | 35% | 0.351 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 128.3 | 176.5 | 17.7 | -23.1 | 0 | 0 | 0 | 109.4 | L368 | P315-L368 HydrophobicContact CB-CB 4.41Å; P315-L368 HydrophobicContact CB-CD1 4.22Å; P315-L368 HydrophobicContact CG-CB 4.01Å; P315-L368 HydrophobicContact CG-CD1 4.49Å; P315-L368 WeakPolarHBondContact O-CB 3.36Å; P315-L368 PolarHBondContact O-N 3.36Å |
| 316 | I | 55.3 | Low | 55.5 | Low | 99 Ų | 99 | 100.4 Ų | 100.4 | 51% | 0.508 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 124.4 | -178.2 | -60.8 | 176.1 | 0 | 0 | 0 | 108.3 | A314 Y318 V365 | A314-I316 WeakPolarHBondContact O-CG1 3.38Å; A314-I316 PolarHBondContact O-N 2.86Å; I316-Y318 HydrophobicContact CG2-CE1 4.46Å; I316-Y318 HydrophobicContact CG2-CE2 4.18Å; I316-V365 HydrophobicContact CG2-CG1 3.5Å |
| 317 | A | 54.6 | Low | 54.1 | Low | 33 Ų | 33 | 101 Ų | 101 | 27% | 0.273 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 153.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | I366 L368 | A317-I366 PolarHBondContact N-O 2.82Å; A317-I366 PolarHBondContact O-N 3.08Å; A317-L368 HydrophobicContact CB-CD1 4.04Å; A317-L368 HydrophobicContact CB-CD2 4.15Å; A317-L368 HydrophobicContact CB-CG 3.89Å |
| 318 | Y | 53.1 | Low | 52.7 | Low | 137 Ų | 137 | 102.1 Ų | 102.1 | 54% | 0.537 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.2 | 121.7 | 175.3 | -62.2 | -87.9 | 0 | 0 | 0 | 108.9 | I316 L363 V365 | I316-Y318 HydrophobicContact CG2-CE1 4.46Å; I316-Y318 HydrophobicContact CG2-CE2 4.18Å; Y318-L363 HydrophobicContact CD1-CB 4.27Å; Y318-L363 HydrophobicContact CD1-CD1 4.31Å; Y318-L363 HydrophobicContact CG-CD1 4.34Å; Y318-V365 HydrophobicContact CD1-CG2 4.22Å; Y318-V365 HydrophobicContact CE1-CG2 3.96Å |
| 319 | L | 51.9 | Low | 50.9 | Low | 89 Ų | 89 | 101 Ų | 101 | 47% | 0.466 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.5 | 143.4 | 171 | -176.1 | 71.7 | 0 | 0 | 0 | 108.9 | K321 L363 E364 I366 | L319-K321 PolarHBondContact O-N 3.45Å; L319-L363 CarbonylContact O-C 3.43Å; L319-L363 WeakPolarHBondContact O-CA 3.27Å; L319-E364 PolarHBondContact N-O 3.39Å; L319-E364 PolarHBondContact O-N 3.45Å; L319-I366 HydrophobicContact CB-CD1 3.51Å; L319-I366 HydrophobicContact CB-CG1 4.11Å; L319-I366 HydrophobicContact CD2-CD1 3.8Å; L319-I366 HydrophobicContact CG-CD1 4.19Å |
| 320 | W | 54.1 | Low | 49.7 | Very low | 117 Ų | 117 | 109.3 Ų | 109.3 | 44% | 0.443 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -64.6 | 126.6 | 168.8 | -69.6 | 92.4 | 0 | 0 | 0 | 110.7 | D322 K348 F362 L363 | W320-D322 PolarHBondContact O-N 3.01Å; W320-K348 HydrophobicContact CE3-CD 4.1Å; W320-K348 HydrophobicContact CH2-CB 4.29Å; W320-K348 HydrophobicContact CH2-CD 3.54Å; W320-K348 HydrophobicContact CZ2-CD 4Å; W320-K348 HydrophobicContact CZ3-CD 3.59Å; W320-F362 CarbonylContact C-O 3.42Å; W320-F362 VanDerWaalsContact CA-O 3.24Å; W320-F362 WeakPolarHBondContact CA-O 3.47Å; W320-F362 HydrophobicContact CE3-CB 3.76Å; W320-F362 HydrophobicContact CZ3-CB 3.61Å; W320-F362 HydrophobicContact CZ3-CG 4.36Å; W320-L363 HydrophobicContact CB-CD2 4.44Å; W320-L363 HydrophobicContact CD2-CD2 3.59Å; W320-L363 HydrophobicContact CE3-CD2 3.83Å; W320-L363 HydrophobicContact CG-CD2 3.88Å; W320-L363 HydrophobicContact CZ2-CD2 4.41Å; W320-L363 HydrophobicContact CZ3-CD2 4.33Å |
| 321 | K | 53.6 | Low | 48.5 | Very low | 87 Ų | 87 | 113.2 Ų | 113.2 | 38% | 0.378 | 60% | 0.596 | S | S | . | * | trans | -61.7 | 106.8 | 160.5 | -71.6 | -176.3 | 175.6 | -177.8 | 0 | 106.9 | L319 N323 N360 F362 E364 | L319-K321 PolarHBondContact O-N 3.45Å; K321-N323 VanDerWaalsContact C-N 3.26Å; K321-N323 PolarHBondContact O-N 3.28Å; K321-N360 VanDerWaalsContact CE-O 3.32Å; K321-N360 WeakPolarHBondContact CE-O 3.31Å; K321-N360 PolarHBondContact NZ-O 3.19Å; K321-F362 PolarHBondContact N-O 2.82Å; K321-E364 HydrophobicContact CG-CB 4.01Å | ||
| 322 | D | 54.9 | Low | 47.3 | Very low | 142 Ų | 142 | 117.7 Ų | 117.7 | 76% | 0.759 | 61% | 0.612 | S | S | * | * | trans | -67 | 93.8 | 164.9 | -74.6 | -23.4 | 0 | 0 | 0 | 107.1 | W320 V324 | W320-D322 PolarHBondContact O-N 3.01Å; D322-V324 PolarHBondContact O-N 2.88Å | ||
| 323 | N | 42.4 | Very low | 46.2 | Very low | 134 Ų | 134 | 120.2 Ų | 120.2 | 72% | 0.717 | 62% | 0.624 | S | S | * | * | trans | -67.9 | 76.1 | 162.3 | -94.3 | -10.3 | 0 | 0 | 0 | 107.7 | K321 | K321-N323 VanDerWaalsContact C-N 3.26Å; K321-N323 PolarHBondContact O-N 3.28Å | ||
| 324 | V | 42.6 | Very low | 45.2 | Very low | 89 Ų | 89 | 122.9 Ų | 122.9 | 54% | 0.539 | 63% | 0.634 | S | S | . | * | trans | -138.1 | 109 | 170.1 | -168.6 | 0 | 0 | 0 | 0 | 107.8 | D322 K326 | D322-V324 PolarHBondContact O-N 2.88Å; V324-K326 HydrophobicContact CG1-CB 4.06Å; V324-K326 HydrophobicContact CG1-CD 3.81Å; V324-K326 HydrophobicContact CG1-CG 3.72Å; V324-K326 PolarHBondContact O-N 3.12Å | ||
| 325 | N | 43.1 | Very low | 43.9 | Very low | 169 Ų | 169 | 127.4 Ų | 127.4 | 90% | 0.904 | 65% | 0.653 | S | S | * | * | trans | -57.9 | 66.4 | 160.9 | -70.4 | -24.4 | 0 | 0 | 0 | 110.8 | ||||
| 326 | K | 38.5 | Very low | 43.2 | Very low | 175 Ų | 175 | 129.8 Ų | 129.8 | 76% | 0.761 | 66% | 0.661 | S | S | * | * | trans | -121.3 | 74.6 | 165.7 | -79.3 | 179.4 | -174.3 | -176.3 | 0 | 107.2 | V324 | V324-K326 HydrophobicContact CG1-CB 4.06Å; V324-K326 HydrophobicContact CG1-CD 3.81Å; V324-K326 HydrophobicContact CG1-CG 3.72Å; V324-K326 PolarHBondContact O-N 3.12Å | ||
| 327 | S | 38.7 | Very low | 42.3 | Very low | 100 Ų | 100 | 130.9 Ų | 130.9 | 70% | 0.699 | 68% | 0.676 | S | S | * | * | trans | -43.5 | 143.8 | 145.8 | 50.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 328 | T | 38.1 | Very low | 41.4 | Very low | 125 Ų | 125 | 133 Ų | 133 | 77% | 0.767 | 69% | 0.689 | S | S | * | * | S | Bend | trans | 83.4 | 74.4 | 178 | 76.3 | 0 | 0 | 0 | 0 | 115.5 | ||
| 329 | T | 32.9 | Very low | 40.6 | Very low | 127 Ų | 127 | 135.4 Ų | 135.4 | 78% | 0.779 | 70% | 0.702 | S | S | * | * | 166.6 | 90.6 | 109.3 | 36.9 | 0 | 0 | 0 | 0 | 109.5 | L331 | T329-L331 PolarHBondContact O-N 3.46Š| |||
| 330 | K | 39.4 | Very low | 40.1 | Very low | 213 Ų | 213 | 138.4 Ų | 138.4 | 93% | 0.926 | 71% | 0.708 | S | S | * | * | trans | -62 | 88.8 | 154.9 | -72.9 | 177.8 | 176.7 | 178.2 | 0 | 107.3 | ||||
| 331 | L | 37.2 | Very low | 39.3 | Very low | 152 Ų | 152 | 142 Ų | 142 | 80% | 0.796 | 73% | 0.727 | S | S | * | * | trans | -177.4 | 119.6 | 158.1 | -98 | 147.8 | 0 | 0 | 0 | 107.6 | T329 | T329-L331 PolarHBondContact O-N 3.46Š| ||
| 332 | K | 29.4 | Very low | 38.3 | Very low | 179 Ų | 179 | 145 Ų | 145 | 78% | 0.778 | 75% | 0.748 | S | S | * | * | trans | 95.5 | 53.4 | 171.5 | -50 | 176.1 | -177.7 | -179.4 | 0 | 117.5 | K334 | K332-K334 PolarHBondContact O-N 2.9Š| ||
| 333 | T | 37.4 | Very low | 37.5 | Very low | 128 Ų | 128 | 142.8 Ų | 142.8 | 79% | 0.785 | 73% | 0.734 | S | S | * | * | trans | -71.6 | 43.2 | 139.9 | 35.6 | 0 | 0 | 0 | 0 | 111.6 | I336 | T333-I336 HydrophobicContact CG2-CD1 4.48Š| ||
