| 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 | 37.2 | Very low | 37.5 | Very low | 231 Ų | 231 | 176.5 Ų | 176.5 | 100% | 1.138 | 85% | 0.851 | S | S | * | * | 0 | 95.1 | 0 | -74.6 | 164.4 | 169 | 0 | 0 | 107.4 | |||||
| 2 | T | 35.6 | Very low | 37.5 | Very low | 114 Ų | 114 | 171.4 Ų | 171.4 | 70% | 0.699 | 85% | 0.847 | S | S | * | * | 54.1 | 127.9 | 91.4 | 56.9 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 3 | F | 36.2 | Very low | 37.1 | Very low | 168 Ų | 168 | 163.5 Ų | 163.5 | 74% | 0.737 | 84% | 0.836 | S | S | * | * | cis | -164 | 151.5 | -2.9 | -101.8 | -73.7 | 0 | 0 | 0 | 107.8 | ||||
| 4 | R | 40.8 | Very low | 37.1 | Very low | 226 Ų | 226 | 161.6 Ų | 161.6 | 85% | 0.853 | 84% | 0.835 | S | S | * | * | trans | 22 | 139.6 | 144.3 | -65 | 172.7 | -176.4 | -176.6 | 1.1 | 121.6 | ||||
| 5 | R | 36.7 | Very low | 37 | Very low | 242 Ų | 242 | 161.4 Ų | 161.4 | 91% | 0.913 | 84% | 0.836 | S | S | * | * | -158.2 | 117.5 | 114.8 | -139.9 | 171.9 | -167.5 | 162.2 | 3.1 | 113.8 | |||||
| 6 | L | 41.8 | Very low | 36.6 | Very low | 171 Ų | 171 | 155.9 Ų | 155.9 | 90% | 0.895 | 83% | 0.831 | S | S | * | * | trans | -88.7 | 138.8 | 153.3 | -93.9 | 151.9 | 0 | 0 | 0 | 107.7 | ||||
| 7 | K | 41.3 | Very low | 36.2 | Very low | 202 Ų | 202 | 150.9 Ų | 150.9 | 88% | 0.878 | 83% | 0.826 | S | S | * | * | trans | -156.5 | 132.1 | 140.7 | -148 | 178.2 | 175.8 | 179.2 | 0 | 112.4 | ||||
| 8 | K | 39 | Very low | 35.9 | Very low | 185 Ų | 185 | 149.4 Ų | 149.4 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | trans | -78.7 | 159.2 | 172.6 | -176.8 | 174.6 | -179.2 | 175.3 | 0 | 110.4 | ||||
| 9 | V | 34.6 | Very low | 35.7 | Very low | 125 Ų | 125 | 146.4 Ų | 146.4 | 76% | 0.758 | 82% | 0.824 | S | S | * | * | 153.9 | 132 | 125.1 | 168 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 10 | N | 33.1 | Very low | 35.7 | Very low | 159 Ų | 159 | 144.5 Ų | 144.5 | 85% | 0.85 | 82% | 0.821 | S | S | * | * | trans | -30.4 | 154.3 | 165.6 | -72.4 | -12.5 | 0 | 0 | 0 | 118.2 | ||||
| 11 | S | 36.3 | Very low | 35.7 | Very low | 119 Ų | 119 | 146.6 Ų | 146.6 | 83% | 0.832 | 82% | 0.824 | S | S | * | * | -167.1 | 138.5 | 127.5 | -174.2 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 12 | S | 37.1 | Very low | 35.6 | Very low | 115 Ų | 115 | 143.6 Ų | 143.6 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -88.8 | 168.4 | 177.3 | 47.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 13 | G | 33 | Very low | 35.6 | Very low | 68 Ų | 68 | 145 Ų | 145 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | trans | 111.7 | 106.9 | 160.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 14 | V | 36.9 | Very low | 35.7 | Very low | 137 Ų | 137 | 145.1 Ų | 145.1 | 83% | 0.83 | 82% | 0.824 | S | S | * | * | 89.7 | 126.1 | 64.6 | 176.1 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 15 | D | 34.7 | Very low | 35.5 | Very low | 159 Ų | 159 | 142 Ų | 142 | 85% | 0.85 | 82% | 0.822 | S | S | * | * | trans | 65.1 | 127.8 | 156 | -77.3 | -27.1 | 0 | 0 | 0 | 124.1 | ||||
| 16 | G | 31.1 | Very low | 35.2 | Very low | 73 Ų | 73 | 138.8 Ų | 138.8 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | 117.6 | 116.1 | 104.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 17 | G | 30.6 | Very low | 34.7 | Very low | 72 Ų | 72 | 138.6 Ų | 138.6 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | trans | 77.8 | 112.3 | 147.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 18 | S | 30.8 | Very low | 34.4 | Very low | 123 Ų | 123 | 134.2 Ų | 134.2 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | 88.7 | 118.7 | 65.3 | 70.9 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 19 | A | 31.7 | Very low | 34.2 | Very low | 92 Ų | 92 | 131.3 Ų | 131.3 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | trans | 88 | 110.3 | 147.7 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 20 | S | 35.8 | Very low | 34.3 | Very low | 109 Ų | 109 | 130.5 Ų | 130.5 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | 149.6 | 121.7 | 103.5 | -67.8 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 21 | Q | 34.9 | Very low | 34.4 | Very low | 189 Ų | 189 | 132 Ų | 132 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | trans | 34.7 | 115.9 | 148.3 | -71.1 | 176 | -13.6 | 0 | 0 | 120.8 | ||||
| 22 | D | 36.6 | Very low | 34.9 | Very low | 167 Ų | 167 | 131.3 Ų | 131.3 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | -152.9 | 139.1 | 120.2 | -126 | -20.2 | 0 | 0 | 0 | 111.2 | |||||
| 23 | N | 33.6 | Very low | 34.5 | Very low | 144 Ų | 144 | 133.3 Ų | 133.3 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | trans | -88.6 | 118.5 | -177.8 | -79.6 | -54.2 | 0 | 0 | 0 | 109.9 | ||||
| 24 | D | 39.3 | Very low | 34.7 | Very low | 170 Ų | 170 | 134.8 Ų | 134.8 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | trans | -134.3 | 129.1 | 155.6 | -93 | -38 | 0 | 0 | 0 | 110.6 | ||||
| 25 | I | 37.1 | Very low | 34.4 | Very low | 160 Ų | 160 | 134.4 Ų | 134.4 | 82% | 0.821 | 80% | 0.796 | S | S | * | * | trans | -92.1 | 123.5 | -168.5 | -73.9 | 173.1 | 0 | 0 | 0 | 109.3 | ||||
| 26 | Y | 30.3 | Very low | 34.3 | Very low | 176 Ų | 176 | 137.3 Ų | 137.3 | 69% | 0.69 | 80% | 0.795 | S | S | * | * | trans | 88.6 | 98.4 | 140.3 | -149.9 | -123.5 | 0 | 0 | 0 | 120.7 | ||||
| 27 | F | 31.4 | Very low | 34.7 | Very low | 167 Ų | 167 | 140.1 Ų | 140.1 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | 168.5 | 106.2 | 107.2 | -98.5 | -72.5 | 0 | 0 | 0 | 108.9 | |||||