| 334 | K | 39.1 | Very low | 37 | Very low | 196 Ų | 196 | 141.9 Ų | 141.9 | 85% | 0.852 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -110.2 | 18.7 | 167 | -121.1 | -174.6 | -174 | -176.5 | 0 | 111.9 | K332 | K332-K334 PolarHBondContact O-N 2.9Š|
| 335 | L | 30.5 | Very low | 36.9 | Very low | 131 Ų | 131 | 145 Ų | 145 | 69% | 0.686 | 74% | 0.743 | S | S | * | * | trans | -141.4 | 57.1 | 175.4 | -148.3 | 82.1 | 0 | 0 | 0 | 110.9 | C337 S338 | L335-C337 PolarHBondContact O-N 2.83Å; L335-S338 WeakPolarHBondContact CD2-OG 3.47Å | ||
| 336 | I | 39.9 | Very low | 36.6 | Very low | 104 Ų | 104 | 144.7 Ų | 144.7 | 53% | 0.533 | 74% | 0.735 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.2 | -10.7 | -170.8 | -72.3 | 175.1 | 0 | 0 | 0 | 114 | T333 Y340 | T333-I336 HydrophobicContact CG2-CD1 4.48Å; I336-Y340 HydrophobicContact CG2-CE2 4.45Å; I336-Y340 WeakPolarHBondContact O-CD2 3.24Å; I336-Y340 WeakPolarHBondContact O-CE2 3.33Å |
| 337 | C | 36.8 | Very low | 36.5 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 82% | 0.824 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.7 | 2.9 | -174.8 | -68.7 | 0 | 0 | 0 | 0 | 117.3 | L335 | L335-C337 PolarHBondContact O-N 2.83Š|
| 338 | S | 36.3 | Very low | 36.6 | Very low | 76 Ų | 76 | 141.2 Ų | 141.2 | 53% | 0.531 | 72% | 0.724 | S | S | . | * | S | Bend | trans | -98.6 | -16.5 | -179.6 | 60.7 | 0 | 0 | 0 | 0 | 115.8 | L335 | L335-S338 WeakPolarHBondContact CD2-OG 3.47Š|
| 339 | K | 36.2 | Very low | 36.4 | Very low | 188 Ų | 188 | 144.5 Ų | 144.5 | 82% | 0.817 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -92 | -1.2 | -177.4 | -78.2 | -169.7 | 176.3 | -177.3 | 0 | 115.7 | K341 | K339-K341 VanDerWaalsContact C-N 3.31Å; K339-K341 PolarHBondContact O-N 3.4Å |
| 340 | Y | 40.3 | Very low | 36.7 | Very low | 153 Ų | 153 | 142 Ų | 142 | 60% | 0.6 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | 18.8 | -177.2 | -69.7 | -71.2 | 0 | 0 | 0 | 114.8 | I336 I343 | I336-Y340 HydrophobicContact CG2-CE2 4.45Å; I336-Y340 WeakPolarHBondContact O-CD2 3.24Å; I336-Y340 WeakPolarHBondContact O-CE2 3.33Å; Y340-I343 HydrophobicContact CD1-CD1 3.42Å; Y340-I343 VanDerWaalsContact CD1-CD1 3.42Å; Y340-I343 HydrophobicContact CD1-CG1 4.15Å; Y340-I343 HydrophobicContact CE1-CD1 3.57Å |
| 341 | K | 37.4 | Very low | 36.6 | Very low | 192 Ų | 192 | 138 Ų | 138 | 84% | 0.835 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | -28 | 177.1 | -87.2 | -171.3 | 173.7 | -174.7 | 0 | 114.3 | K339 | K339-K341 VanDerWaalsContact C-N 3.31Å; K339-K341 PolarHBondContact O-N 3.4Å |
| 342 | D | 34.2 | Very low | 36.6 | Very low | 151 Ų | 151 | 135.6 Ų | 135.6 | 81% | 0.807 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -121.3 | 18.3 | -170.1 | -58.2 | -30.4 | 0 | 0 | 0 | 115 | N344 | D342-N344 PolarHBondContact O-N 2.92Š|
| 343 | I | 37.1 | Very low | 37.1 | Very low | 94 Ų | 94 | 129.3 Ų | 129.3 | 48% | 0.482 | 68% | 0.676 | S | S | . | * | trans | -75.7 | 97.7 | 169.7 | -53.1 | -167.7 | 0 | 0 | 0 | 107.7 | Y340 L345 | Y340-I343 HydrophobicContact CD1-CD1 3.42Å; Y340-I343 VanDerWaalsContact CD1-CD1 3.42Å; Y340-I343 HydrophobicContact CD1-CG1 4.15Å; Y340-I343 HydrophobicContact CE1-CD1 3.57Å; I343-L345 VanDerWaalsContact C-N 3.25Å; I343-L345 PolarHBondContact O-N 3.32Å | ||
| 344 | N | 31.9 | Very low | 37 | Very low | 116 Ų | 116 | 126.3 Ų | 126.3 | 62% | 0.62 | 66% | 0.661 | S | S | * | * | trans | -60.3 | 88.1 | 170.9 | -156.2 | -19.7 | 0 | 0 | 0 | 108.8 | D342 Q346 A347 | D342-N344 PolarHBondContact O-N 2.92Å; N344-Q346 PolarHBondContact O-N 3.08Å; N344-A347 PolarHBondContact O-N 2.92Å | ||
| 345 | L | 40 | Very low | 37 | Very low | 155 Ų | 155 | 123.3 Ų | 123.3 | 81% | 0.812 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -58.8 | -11.9 | -176 | -78.8 | 159.4 | 0 | 0 | 0 | 113 | I343 | I343-L345 VanDerWaalsContact C-N 3.25Å; I343-L345 PolarHBondContact O-N 3.32Å |
| 346 | Q | 36.3 | Very low | 37.4 | Very low | 161 Ų | 161 | 118.6 Ų | 118.6 | 75% | 0.752 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -72.3 | -25.6 | 174.1 | -66 | -166.4 | -1.9 | 0 | 0 | 113.5 | N344 K348 | N344-Q346 PolarHBondContact O-N 3.08Å; Q346-K348 VanDerWaalsContact C-N 3.27Å; Q346-K348 PolarHBondContact O-N 2.9Å |
| 347 | A | 37.7 | Very low | 37.6 | Very low | 84 Ų | 84 | 115.5 Ų | 115.5 | 69% | 0.694 | 63% | 0.629 | S | S | * | * | G | 310 helix | trans | -78.2 | -4.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | N344 | N344-A347 PolarHBondContact O-N 2.92Š|
| 348 | K | 40.1 | Very low | 37.9 | Very low | 119 Ų | 119 | 115.1 Ų | 115.1 | 52% | 0.517 | 62% | 0.618 | S | S | . | * | G | 310 helix | trans | -116.7 | 24.1 | 178.3 | -64.6 | -163.2 | -179.9 | -177.4 | 0 | 113.8 | W320 Q346 | W320-K348 HydrophobicContact CE3-CD 4.1Å; W320-K348 HydrophobicContact CH2-CB 4.29Å; W320-K348 HydrophobicContact CH2-CD 3.54Å; W320-K348 HydrophobicContact CZ2-CD 4Å; W320-K348 HydrophobicContact CZ3-CD 3.59Å; Q346-K348 VanDerWaalsContact C-N 3.27Å; Q346-K348 PolarHBondContact O-N 2.9Å |
| 349 | R | 34.7 | Very low | 38.5 | Very low | 193 Ų | 193 | 113.3 Ų | 113.3 | 73% | 0.728 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -72.3 | 138.9 | 157.5 | -72.1 | -172.6 | 176 | -167.9 | 0.4 | 108.2 | L351 | R349-L351 PolarHBondContact O-N 2.96Š|
| 350 | C | 39.1 | Very low | 39.3 | Very low | 74 Ų | 74 | 109.1 Ų | 109.1 | 50% | 0.5 | 59% | 0.592 | S | S | . | * | P | Polyproline II helix | trans | -56.7 | 131.9 | 168.8 | -52.4 | 0 | 0 | 0 | 0 | 107.4 | ||
| 351 | L | 37.9 | Very low | 39.9 | Very low | 129 Ų | 129 | 109 Ų | 109 | 68% | 0.675 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 136.5 | 171.4 | -75.3 | 163.3 | 0 | 0 | 0 | 108.4 | R349 G353 S354 | R349-L351 PolarHBondContact O-N 2.96Å; L351-G353 PolarHBondContact O-N 3.29Å; L351-S354 WeakPolarHBondContact O-CB 3.3Å; L351-S354 PolarHBondContact O-N 3.05Å |
| 352 | P | 36.4 | Very low | 40.7 | Very low | 102 Ų | 102 | 104.4 Ų | 104.4 | 66% | 0.662 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.6 | 130.6 | 172.8 | 14.6 | -21.7 | 0 | 0 | 0 | 109.5 | S354 | P352-S354 PolarHBondContact O-N 3.25Š|
| 353 | G | 39.2 | Very low | 41.3 | Very low | 47 Ų | 47 | 98 Ų | 98 | 49% | 0.485 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | -10 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | L351 | L351-G353 PolarHBondContact O-N 3.29Š|
| 354 | S | 36.3 | Very low | 42.5 | Very low | 66 Ų | 66 | 98.6 Ų | 98.6 | 46% | 0.462 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -82.7 | 119.1 | 168.7 | -67.4 | 0 | 0 | 0 | 0 | 109.5 | L351 P352 G356 | L351-S354 WeakPolarHBondContact O-CB 3.3Å; L351-S354 PolarHBondContact O-N 3.05Å; P352-S354 PolarHBondContact O-N 3.25Å; S354-G356 PolarHBondContact O-N 2.97Å |
| 355 | I | 39.4 | Very low | 43.9 | Very low | 133 Ų | 133 | 96.8 Ų | 96.8 | 68% | 0.682 | 53% | 0.531 | S | S | * | . | trans | -50 | 110.7 | 162.6 | -61.8 | 164.3 | 0 | 0 | 0 | 105 | G357 | I355-G357 PolarHBondContact O-N 3.17Š| ||
| 356 | G | 39.1 | Very low | 44.7 | Very low | 32 Ų | 32 | 92.6 Ų | 92.6 | 33% | 0.33 | 51% | 0.509 | S | S | . | . | trans | -46.2 | 117.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | S354 L358 | S354-G356 PolarHBondContact O-N 2.97Å; G356-L358 PolarHBondContact O-N 3.36Å | ||
| 357 | G | 42.9 | Very low | 45.8 | Very low | 39 Ų | 39 | 88.4 Ų | 88.4 | 40% | 0.402 | 50% | 0.502 | S | S | . | . | trans | -49.8 | 136.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | I355 S359 | I355-G357 PolarHBondContact O-N 3.17Å; G357-S359 PolarHBondContact O-N 3.2Å; G357-S359 VanDerWaalsContact O-N 3.11Å | ||
| 358 | L | 43.4 | Very low | 46.5 | Very low | 113 Ų | 113 | 88.1 Ų | 88.1 | 59% | 0.592 | 49% | 0.489 | S | S | * | . | trans | -45.1 | 127.6 | -177.6 | -65.3 | 171.6 | 0 | 0 | 0 | 108.4 | G356 N360 Y361 | G356-L358 PolarHBondContact O-N 3.36Å; L358-N360 PolarHBondContact O-N 3.21Å; L358-Y361 HydrophobicContact CB-CD2 3.74Å; L358-Y361 HydrophobicContact CB-CE2 3.79Å; L358-Y361 HydrophobicContact CD1-CE2 3.96Å; L358-Y361 HydrophobicContact CG-CE2 4.15Å; L358-Y361 WeakPolarHBondContact O-CD2 3.47Å; L358-Y361 PolarHBondContact O-N 3.28Å | ||
| 359 | S | 50.1 | Low | 47.1 | Very low | 38 Ų | 38 | 87.8 Ų | 87.8 | 27% | 0.266 | 50% | 0.498 | S | S | . | . | G | 310 helix | trans | -44 | -36.8 | -178.8 | 52.9 | 0 | 0 | 0 | 0 | 112.6 | G357 Y361 F362 L363 | G357-S359 PolarHBondContact O-N 3.2Å; G357-S359 VanDerWaalsContact O-N 3.11Å; S359-Y361 PolarHBondContact O-N 3.36Å; S359-Y361 VanDerWaalsContact O-N 3.09Å; S359-F362 PolarHBondContact O-N 3.25Å; S359-F362 VanDerWaalsContact O-N 3.15Å; S359-L363 WeakPolarHBondContact O-CB 3.43Å; S359-L363 PolarHBondContact O-N 2.93Å |
| 360 | N | 52.1 | Low | 48 | Very low | 100 Ų | 100 | 84.9 Ų | 84.9 | 54% | 0.535 | 49% | 0.491 | S | S | . | . | G | 310 helix | trans | -55.2 | -21.7 | 176.9 | -63.5 | -10.1 | 0 | 0 | 0 | 115.5 | K321 L358 | K321-N360 VanDerWaalsContact CE-O 3.32Å; K321-N360 WeakPolarHBondContact CE-O 3.31Å; K321-N360 PolarHBondContact NZ-O 3.19Å; L358-N360 PolarHBondContact O-N 3.21Å |
| 361 | Y | 52.3 | Low | 48.7 | Very low | 150 Ų | 150 | 85.7 Ų | 85.7 | 59% | 0.588 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -78.9 | -31.6 | 178.5 | -72 | -66.8 | 0 | 0 | 0 | 113 | L358 S359 | L358-Y361 HydrophobicContact CB-CD2 3.74Å; L358-Y361 HydrophobicContact CB-CE2 3.79Å; L358-Y361 HydrophobicContact CD1-CE2 3.96Å; L358-Y361 HydrophobicContact CG-CE2 4.15Å; L358-Y361 WeakPolarHBondContact O-CD2 3.47Å; L358-Y361 PolarHBondContact O-N 3.28Å; S359-Y361 PolarHBondContact O-N 3.36Å; S359-Y361 VanDerWaalsContact O-N 3.09Å |
| 362 | F | 54.1 | Low | 49.1 | Very low | 97 Ų | 97 | 83.5 Ų | 83.5 | 43% | 0.425 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.7 | -13 | -174.7 | -49.1 | -76.3 | 0 | 0 | 0 | 113.5 | W320 K321 S359 | W320-F362 CarbonylContact C-O 3.42Å; W320-F362 VanDerWaalsContact CA-O 3.24Å; W320-F362 WeakPolarHBondContact CA-O 3.47Å; W320-F362 HydrophobicContact CE3-CB 3.76Å; W320-F362 HydrophobicContact CZ3-CB 3.61Å; W320-F362 HydrophobicContact CZ3-CG 4.36Å; K321-F362 PolarHBondContact N-O 2.82Å; S359-F362 PolarHBondContact O-N 3.25Å; S359-F362 VanDerWaalsContact O-N 3.15Å |
| 363 | L | 47.7 | Very low | 49.5 | Very low | 16 Ų | 16 | 83.8 Ų | 83.8 | 8% | 0.084 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 130.6 | -179.9 | -60 | 175.4 | 0 | 0 | 0 | 110 | I74 Y318 L319 W320 S359 | I74-L363 HydrophobicContact CD1-CD1 3.67Å; Y318-L363 HydrophobicContact CD1-CB 4.27Å; Y318-L363 HydrophobicContact CD1-CD1 4.31Å; Y318-L363 HydrophobicContact CG-CD1 4.34Å; L319-L363 CarbonylContact O-C 3.43Å; L319-L363 WeakPolarHBondContact O-CA 3.27Å; W320-L363 HydrophobicContact CB-CD2 4.44Å; W320-L363 HydrophobicContact CD2-CD2 3.59Å; W320-L363 HydrophobicContact CE3-CD2 3.83Å; W320-L363 HydrophobicContact CG-CD2 3.88Å; W320-L363 HydrophobicContact CZ2-CD2 4.41Å; W320-L363 HydrophobicContact CZ3-CD2 4.33Å; S359-L363 WeakPolarHBondContact O-CB 3.43Å; S359-L363 PolarHBondContact O-N 2.93Å |
| 364 | E | 62.5 | Low | 49.8 | Very low | 106 Ų | 106 | 88 Ų | 88 | 50% | 0.495 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 130.6 | 166.2 | -172.6 | 174.7 | 178.1 | 0 | 0 | 108.5 | L319 K321 I366 | L319-E364 PolarHBondContact N-O 3.39Å; L319-E364 PolarHBondContact O-N 3.45Å; K321-E364 HydrophobicContact CG-CB 4.01Å; E364-I366 PolarHBondContact O-N 2.94Å |
| 365 | V | 59.9 | Low | 50.1 | Low | 78 Ų | 78 | 95 Ų | 95 | 47% | 0.473 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 115 | 175 | 179.6 | 0 | 0 | 0 | 0 | 107.9 | I316 Y318 | I316-V365 HydrophobicContact CG2-CG1 3.5Å; Y318-V365 HydrophobicContact CD1-CG2 4.22Å; Y318-V365 HydrophobicContact CE1-CG2 3.96Å |
| 366 | I | 58.6 | Low | 50.8 | Low | 68 Ų | 68 | 96.6 Ų | 96.6 | 35% | 0.349 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 118.2 | 172.3 | -56.9 | -175.6 | 0 | 0 | 0 | 108 | A317 L319 E364 L368 | A317-I366 PolarHBondContact N-O 2.82Å; A317-I366 PolarHBondContact O-N 3.08Å; L319-I366 HydrophobicContact CB-CD1 3.51Å; L319-I366 HydrophobicContact CB-CG1 4.11Å; L319-I366 HydrophobicContact CD2-CD1 3.8Å; L319-I366 HydrophobicContact CG-CD1 4.19Å; E364-I366 PolarHBondContact O-N 2.94Å; I366-L368 PolarHBondContact O-N 2.88Å |
| 367 | A | 57.6 | Low | 51.7 | Low | 72 Ų | 72 | 100 Ų | 100 | 60% | 0.595 | 54% | 0.536 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69 | 115.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||
| 368 | L | 53.2 | Low | 52.9 | Low | 79 Ų | 79 | 103.2 Ų | 103.2 | 41% | 0.414 | 55% | 0.55 | S | S | . | * | trans | -66.7 | 149.5 | 167.9 | -68.5 | 173.1 | 0 | 0 | 0 | 108.2 | P315 A317 I366 K370 | P315-L368 HydrophobicContact CB-CB 4.41Å; P315-L368 HydrophobicContact CB-CD1 4.22Å; P315-L368 HydrophobicContact CG-CB 4.01Å; P315-L368 HydrophobicContact CG-CD1 4.49Å; P315-L368 WeakPolarHBondContact O-CB 3.36Å; P315-L368 PolarHBondContact O-N 3.36Å; A317-L368 HydrophobicContact CB-CD1 4.04Å; A317-L368 HydrophobicContact CB-CD2 4.15Å; A317-L368 HydrophobicContact CB-CG 3.89Å; I366-L368 PolarHBondContact O-N 2.88Å; L368-K370 PolarHBondContact O-N 3.32Å | ||
| 369 | P | 53 | Low | 54.5 | Low | 111 Ų | 111 | 101.3 Ų | 101.3 | 72% | 0.721 | 55% | 0.545 | S | S | * | . | trans | -51.6 | 133.2 | 168.6 | 22.8 | -31.5 | 0 | 0 | 0 | 107.3 | P371 | P369-P371 VanDerWaalsContact O-N 3.12Š| ||
| 370 | K | 52.5 | Low | 56 | Low | 132 Ų | 132 | 102.9 Ų | 102.9 | 57% | 0.574 | 55% | 0.553 | S | S | * | * | trans | -43.2 | 130 | 168.8 | -71.8 | -176.5 | 178 | -178.3 | 0 | 105.6 | A314 L368 A372 | A314-K370 HydrophobicContact CB-CG 4.4Å; L368-K370 PolarHBondContact O-N 3.32Å; K370-A372 PolarHBondContact O-N 3.45Å | ||
| 371 | P | 54.6 | Low | 57.6 | Low | 91 Ų | 91 | 103 Ų | 103 | 59% | 0.591 | 56% | 0.561 | S | S | * | * | trans | -48 | 117.2 | 174.4 | 22.3 | -31.4 | 0 | 0 | 0 | 103.3 | P369 L373 | P369-P371 VanDerWaalsContact O-N 3.12Å; P371-L373 PolarHBondContact O-N 3.37Å | ||
| 372 | A | 46.2 | Very low | 59.3 | Low | 83 Ų | 83 | 101.1 Ų | 101.1 | 69% | 0.686 | 56% | 0.559 | S | S | * | * | trans | -51 | 112.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 100.8 | K370 I374 | K370-A372 PolarHBondContact O-N 3.45Å; A372-I374 PolarHBondContact O-N 3.47Å | ||