| 28 | P | 34.4 | Very low | 35 | Very low | 110 Ų | 110 | 142.2 Ų | 142.2 | 71% | 0.714 | 80% | 0.796 | S | S | * | * | trans | -87.9 | 116.3 | 176.2 | 28.8 | -22.4 | 0 | 0 | 0 | 111.2 | S30 | P28-S30 PolarHBondContact O-N 3.23Š| ||
| 29 | S | 36 | Very low | 35.6 | Very low | 124 Ų | 124 | 144 Ų | 144 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | trans | -74 | 96.8 | 154.7 | -177.6 | 0 | 0 | 0 | 0 | 107.5 | K31 | S29-K31 PolarHBondContact O-N 3.01Š| ||
| 30 | S | 35.2 | Very low | 35.6 | Very low | 107 Ų | 107 | 146.2 Ų | 146.2 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | -66.5 | 114 | -178.6 | -70.7 | 0 | 0 | 0 | 0 | 111.7 | P28 | P28-S30 PolarHBondContact O-N 3.23Š| ||
| 31 | K | 35.9 | Very low | 35.6 | Very low | 192 Ų | 192 | 146.9 Ų | 146.9 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | -67.4 | 133.9 | 147.9 | -74.9 | -178 | 174.1 | 176.4 | 0 | 108.5 | S29 | S29-K31 PolarHBondContact O-N 3.01Š| ||
| 32 | S | 45.6 | Very low | 36.1 | Very low | 104 Ų | 104 | 142.3 Ų | 142.3 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | 26.4 | 112.6 | 147.2 | 55.2 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 33 | D | 29.3 | Very low | 36.4 | Very low | 156 Ų | 156 | 142.2 Ų | 142.2 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | trans | -146.5 | 117.3 | 142.6 | -96 | -34.8 | 0 | 0 | 0 | 107.9 | ||||
| 34 | S | 37.6 | Very low | 36.6 | Very low | 100 Ų | 100 | 140.4 Ų | 140.4 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | 64.6 | 78.7 | 103.7 | -176.1 | 0 | 0 | 0 | 0 | 111.7 | R36 | S34-R36 PolarHBondContact O-N 3.23Š| |||
| 35 | C | 31.4 | Very low | 37.2 | Very low | 129 Ų | 129 | 136.6 Ų | 136.6 | 87% | 0.872 | 78% | 0.775 | S | S | * | * | trans | -67.8 | 104.4 | 162.1 | -67.5 | 0 | 0 | 0 | 0 | 108 | T37 | C35-T37 PolarHBondContact O-N 2.98Š| ||
| 36 | R | 32.8 | Very low | 37.8 | Very low | 220 Ų | 220 | 137.4 Ų | 137.4 | 83% | 0.83 | 78% | 0.776 | S | S | * | * | trans | -42 | 126.6 | 161.4 | -72.8 | 176.2 | 162.3 | 173.6 | -5.7 | 109.6 | S34 V38 | S34-R36 PolarHBondContact O-N 3.23Å; R36-V38 PolarHBondContact O-N 3.35Å | ||
| 37 | T | 37.8 | Very low | 38.7 | Very low | 131 Ų | 131 | 134.1 Ų | 134.1 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | -56.6 | 101.2 | 157.5 | 33.5 | 0 | 0 | 0 | 0 | 107.9 | C35 | C35-T37 PolarHBondContact O-N 2.98Š| ||
| 38 | V | 37.8 | Very low | 39.4 | Very low | 116 Ų | 116 | 134.8 Ų | 134.8 | 70% | 0.703 | 77% | 0.773 | S | S | * | * | trans | -81.5 | 107.6 | 158.1 | -86.3 | 0 | 0 | 0 | 0 | 106.3 | R36 L40 | R36-V38 PolarHBondContact O-N 3.35Å; V38-L40 HydrophobicContact CB-CD1 3.96Å; V38-L40 HydrophobicContact CG2-CD1 4.18Å; V38-L40 PolarHBondContact O-N 3.06Å | ||
| 39 | D | 42.7 | Very low | 40.4 | Very low | 160 Ų | 160 | 133.4 Ų | 133.4 | 86% | 0.856 | 76% | 0.759 | S | S | * | * | trans | -60 | 105.8 | 165.2 | -73.1 | -50.5 | 0 | 0 | 0 | 108 | ||||