| 373 | L | 45.5 | Very low | 60.6 | Low | 109 Ų | 109 | 101.3 Ų | 101.3 | 57% | 0.571 | 56% | 0.561 | S | S | * | * | trans | -45 | 113 | 166 | -97.1 | 125.2 | 0 | 0 | 0 | 99.6 | P371 R375 | P371-L373 PolarHBondContact O-N 3.37Å; L373-R375 HydrophobicContact CB-CG 3.88Å; L373-R375 PolarHBondContact O-N 3.25Å | ||
| 374 | I | 44.1 | Very low | 62.4 | Low | 136 Ų | 136 | 106.1 Ų | 106.1 | 70% | 0.697 | 58% | 0.583 | S | S | * | * | trans | -65.2 | 83.1 | 168.4 | -61.5 | 173.4 | 0 | 0 | 0 | 99.2 | A372 F376 | A372-I374 PolarHBondContact O-N 3.47Å; I374-F376 HydrophobicContact CG2-CE1 4.45Å; I374-F376 HydrophobicContact CG2-CE2 4.48Å; I374-F376 HydrophobicContact CG2-CZ 4.41Å; I374-F376 WeakPolarHBondContact O-CD2 3.27Å; I374-F376 PolarHBondContact O-N 3.44Å | ||
| 375 | R | 43.4 | Very low | 63.8 | Low | 211 Ų | 211 | 107.4 Ų | 107.4 | 80% | 0.796 | 58% | 0.584 | S | S | * | * | trans | -68.5 | 87.8 | 170.5 | -76.5 | -171.5 | 177.2 | -138.8 | 2 | 97.3 | L373 | L373-R375 HydrophobicContact CB-CG 3.88Å; L373-R375 PolarHBondContact O-N 3.25Å | ||
| 376 | F | 53.9 | Low | 65.1 | Low | 167 Ų | 167 | 107.5 Ų | 107.5 | 73% | 0.732 | 58% | 0.581 | S | S | * | * | trans | -41.4 | 122.8 | 158 | -71.9 | -77.3 | 0 | 0 | 0 | 103.5 | I374 | I374-F376 HydrophobicContact CG2-CE1 4.45Å; I374-F376 HydrophobicContact CG2-CE2 4.48Å; I374-F376 HydrophobicContact CG2-CZ 4.41Å; I374-F376 WeakPolarHBondContact O-CD2 3.27Å; I374-F376 PolarHBondContact O-N 3.44Å | ||
| 377 | P | 59.1 | Low | 66.3 | Low | 103 Ų | 103 | 111.5 Ų | 111.5 | 67% | 0.669 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 137 | -179.6 | 19.8 | -31.4 | 0 | 0 | 0 | 106.6 | ||
| 378 | P | 67.3 | Low | 67.9 | Low | 108 Ų | 108 | 115.6 Ų | 115.6 | 70% | 0.701 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -48 | 137.1 | 178.9 | 21.3 | -32.5 | 0 | 0 | 0 | 108.1 | T380 | P378-T380 PolarHBondContact O-N 2.92Å; P378-T380 VanDerWaalsContact O-N 3.08Å |
| 379 | P | 76.7 | Confident | 69.8 | Low | 73 Ų | 73 | 117.8 Ų | 117.8 | 47% | 0.474 | 60% | 0.602 | S | S | . | * | P | Polyproline II helix | trans | -54.6 | 124.6 | -172.1 | 21 | -32.2 | 0 | 0 | 0 | 108.9 | H383 Q384 | P379-H383 HydrophobicContact CB-CB 3.85Å; P379-Q384 HydrophobicContact CB-CG 4.24Å; P379-Q384 HydrophobicContact CG-CG 4.31Å; P379-Q384 PolarHBondContact O-NE2 3.35Å |
| 380 | T | 81.1 | Confident | 71.5 | Confident | 71 Ų | 71 | 116.7 Ų | 116.7 | 44% | 0.436 | 59% | 0.59 | S | S | . | * | P | Polyproline II helix | trans | -60.4 | 161.1 | 178.4 | 67.3 | 0 | 0 | 0 | 0 | 110.1 | P378 M382 H383 Q384 | P378-T380 PolarHBondContact O-N 2.92Å; P378-T380 VanDerWaalsContact O-N 3.08Å; T380-M382 PolarHBondContact O-N 3.39Å; T380-M382 VanDerWaalsContact O-N 3.09Å; T380-H383 WeakPolarHBondContact O-CB 3.4Å; T380-H383 PolarHBondContact O-N 2.84Å; T380-H383 PolarHBondContact OG1-ND1 3.23Å; T380-Q384 PolarHBondContact O-N 3.32Å |
| 381 | S | 86.6 | Confident | 73.3 | Confident | 101 Ų | 101 | 114.6 Ų | 114.6 | 71% | 0.706 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -50.1 | -36.5 | 175.7 | 55.2 | 0 | 0 | 0 | 0 | 112.5 | Q384 Y385 | S381-Q384 PolarHBondContact O-N 3.38Å; S381-Y385 WeakPolarHBondContact O-CB 3.37Å; S381-Y385 PolarHBondContact O-N 2.82Å |
| 382 | M | 87.1 | Confident | 75 | Confident | 111 Ų | 111 | 112.7 Ų | 112.7 | 55% | 0.547 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.7 | -47 | 173.6 | -171.7 | -174.1 | 75.7 | 0 | 0 | 112.9 | T380 Q384 Y385 I386 | T380-M382 PolarHBondContact O-N 3.39Å; T380-M382 VanDerWaalsContact O-N 3.09Å; M382-Q384 VanDerWaalsContact C-N 3.31Å; M382-Q384 PolarHBondContact O-N 3.49Å; M382-Y385 WeakPolarHBondContact O-CB 3.33Å; M382-Y385 PolarHBondContact O-N 3.31Å; M382-I386 HydrophobicContact CE-CD1 4.41Å; M382-I386 HydrophobicContact CG-CD1 4.02Å; M382-I386 WeakPolarHBondContact O-CG1 3.36Å; M382-I386 PolarHBondContact O-N 3.18Å |
| 383 | H | 81.6 | Confident | 77.2 | Confident | 102 Ų | 102 | 111.3 Ų | 111.3 | 47% | 0.472 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.4 | -41.1 | 176.8 | -72.4 | 86.5 | 0 | 0 | 0 | 111.4 | P379 T380 Y385 I386 R387 | P379-H383 HydrophobicContact CB-CB 3.85Å; T380-H383 WeakPolarHBondContact O-CB 3.4Å; T380-H383 PolarHBondContact O-N 2.84Å; T380-H383 PolarHBondContact OG1-ND1 3.23Å; H383-Y385 VanDerWaalsContact C-N 3.32Å; H383-Y385 PolarHBondContact O-N 3.38Å; H383-I386 PolarHBondContact O-N 2.83Å; H383-R387 VanDerWaalsContact O-CB 3.24Å; H383-R387 WeakPolarHBondContact O-CB 3.49Å; H383-R387 PolarHBondContact O-N 3.23Å |
| 384 | Q | 86.5 | Confident | 79.3 | Confident | 116 Ų | 116 | 110 Ų | 110 | 54% | 0.542 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.5 | -41.1 | 175.8 | -64.4 | -177.7 | 7.4 | 0 | 0 | 111.4 | P379 T380 S381 M382 R387 K388 | P379-Q384 HydrophobicContact CB-CG 4.24Å; P379-Q384 HydrophobicContact CG-CG 4.31Å; P379-Q384 PolarHBondContact O-NE2 3.35Å; T380-Q384 PolarHBondContact O-N 3.32Å; S381-Q384 PolarHBondContact O-N 3.38Å; M382-Q384 VanDerWaalsContact C-N 3.31Å; M382-Q384 PolarHBondContact O-N 3.49Å; Q384-R387 PolarHBondContact O-N 3.25Å; Q384-K388 WeakPolarHBondContact O-CB 3.16Å; Q384-K388 PolarHBondContact O-N 2.84Å |
| 385 | Y | 91.2 | Very high | 81.6 | Confident | 133 Ų | 133 | 110.6 Ų | 110.6 | 52% | 0.522 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.7 | -49.2 | 176.3 | -180 | -98.1 | 0 | 0 | 0 | 112.7 | S381 M382 H383 R387 K388 K389 | S381-Y385 WeakPolarHBondContact O-CB 3.37Å; S381-Y385 PolarHBondContact O-N 2.82Å; M382-Y385 WeakPolarHBondContact O-CB 3.33Å; M382-Y385 PolarHBondContact O-N 3.31Å; H383-Y385 VanDerWaalsContact C-N 3.32Å; H383-Y385 PolarHBondContact O-N 3.38Å; Y385-R387 VanDerWaalsContact C-N 3.29Å; Y385-R387 PolarHBondContact O-N 3.35Å; Y385-K388 PolarHBondContact O-N 3.27Å; Y385-K389 HydrophobicContact CE1-CD 4Å; Y385-K389 HydrophobicContact CE1-CG 4.26Å; Y385-K389 VanDerWaalsContact CZ-CE 3.42Å; Y385-K389 PolarHBondContact O-N 3.45Å; Y385-K389 WeakPolarHBondContact OH-CE 3.42Å; Y385-K389 PolarHBondContact OH-NZ 2.76Å |
| 386 | I | 87.1 | Confident | 83.9 | Confident | 80 Ų | 80 | 106.9 Ų | 106.9 | 41% | 0.41 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -56.9 | -47 | 176.4 | -68.3 | 166.7 | 0 | 0 | 0 | 109.7 | M382 H383 K388 K389 I390 | M382-I386 HydrophobicContact CE-CD1 4.41Å; M382-I386 HydrophobicContact CG-CD1 4.02Å; M382-I386 WeakPolarHBondContact O-CG1 3.36Å; M382-I386 PolarHBondContact O-N 3.18Å; H383-I386 PolarHBondContact O-N 2.83Å; I386-K388 PolarHBondContact O-N 3.23Å; I386-K389 WeakPolarHBondContact O-CB 3.43Å; I386-K389 PolarHBondContact O-N 3.31Å; I386-I390 HydrophobicContact CG2-CD1 3.86Å; I386-I390 WeakPolarHBondContact O-CG1 3.43Å; I386-I390 PolarHBondContact O-N 3.21Å |
| 387 | R | 85.1 | Confident | 85.7 | Confident | 152 Ų | 152 | 104.3 Ų | 104.3 | 57% | 0.574 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.8 | -43.7 | 177.8 | -171.8 | 177.7 | -177.1 | -162.7 | 0.9 | 112 | H383 Q384 Y385 K389 I390 L391 | H383-R387 VanDerWaalsContact O-CB 3.24Å; H383-R387 WeakPolarHBondContact O-CB 3.49Å; H383-R387 PolarHBondContact O-N 3.23Å; Q384-R387 PolarHBondContact O-N 3.25Å; Y385-R387 VanDerWaalsContact C-N 3.29Å; Y385-R387 PolarHBondContact O-N 3.35Å; R387-K389 VanDerWaalsContact C-N 3.31Å; R387-K389 PolarHBondContact O-N 3.32Å; R387-I390 PolarHBondContact O-N 3.39Å; R387-L391 HydrophobicContact CG-CD1 4.16Å; R387-L391 WeakPolarHBondContact O-CG 3.39Å; R387-L391 PolarHBondContact O-N 2.84Å |
| 388 | K | 91.1 | Very high | 87.2 | Confident | 159 Ų | 159 | 104 Ų | 104 | 69% | 0.691 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.9 | -39.5 | 176.4 | -171.8 | 177.8 | -179.8 | -179.6 | 0 | 111.5 | Q384 Y385 I386 A392 | Q384-K388 WeakPolarHBondContact O-CB 3.16Å; Q384-K388 PolarHBondContact O-N 2.84Å; Y385-K388 PolarHBondContact O-N 3.27Å; I386-K388 PolarHBondContact O-N 3.23Å; K388-A392 WeakPolarHBondContact O-CB 3.12Å; K388-A392 PolarHBondContact O-N 2.84Å |
| 389 | K | 92.4 | Very high | 88.4 | Confident | 124 Ų | 124 | 103.7 Ų | 103.7 | 54% | 0.539 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.9 | -45.4 | 173.8 | -83.4 | -155.7 | 174.5 | 175.6 | 0 | 112.7 | Y385 I386 R387 A392 A393 | Y385-K389 HydrophobicContact CE1-CD 4Å; Y385-K389 HydrophobicContact CE1-CG 4.26Å; Y385-K389 VanDerWaalsContact CZ-CE 3.42Å; Y385-K389 PolarHBondContact O-N 3.45Å; Y385-K389 WeakPolarHBondContact OH-CE 3.42Å; Y385-K389 PolarHBondContact OH-NZ 2.76Å; I386-K389 WeakPolarHBondContact O-CB 3.43Å; I386-K389 PolarHBondContact O-N 3.31Å; R387-K389 VanDerWaalsContact C-N 3.31Å; R387-K389 PolarHBondContact O-N 3.32Å; K389-A392 PolarHBondContact O-N 2.72Å; K389-A393 PolarHBondContact O-N 3.24Å |
| 390 | I | 89.2 | Confident | 89.1 | Confident | 88 Ų | 88 | 105.7 Ų | 105.7 | 45% | 0.451 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.5 | -47.5 | 178 | -67.1 | 166.3 | 0 | 0 | 0 | 110.1 | I386 R387 A392 A393 E394 | I386-I390 HydrophobicContact CG2-CD1 3.86Å; I386-I390 WeakPolarHBondContact O-CG1 3.43Å; I386-I390 PolarHBondContact O-N 3.21Å; R387-I390 PolarHBondContact O-N 3.39Å; I390-A392 VanDerWaalsContact C-N 3.31Å; I390-A392 PolarHBondContact O-N 2.93Å; I390-A393 PolarHBondContact O-N 2.73Å; I390-E394 WeakPolarHBondContact O-CB 3.38Å; I390-E394 PolarHBondContact O-N 2.93Å |
| 391 | L | 90 | Very high | 89.5 | Confident | 89 Ų | 89 | 106.1 Ų | 106.1 | 47% | 0.466 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.2 | -35.8 | 177.8 | -70.3 | 172.8 | 0 | 0 | 0 | 112.6 | R387 K395 | R387-L391 HydrophobicContact CG-CD1 4.16Å; R387-L391 WeakPolarHBondContact O-CG 3.39Å; R387-L391 PolarHBondContact O-N 2.84Å; L391-K395 VanDerWaalsContact O-CB 3.25Å; L391-K395 WeakPolarHBondContact O-CB 3.13Å; L391-K395 PolarHBondContact O-N 2.61Å |
| 392 | A | 91.1 | Very high | 89.7 | Confident | 50 Ų | 50 | 106 Ų | 106 | 41% | 0.413 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.5 | -42.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | K388 K389 I390 K395 Q396 | K388-A392 WeakPolarHBondContact O-CB 3.12Å; K388-A392 PolarHBondContact O-N 2.84Å; K389-A392 PolarHBondContact O-N 2.72Å; I390-A392 VanDerWaalsContact C-N 3.31Å; I390-A392 PolarHBondContact O-N 2.93Å; A392-K395 PolarHBondContact O-N 3.11Å; A392-Q396 WeakPolarHBondContact O-CG 3.26Å; A392-Q396 PolarHBondContact O-N 3.37Å |
| 393 | A | 91.6 | Very high | 89.9 | Confident | 54 Ų | 54 | 105 Ų | 105 | 45% | 0.446 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.8 | -44.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | K389 I390 K395 Q396 Q397 | K389-A393 PolarHBondContact O-N 3.24Å; I390-A393 PolarHBondContact O-N 2.73Å; A393-K395 VanDerWaalsContact C-N 3.34Å; A393-K395 PolarHBondContact O-N 3.12Å; A393-Q396 PolarHBondContact O-N 3.24Å; A393-Q397 PolarHBondContact O-N 3.33Å |
| 394 | E | 89.4 | Confident | 90.3 | Very high | 82 Ų | 82 | 106.6 Ų | 106.6 | 38% | 0.383 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.6 | -42.4 | 175.9 | -170 | 179.6 | -173.7 | 0 | 0 | 111.3 | I390 Q396 Q397 M398 | I390-E394 WeakPolarHBondContact O-CB 3.38Å; I390-E394 PolarHBondContact O-N 2.93Å; E394-Q396 PolarHBondContact O-N 3.47Å; E394-Q397 PolarHBondContact O-N 2.72Å; E394-M398 HydrophobicContact CG-CE 4.35Å; E394-M398 WeakPolarHBondContact O-CG 3.41Å; E394-M398 PolarHBondContact O-N 2.99Å |
| 395 | K | 91.9 | Very high | 90.5 | Very high | 148 Ų | 148 | 105.9 Ų | 105.9 | 64% | 0.643 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.9 | -43.4 | 174.3 | -174.5 | -179.6 | -179.8 | -177.7 | 0 | 112.1 | L391 A392 A393 M398 Q399 | L391-K395 VanDerWaalsContact O-CB 3.25Å; L391-K395 WeakPolarHBondContact O-CB 3.13Å; L391-K395 PolarHBondContact O-N 2.61Å; A392-K395 PolarHBondContact O-N 3.11Å; A393-K395 VanDerWaalsContact C-N 3.34Å; A393-K395 PolarHBondContact O-N 3.12Å; K395-M398 PolarHBondContact O-N 2.99Å; K395-Q399 PolarHBondContact O-N 3.37Å |
| 396 | Q | 91.8 | Very high | 90.4 | Very high | 133 Ų | 133 | 102.5 Ų | 102.5 | 62% | 0.621 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.5 | -43.1 | 176.1 | -76.3 | -179.8 | -16.4 | 0 | 0 | 111.7 | A392 A393 E394 Q399 Q400 | A392-Q396 WeakPolarHBondContact O-CG 3.26Å; A392-Q396 PolarHBondContact O-N 3.37Å; A393-Q396 PolarHBondContact O-N 3.24Å; E394-Q396 PolarHBondContact O-N 3.47Å; Q396-Q399 PolarHBondContact O-N 3.01Å; Q396-Q400 WeakPolarHBondContact O-CG 3.46Å; Q396-Q400 PolarHBondContact O-N 2.74Å |
| 397 | Q | 92.2 | Very high | 90.5 | Very high | 114 Ų | 114 | 104.3 Ų | 104.3 | 53% | 0.533 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 176.2 | -173.8 | -177.3 | 3.3 | 0 | 0 | 111.6 | A393 E394 Q399 Q400 N401 | A393-Q397 PolarHBondContact O-N 3.33Å; E394-Q397 PolarHBondContact O-N 2.72Å; Q397-Q399 VanDerWaalsContact C-N 3.34Å; Q397-Q399 PolarHBondContact O-N 3.06Å; Q397-Q400 PolarHBondContact O-N 2.82Å; Q397-N401 VanDerWaalsContact O-CG 3.28Å; Q397-N401 PolarHBondContact O-N 2.75Å |
| 398 | M | 90.2 | Very high | 90.7 | Very high | 96 Ų | 96 | 101.2 Ų | 101.2 | 47% | 0.473 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 174.8 | -75.5 | -169.4 | -68.4 | 0 | 0 | 111.9 | E394 K395 Q400 N401 L402 | E394-M398 HydrophobicContact CG-CE 4.35Å; E394-M398 WeakPolarHBondContact O-CG 3.41Å; E394-M398 PolarHBondContact O-N 2.99Å; K395-M398 PolarHBondContact O-N 2.99Å; M398-Q400 VanDerWaalsContact C-N 3.34Å; M398-Q400 PolarHBondContact O-N 3.15Å; M398-N401 PolarHBondContact O-N 3.09Å; M398-L402 WeakPolarHBondContact O-CG 3.32Å; M398-L402 PolarHBondContact O-N 2.86Å |
| 399 | Q | 92.3 | Very high | 90.5 | Very high | 102 Ų | 102 | 96.7 Ų | 96.7 | 48% | 0.477 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.3 | -41.7 | 177.2 | -168.7 | 65 | 40.2 | 0 | 0 | 111.9 | K395 Q396 Q397 N401 L402 N403 | K395-Q399 PolarHBondContact O-N 3.37Å; Q396-Q399 PolarHBondContact O-N 3.01Å; Q397-Q399 VanDerWaalsContact C-N 3.34Å; Q397-Q399 PolarHBondContact O-N 3.06Å; Q399-N401 VanDerWaalsContact C-N 3.35Å; Q399-L402 PolarHBondContact O-N 3.27Å; Q399-N403 PolarHBondContact NE2-OD1 2.98Å; Q399-N403 VanDerWaalsContact O-CG 3.23Å; Q399-N403 PolarHBondContact O-N 2.9Å; Q399-N403 PolarHBondContact O-OD1 2.74Å |
| 400 | Q | 91 | Very high | 90.2 | Very high | 115 Ų | 115 | 94.1 Ų | 94.1 | 54% | 0.537 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63 | -41.8 | 174.5 | -70.4 | 176.7 | -0.6 | 0 | 0 | 111.9 | Q396 Q397 M398 L402 N403 K404 | Q396-Q400 WeakPolarHBondContact O-CG 3.46Å; Q396-Q400 PolarHBondContact O-N 2.74Å; Q397-Q400 PolarHBondContact O-N 2.82Å; M398-Q400 VanDerWaalsContact C-N 3.34Å; M398-Q400 PolarHBondContact O-N 3.15Å; Q400-L402 VanDerWaalsContact C-N 3.35Å; Q400-N403 PolarHBondContact O-N 3.49Å; Q400-K404 WeakPolarHBondContact O-CG 3.42Å; Q400-K404 PolarHBondContact O-N 3.32Å |
| 401 | N | 91.3 | Very high | 90 | Very high | 80 Ų | 80 | 94.9 Ų | 94.9 | 43% | 0.428 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.8 | -39.7 | 177.1 | -70.4 | -15.7 | 0 | 0 | 0 | 111.8 | Q397 M398 Q399 K404 L405 | Q397-N401 VanDerWaalsContact O-CG 3.28Å; Q397-N401 PolarHBondContact O-N 2.75Å; M398-N401 PolarHBondContact O-N 3.09Å; Q399-N401 VanDerWaalsContact C-N 3.35Å; N401-K404 PolarHBondContact O-N 3.16Å; N401-L405 WeakPolarHBondContact O-CB 3.16Å; N401-L405 PolarHBondContact O-N 3.47Å |
| 402 | L | 90.9 | Very high | 89.6 | Confident | 99 Ų | 99 | 96.5 Ų | 96.5 | 52% | 0.518 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 173.6 | -74.8 | 174 | 0 | 0 | 0 | 111.7 | M398 Q399 Q400 K404 L405 S406 | M398-L402 WeakPolarHBondContact O-CG 3.32Å; M398-L402 PolarHBondContact O-N 2.86Å; Q399-L402 PolarHBondContact O-N 3.27Å; Q400-L402 VanDerWaalsContact C-N 3.35Å; L402-K404 VanDerWaalsContact C-N 3.34Å; L402-K404 PolarHBondContact O-N 3.29Å; L402-L405 PolarHBondContact O-N 2.9Å; L402-S406 PolarHBondContact O-N 2.95Å; L402-S406 PolarHBondContact O-OG 3.32Å |
| 403 | N | 91.2 | Very high | 89.3 | Confident | 88 Ų | 88 | 99.4 Ų | 99.4 | 47% | 0.471 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.1 | -38.3 | 177.3 | -67.8 | -3.6 | 0 | 0 | 0 | 112.1 | Q399 Q400 S406 H407 | Q399-N403 PolarHBondContact NE2-OD1 2.98Å; Q399-N403 VanDerWaalsContact O-CG 3.23Å; Q399-N403 PolarHBondContact O-N 2.9Å; Q399-N403 PolarHBondContact O-OD1 2.74Å; Q400-N403 PolarHBondContact O-N 3.49Å; N403-S406 WeakPolarHBondContact CA-OG 3.4Å; N403-S406 PolarHBondContact O-N 3.46Å; N403-S406 PolarHBondContact O-OG 2.95Å; N403-H407 WeakPolarHBondContact O-CB 3.14Å; N403-H407 PolarHBondContact O-N 3.46Å |
| 404 | K | 90 | Very high | 89 | Confident | 137 Ų | 137 | 104.9 Ų | 104.9 | 60% | 0.596 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.2 | -43 | 173.4 | -72.7 | 173.1 | -177.1 | 176.1 | 0 | 111.5 | Q400 N401 L402 H407 L408 | Q400-K404 WeakPolarHBondContact O-CG 3.42Å; Q400-K404 PolarHBondContact O-N 3.32Å; N401-K404 PolarHBondContact O-N 3.16Å; L402-K404 VanDerWaalsContact C-N 3.34Å; L402-K404 PolarHBondContact O-N 3.29Å; K404-H407 PolarHBondContact O-N 3.25Å; K404-L408 PolarHBondContact O-N 2.91Å |
| 405 | L | 89.6 | Confident | 88.5 | Confident | 100 Ų | 100 | 103.7 Ų | 103.7 | 52% | 0.524 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.6 | -43.2 | 177.3 | -174.4 | 67.9 | 0 | 0 | 0 | 111.2 | N401 L402 H407 L408 T409 | N401-L405 WeakPolarHBondContact O-CB 3.16Å; N401-L405 PolarHBondContact O-N 3.47Å; L402-L405 PolarHBondContact O-N 2.9Å; L405-H407 VanDerWaalsContact C-N 3.28Å; L405-H407 PolarHBondContact O-N 2.72Å; L405-L408 PolarHBondContact O-N 2.96Å; L405-T409 WeakPolarHBondContact O-CG2 3.21Å; L405-T409 PolarHBondContact O-N 3.29Å; L405-T409 PolarHBondContact O-OG1 3.3Å |
| 406 | S | 89.5 | Confident | 87.9 | Confident | 63 Ų | 63 | 101 Ų | 101 | 44% | 0.441 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64 | -34.8 | 176.1 | 60.1 | 0 | 0 | 0 | 0 | 112.4 | L402 N403 T409 E410 | L402-S406 PolarHBondContact O-N 2.95Å; L402-S406 PolarHBondContact O-OG 3.32Å; N403-S406 WeakPolarHBondContact CA-OG 3.4Å; N403-S406 PolarHBondContact O-N 3.46Å; N403-S406 PolarHBondContact O-OG 2.95Å; S406-T409 WeakPolarHBondContact CA-OG1 3.09Å; S406-T409 PolarHBondContact O-OG1 2.69Å; S406-E410 WeakPolarHBondContact O-CB 3.07Å; S406-E410 PolarHBondContact O-N 2.81Å; S406-E410 VanDerWaalsContact O-N 3.1Å |
| 407 | H | 89 | Confident | 87.4 | Confident | 117 Ų | 117 | 99.8 Ų | 99.8 | 54% | 0.542 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.1 | -46 | 174.7 | -173.9 | 51.5 | 0 | 0 | 0 | 111.4 | N403 K404 L405 T409 E410 E411 | N403-H407 WeakPolarHBondContact O-CB 3.14Å; N403-H407 PolarHBondContact O-N 3.46Å; K404-H407 PolarHBondContact O-N 3.25Å; L405-H407 VanDerWaalsContact C-N 3.28Å; L405-H407 PolarHBondContact O-N 2.72Å; H407-T409 VanDerWaalsContact C-N 3.33Å; H407-T409 PolarHBondContact O-N 3.02Å; H407-E410 WeakPolarHBondContact O-CB 3.48Å; H407-E410 PolarHBondContact O-N 3.34Å; H407-E410 VanDerWaalsContact O-N 3.15Å; H407-E411 IonicContact NE2-OE1 3.08Å; H407-E411 PolarHBondContact O-N 3.25Å |
| 408 | L | 88.8 | Confident | 86.9 | Confident | 87 Ų | 87 | 96 Ų | 96 | 46% | 0.455 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.4 | -41.7 | 176.5 | -176 | 69.9 | 0 | 0 | 0 | 111.9 | K404 L405 E410 E411 M412 | K404-L408 PolarHBondContact O-N 2.91Å; L405-L408 PolarHBondContact O-N 2.96Å; L408-E410 VanDerWaalsContact C-N 3.3Å; L408-E410 PolarHBondContact O-N 2.95Å; L408-E411 PolarHBondContact O-N 3.3Å; L408-M412 WeakPolarHBondContact O-CG 3.44Å; L408-M412 PolarHBondContact O-N 3.02Å |
| 409 | T | 86.5 | Confident | 86.3 | Confident | 65 Ų | 65 | 97.8 Ų | 97.8 | 40% | 0.399 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.6 | -30.9 | 177.4 | 54.4 | 0 | 0 | 0 | 0 | 112.5 | L405 S406 H407 R413 | L405-T409 WeakPolarHBondContact O-CG2 3.21Å; L405-T409 PolarHBondContact O-N 3.29Å; L405-T409 PolarHBondContact O-OG1 3.3Å; S406-T409 WeakPolarHBondContact CA-OG1 3.09Å; S406-T409 PolarHBondContact O-OG1 2.69Å; H407-T409 VanDerWaalsContact C-N 3.33Å; H407-T409 PolarHBondContact O-N 3.02Å; T409-R413 WeakPolarHBondContact O-CB 3.08Å; T409-R413 PolarHBondContact O-N 3.28Å |
| 410 | E | 87.8 | Confident | 85.5 | Confident | 69 Ų | 69 | 99.5 Ų | 99.5 | 32% | 0.322 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68 | -44.2 | 172 | -158.6 | 70.4 | -155.3 | 0 | 0 | 111.6 | S406 H407 L408 R413 R414 | S406-E410 WeakPolarHBondContact O-CB 3.07Å; S406-E410 PolarHBondContact O-N 2.81Å; S406-E410 VanDerWaalsContact O-N 3.1Å; H407-E410 WeakPolarHBondContact O-CB 3.48Å; H407-E410 PolarHBondContact O-N 3.34Å; H407-E410 VanDerWaalsContact O-N 3.15Å; L408-E410 VanDerWaalsContact C-N 3.3Å; L408-E410 PolarHBondContact O-N 2.95Å; E410-R413 WeakPolarHBondContact O-CB 3.24Å; E410-R413 PolarHBondContact O-N 2.78Å; E410-R413 IonicContact OE1-CZ 3.99Å; E410-R413 IonicContact OE1-NH1 3.59Å; E410-R413 PolarHBondContact OE1-NH1 2.96Å; E410-R413 IonicContact OE1-NH2 2.77Å; E410-R413 IonicContact OE2-CZ 2.68Å; E410-R413 IonicContact OE2-NH1 3.62Å; E410-R413 PolarHBondContact OE2-NH1 3.27Å; E410-R413 IonicContact OE2-NH2 2.81Å; E410-R413 PolarHBondContact OE2-NH2 2.92Å; E410-R414 WeakPolarHBondContact O-CG 3.14Å; E410-R414 PolarHBondContact O-N 3.04Å |
| 411 | E | 84.2 | Confident | 84.5 | Confident | 104 Ų | 104 | 99.8 Ų | 99.8 | 49% | 0.486 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.2 | -44.2 | 175.2 | -71.3 | -170.7 | 147.7 | 0 | 0 | 111.8 | H407 L408 R413 R414 A415 | H407-E411 IonicContact NE2-OE1 3.08Å; H407-E411 PolarHBondContact O-N 3.25Å; L408-E411 PolarHBondContact O-N 3.3Å; E411-R413 VanDerWaalsContact C-N 3.29Å; E411-R413 PolarHBondContact O-N 3.03Å; E411-R414 PolarHBondContact O-N 3.47Å; E411-A415 WeakPolarHBondContact O-CB 3.32Å; E411-A415 PolarHBondContact O-N 3.23Å |
| 412 | M | 81.7 | Confident | 83.7 | Confident | 124 Ų | 124 | 101.4 Ų | 101.4 | 61% | 0.611 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.7 | -39.1 | 174.1 | -73.2 | -177.3 | 70.7 | 0 | 0 | 111.8 | L408 A415 L416 | L408-M412 WeakPolarHBondContact O-CG 3.44Å; L408-M412 PolarHBondContact O-N 3.02Å; M412-A415 PolarHBondContact O-N 3.43Å; M412-L416 WeakPolarHBondContact O-CB 3.37Å; M412-L416 PolarHBondContact O-N 3.48Å |
| 413 | R | 85.4 | Confident | 83 | Confident | 110 Ų | 110 | 99.5 Ų | 99.5 | 42% | 0.415 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.1 | -45.9 | 176.5 | -165.7 | -171.9 | -47.6 | 134.6 | 18.9 | 111.4 | T409 E410 E411 A415 L416 E417 | T409-R413 WeakPolarHBondContact O-CB 3.08Å; T409-R413 PolarHBondContact O-N 3.28Å; E410-R413 WeakPolarHBondContact O-CB 3.24Å; E410-R413 PolarHBondContact O-N 2.78Å; E410-R413 IonicContact OE1-CZ 3.99Å; E410-R413 IonicContact OE1-NH1 3.59Å; E410-R413 PolarHBondContact OE1-NH1 2.96Å; E410-R413 IonicContact OE1-NH2 2.77Å; E410-R413 IonicContact OE2-CZ 2.68Å; E410-R413 IonicContact OE2-NH1 3.62Å; E410-R413 PolarHBondContact OE2-NH1 3.27Å; E410-R413 IonicContact OE2-NH2 2.81Å; E410-R413 PolarHBondContact OE2-NH2 2.92Å; E411-R413 VanDerWaalsContact C-N 3.29Å; E411-R413 PolarHBondContact O-N 3.03Å; R413-A415 PolarHBondContact O-N 2.97Å; R413-L416 PolarHBondContact O-N 3.23Å; R413-E417 WeakPolarHBondContact O-CG 3.43Å; R413-E417 PolarHBondContact O-N 3.04Å |
| 414 | R | 83.5 | Confident | 82 | Confident | 170 Ų | 170 | 97.9 Ų | 97.9 | 64% | 0.642 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63 | -40.3 | 175.9 | -70.1 | 179.2 | -175 | -172.4 | 0.4 | 112.3 | E410 E411 L416 E417 G418 | E410-R414 WeakPolarHBondContact O-CG 3.14Å; E410-R414 PolarHBondContact O-N 3.04Å; E411-R414 PolarHBondContact O-N 3.47Å; R414-L416 VanDerWaalsContact C-N 3.35Å; R414-E417 PolarHBondContact O-N 3.47Å; R414-G418 PolarHBondContact O-N 3.04Å |
| 415 | A | 79.1 | Confident | 81.3 | Confident | 56 Ų | 56 | 95.6 Ų | 95.6 | 46% | 0.463 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.9 | -41.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | E411 M412 R413 G418 Q419 | E411-A415 WeakPolarHBondContact O-CB 3.32Å; E411-A415 PolarHBondContact O-N 3.23Å; M412-A415 PolarHBondContact O-N 3.43Å; R413-A415 PolarHBondContact O-N 2.97Å; A415-G418 PolarHBondContact O-N 2.97Å; A415-Q419 WeakPolarHBondContact O-CB 3.32Å; A415-Q419 WeakPolarHBondContact O-CG 3.41Å; A415-Q419 PolarHBondContact O-N 3.04Å |
| 416 | L | 80.7 | Confident | 80.8 | Confident | 91 Ų | 91 | 97.9 Ų | 97.9 | 48% | 0.476 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.4 | -42.3 | 175.8 | -169.9 | 75.8 | 0 | 0 | 0 | 111.8 | M412 R413 R414 Q419 K420 | M412-L416 WeakPolarHBondContact O-CB 3.37Å; M412-L416 PolarHBondContact O-N 3.48Å; R413-L416 PolarHBondContact O-N 3.23Å; R414-L416 VanDerWaalsContact C-N 3.35Å; L416-Q419 PolarHBondContact O-N 3.46Å; L416-K420 WeakPolarHBondContact O-CG 3.44Å; L416-K420 PolarHBondContact O-N 3.46Å |
| 417 | E | 81.1 | Confident | 80.4 | Confident | 109 Ų | 109 | 102.3 Ų | 102.3 | 51% | 0.509 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 173.9 | -75.6 | 170.4 | -171.3 | 0 | 0 | 111.5 | R413 R414 Q419 K420 L421 | R413-E417 WeakPolarHBondContact O-CG 3.43Å; R413-E417 PolarHBondContact O-N 3.04Å; R414-E417 PolarHBondContact O-N 3.47Å; E417-Q419 PolarHBondContact O-N 3.44Å; E417-K420 PolarHBondContact O-N 3.45Å; E417-L421 WeakPolarHBondContact O-CB 3.46Å; E417-L421 PolarHBondContact O-N 3.06Å |
| 418 | G | 80.8 | Confident | 79.7 | Confident | 33 Ų | 33 | 102 Ų | 102 | 34% | 0.34 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.1 | -40.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | R414 A415 L421 M422 | R414-G418 PolarHBondContact O-N 3.04Å; A415-G418 PolarHBondContact O-N 2.97Å; G418-L421 PolarHBondContact O-N 3.31Å; G418-M422 WeakPolarHBondContact O-CB 3.45Å; G418-M422 WeakPolarHBondContact O-CG 3.13Å; G418-M422 PolarHBondContact O-N 2.97Å |
| 419 | Q | 77.7 | Confident | 79.1 | Confident | 135 Ų | 135 | 103 Ų | 103 | 63% | 0.631 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.3 | -41.4 | 173.9 | -77.6 | -176.4 | -5.6 | 0 | 0 | 112.3 | A415 L416 E417 L421 M422 A423 | A415-Q419 WeakPolarHBondContact O-CB 3.32Å; A415-Q419 WeakPolarHBondContact O-CG 3.41Å; A415-Q419 PolarHBondContact O-N 3.04Å; L416-Q419 PolarHBondContact O-N 3.46Å; E417-Q419 PolarHBondContact O-N 3.44Å; Q419-L421 VanDerWaalsContact C-N 3.33Å; Q419-M422 PolarHBondContact O-N 3.18Å; Q419-A423 VanDerWaalsContact O-CB 3.32Å; Q419-A423 WeakPolarHBondContact O-CB 3.43Å; Q419-A423 PolarHBondContact O-N 2.9Å |
| 420 | K | 76.4 | Confident | 78.6 | Confident | 138 Ų | 138 | 102.3 Ų | 102.3 | 60% | 0.6 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61 | -42.6 | 173.6 | -74.7 | 176.6 | 179.7 | -177 | 0 | 111.5 | L416 E417 A423 A424 | L416-K420 WeakPolarHBondContact O-CG 3.44Å; L416-K420 PolarHBondContact O-N 3.46Å; E417-K420 PolarHBondContact O-N 3.45Å; K420-A423 PolarHBondContact O-N 3Å; K420-A424 WeakPolarHBondContact O-CB 3.5Å; K420-A424 PolarHBondContact O-N 3.31Å |
| 421 | L | 70.2 | Confident | 77.9 | Confident | 120 Ų | 120 | 101.4 Ų | 101.4 | 63% | 0.628 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.7 | -47.8 | 174.8 | -114.6 | 160.8 | 0 | 0 | 0 | 111.5 | E417 G418 Q419 A423 A424 L425 | E417-L421 WeakPolarHBondContact O-CB 3.46Å; E417-L421 PolarHBondContact O-N 3.06Å; G418-L421 PolarHBondContact O-N 3.31Å; Q419-L421 VanDerWaalsContact C-N 3.33Å; L421-A423 VanDerWaalsContact C-N 3.34Å; L421-A423 PolarHBondContact O-N 3.46Å; L421-A424 PolarHBondContact O-N 3.36Å; L421-L425 WeakPolarHBondContact O-CB 3.41Å; L421-L425 PolarHBondContact O-N 3.05Å |
| 422 | M | 74.7 | Confident | 77.2 | Confident | 115 Ų | 115 | 100.5 Ų | 100.5 | 57% | 0.567 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.8 | -38.5 | 176.9 | -75.4 | -62.2 | -61.8 | 0 | 0 | 112.7 | G418 Q419 L425 K426 | G418-M422 WeakPolarHBondContact O-CB 3.45Å; G418-M422 WeakPolarHBondContact O-CG 3.13Å; G418-M422 PolarHBondContact O-N 2.97Å; Q419-M422 PolarHBondContact O-N 3.18Å; M422-L425 PolarHBondContact O-N 3.05Å; M422-K426 WeakPolarHBondContact O-CB 3.48Å; M422-K426 WeakPolarHBondContact O-CG 3.18Å; M422-K426 PolarHBondContact O-N 3.4Å |
| 423 | A | 75.1 | Confident | 76 | Confident | 59 Ų | 59 | 98 Ų | 98 | 49% | 0.488 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.3 | -43.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q419 K420 L421 L425 K426 F427 | Q419-A423 VanDerWaalsContact O-CB 3.32Å; Q419-A423 WeakPolarHBondContact O-CB 3.43Å; Q419-A423 PolarHBondContact O-N 2.9Å; K420-A423 PolarHBondContact O-N 3Å; L421-A423 VanDerWaalsContact C-N 3.34Å; L421-A423 PolarHBondContact O-N 3.46Å; A423-L425 VanDerWaalsContact C-N 3.33Å; A423-L425 PolarHBondContact O-N 3.38Å; A423-K426 PolarHBondContact O-N 2.69Å; A423-F427 WeakPolarHBondContact O-CB 3.36Å; A423-F427 PolarHBondContact O-N 2.99Å |
| 424 | A | 70.9 | Confident | 74.6 | Confident | 53 Ų | 53 | 98.7 Ų | 98.7 | 44% | 0.438 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.5 | -39.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | K420 L421 F427 L428 | K420-A424 WeakPolarHBondContact O-CB 3.5Å; K420-A424 PolarHBondContact O-N 3.31Å; L421-A424 PolarHBondContact O-N 3.36Å; A424-F427 PolarHBondContact O-N 3.13Å; A424-L428 PolarHBondContact O-N 3.4Å |
| 425 | L | 74.2 | Confident | 73 | Confident | 89 Ų | 89 | 98.8 Ų | 98.8 | 47% | 0.466 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69 | -42 | 178.4 | -140.6 | 154.8 | 0 | 0 | 0 | 111.5 | L421 M422 A423 F427 L428 L429 | L421-L425 WeakPolarHBondContact O-CB 3.41Å; L421-L425 PolarHBondContact O-N 3.05Å; M422-L425 PolarHBondContact O-N 3.05Å; A423-L425 VanDerWaalsContact C-N 3.33Å; A423-L425 PolarHBondContact O-N 3.38Å; L425-F427 VanDerWaalsContact C-N 3.34Å; L425-F427 PolarHBondContact O-N 3.49Å; L425-L428 PolarHBondContact O-N 3.27Å; L425-L429 HydrophobicContact CD2-CD1 3.84Å; L425-L429 HydrophobicContact CD2-CG 4.25Å; L425-L429 WeakPolarHBondContact O-CG 3.5Å; L425-L429 PolarHBondContact O-N 3.42Å |
| 426 | K | 80 | Confident | 71.5 | Confident | 148 Ų | 148 | 105.3 Ų | 105.3 | 64% | 0.643 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60.8 | -41.3 | 171 | -79.6 | -174.3 | 178.1 | -174.8 | 0 | 112.1 | M422 A423 L429 A430 | M422-K426 WeakPolarHBondContact O-CB 3.48Å; M422-K426 WeakPolarHBondContact O-CG 3.18Å; M422-K426 PolarHBondContact O-N 3.4Å; A423-K426 PolarHBondContact O-N 2.69Å; K426-L429 PolarHBondContact O-N 3.41Å; K426-A430 WeakPolarHBondContact O-CB 3.46Å; K426-A430 PolarHBondContact O-N 3.18Å |
| 427 | F | 81 | Confident | 69.7 | Low | 156 Ų | 156 | 112.8 Ų | 112.8 | 68% | 0.684 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63.4 | -45 | 177.3 | -177.9 | -95.1 | 0 | 0 | 0 | 111.7 | A423 A424 L425 A430 S431 | A423-F427 WeakPolarHBondContact O-CB 3.36Å; A423-F427 PolarHBondContact O-N 2.99Å; A424-F427 PolarHBondContact O-N 3.13Å; L425-F427 VanDerWaalsContact C-N 3.34Å; L425-F427 PolarHBondContact O-N 3.49Å; F427-A430 PolarHBondContact O-N 3.47Å; F427-S431 PolarHBondContact O-N 3.46Å; F427-S431 PolarHBondContact O-OG 3.15Å |
| 428 | L | 73.3 | Confident | 69.1 | Low | 110 Ų | 110 | 113 Ų | 113 | 58% | 0.576 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -59.8 | -46.9 | 174.8 | -85.2 | 162.5 | 0 | 0 | 0 | 112.1 | A424 L425 A430 S431 T432 | A424-L428 PolarHBondContact O-N 3.4Å; L425-L428 PolarHBondContact O-N 3.27Å; L428-A430 VanDerWaalsContact C-N 3.34Å; L428-A430 PolarHBondContact O-N 3.49Å; L428-S431 WeakPolarHBondContact CA-OG 3.4Å; L428-S431 PolarHBondContact O-N 3.15Å; L428-S431 PolarHBondContact O-OG 2.98Å; L428-S431 VanDerWaalsContact O-OG 3.11Å; L428-T432 WeakPolarHBondContact O-CG2 3.31Å; L428-T432 PolarHBondContact O-N 3.04Å; L428-T432 PolarHBondContact O-OG1 3.38Å |
| 429 | L | 77.4 | Confident | 68.5 | Low | 108 Ų | 108 | 117.2 Ų | 117.2 | 57% | 0.565 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -61.6 | -42.7 | 177.2 | -72 | 169.8 | 0 | 0 | 0 | 111.8 | L425 K426 S431 T432 S433 | L425-L429 HydrophobicContact CD2-CD1 3.84Å; L425-L429 HydrophobicContact CD2-CG 4.25Å; L425-L429 WeakPolarHBondContact O-CG 3.5Å; L425-L429 PolarHBondContact O-N 3.42Å; K426-L429 PolarHBondContact O-N 3.41Å; L429-S431 VanDerWaalsContact C-N 3.34Å; L429-S431 PolarHBondContact O-N 3.33Å; L429-T432 PolarHBondContact O-N 3.26Å; L429-T432 PolarHBondContact O-OG1 3.29Å; L429-S433 PolarHBondContact O-N 3.34Å; L429-S433 VanDerWaalsContact O-N 3.15Å |
| 430 | A | 75.8 | Confident | 68 | Low | 51 Ų | 51 | 116.2 Ų | 116.2 | 42% | 0.421 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -67.6 | -30.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | K426 F427 L428 S433 | K426-A430 WeakPolarHBondContact O-CB 3.46Å; K426-A430 PolarHBondContact O-N 3.18Å; F427-A430 PolarHBondContact O-N 3.47Å; L428-A430 VanDerWaalsContact C-N 3.34Å; L428-A430 PolarHBondContact O-N 3.49Å; A430-S433 PolarHBondContact O-OG 2.99Å; A430-S433 VanDerWaalsContact O-OG 3.1Å |
| 431 | S | 72.1 | Confident | 67.5 | Low | 51 Ų | 51 | 114.9 Ų | 114.9 | 36% | 0.357 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -73.9 | -37 | 174.7 | 21.6 | 0 | 0 | 0 | 0 | 111.4 | F427 L428 L429 S433 N434 | F427-S431 PolarHBondContact O-N 3.46Å; F427-S431 PolarHBondContact O-OG 3.15Å; L428-S431 WeakPolarHBondContact CA-OG 3.4Å; L428-S431 PolarHBondContact O-N 3.15Å; L428-S431 PolarHBondContact O-OG 2.98Å; L428-S431 VanDerWaalsContact O-OG 3.11Å; L429-S431 VanDerWaalsContact C-N 3.34Å; L429-S431 PolarHBondContact O-N 3.33Å; S431-S433 VanDerWaalsContact C-N 3.33Å; S431-S433 PolarHBondContact O-N 3.22Å; S431-N434 PolarHBondContact O-N 3.19Å |
| 432 | T | 69.5 | Low | 67.3 | Low | 85 Ų | 85 | 114.6 Ų | 114.6 | 52% | 0.521 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -69.7 | -25.6 | 175 | 60.9 | 0 | 0 | 0 | 0 | 114.1 | L428 L429 | L428-T432 WeakPolarHBondContact O-CG2 3.31Å; L428-T432 PolarHBondContact O-N 3.04Å; L428-T432 PolarHBondContact O-OG1 3.38Å; L429-T432 PolarHBondContact O-N 3.26Å; L429-T432 PolarHBondContact O-OG1 3.29Å |
| 433 | S | 58.2 | Low | 66.8 | Low | 71 Ų | 71 | 114.6 Ų | 114.6 | 50% | 0.497 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -79.6 | -20.3 | 178.2 | 66.2 | 0 | 0 | 0 | 0 | 113.7 | L429 A430 S431 | L429-S433 PolarHBondContact O-N 3.34Å; L429-S433 VanDerWaalsContact O-N 3.15Å; A430-S433 PolarHBondContact O-OG 2.99Å; A430-S433 VanDerWaalsContact O-OG 3.1Å; S431-S433 VanDerWaalsContact C-N 3.33Å; S431-S433 PolarHBondContact O-N 3.22Å |
| 434 | N | 54.3 | Low | 66.2 | Low | 125 Ų | 125 | 118.6 Ų | 118.6 | 67% | 0.668 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -82.9 | -14.8 | 177.9 | -79.2 | -17 | 0 | 0 | 0 | 113.8 | S431 K436 | S431-N434 PolarHBondContact O-N 3.19Å; N434-K436 VanDerWaalsContact C-N 3.33Å |
| 435 | E | 51.4 | Low | 65.8 | Low | 171 Ų | 171 | 123.6 Ų | 123.6 | 80% | 0.799 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -3.4 | 174.2 | -78.4 | -173.9 | 159.8 | 0 | 0 | 113.9 | ||
| 436 | K | 46.8 | Very low | 65.1 | Low | 193 Ų | 193 | 126.5 Ų | 126.5 | 84% | 0.839 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.7 | 20.8 | -178.7 | -72 | -170 | 176.5 | -177.6 | 0 | 114.7 | N434 | N434-K436 VanDerWaalsContact C-N 3.33Š|
| 437 | K | 42.1 | Very low | 63.8 | Low | 249 Ų | 249 | 124.5 Ų | 124.5 | 100% | 1.083 | 64% | 0.637 | S | S | * | * | trans | -119.4 | 0 | 162.7 | -77.8 | -175.2 | 177.2 | -179.6 | 0 | 108.4 |
Retrieved 437 of 437 residues in 87.6 ms
(Link to these results)