| 40 | L | 33 | Very low | 41 | Very low | 140 Ų | 140 | 135.4 Ų | 135.4 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | trans | -113.6 | 143.8 | 163.2 | -93 | 96.4 | 0 | 0 | 0 | 109.4 | V38 A42 | V38-L40 HydrophobicContact CB-CD1 3.96Å; V38-L40 HydrophobicContact CG2-CD1 4.18Å; V38-L40 PolarHBondContact O-N 3.06Å; L40-A42 PolarHBondContact O-N 3.38Å | ||
| 41 | P | 34.6 | Very low | 41.7 | Very low | 123 Ų | 123 | 137.1 Ų | 137.1 | 80% | 0.799 | 74% | 0.743 | S | S | * | * | trans | -67.4 | 137.2 | -163.8 | 27.3 | -33.5 | 0 | 0 | 0 | 111.4 | N43 | P41-N43 PolarHBondContact O-N 3.3Š| ||
| 42 | A | 46 | Very low | 42.8 | Very low | 93 Ų | 93 | 132.4 Ų | 132.4 | 77% | 0.769 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -55.5 | 108 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | L40 | L40-A42 PolarHBondContact O-N 3.38Š|
| 43 | N | 43 | Very low | 43.3 | Very low | 164 Ų | 164 | 133 Ų | 133 | 88% | 0.877 | 73% | 0.725 | S | S | * | * | trans | 176.5 | 86 | 143.1 | -94.2 | -28.6 | 0 | 0 | 0 | 110.2 | P41 | P41-N43 PolarHBondContact O-N 3.3Š| ||
| 44 | S | 36.9 | Very low | 44.7 | Very low | 107 Ų | 107 | 129.9 Ų | 129.9 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | trans | -154.6 | 131.6 | 149.3 | 86.8 | 0 | 0 | 0 | 0 | 110.1 | E46 | S44-E46 PolarHBondContact O-N 2.77Š| ||
| 45 | S | 52.8 | Low | 45.4 | Very low | 89 Ų | 89 | 135.6 Ų | 135.6 | 62% | 0.622 | 73% | 0.728 | S | S | * | * | trans | -57.2 | 97 | 178.6 | -175.8 | 0 | 0 | 0 | 0 | 111.5 | V47 | S45-V47 PolarHBondContact O-N 3.06Å; S45-V47 VanDerWaalsContact O-N 3.16Å | ||
| 46 | E | 48.7 | Very low | 46.7 | Very low | 178 Ų | 178 | 132.3 Ų | 132.3 | 83% | 0.832 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -71.5 | 3.3 | 172.1 | -76.9 | -169.5 | 147.9 | 0 | 0 | 113.5 | S44 Y48 | S44-E46 PolarHBondContact O-N 2.77Å; E46-Y48 PolarHBondContact O-N 3.5Å |
| 47 | V | 50.9 | Low | 47.7 | Very low | 107 Ų | 107 | 125.2 Ų | 125.2 | 65% | 0.648 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -74.9 | -13.4 | -173.7 | -177.9 | 0 | 0 | 0 | 0 | 112.7 | S45 | S45-V47 PolarHBondContact O-N 3.06Å; S45-V47 VanDerWaalsContact O-N 3.16Å |
| 48 | Y | 45 | Very low | 48.5 | Very low | 180 Ų | 180 | 122.8 Ų | 122.8 | 71% | 0.706 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -129.8 | 35.4 | -172.5 | -61.7 | -76.2 | 0 | 0 | 0 | 115 | E46 Y50 | E46-Y48 PolarHBondContact O-N 3.5Å; Y48-Y50 PolarHBondContact O-N 2.8Å; Y48-Y50 VanDerWaalsContact O-N 3.09Å |
| 49 | N | 55 | Low | 49.2 | Very low | 82 Ų | 82 | 122.8 Ų | 122.8 | 44% | 0.439 | 70% | 0.704 | S | S | . | * | trans | -78.1 | 97.5 | 169.8 | -159.8 | -23.8 | 0 | 0 | 0 | 110.2 | K51 T52 L53 | N49-K51 PolarHBondContact O-N 2.88Å; N49-K51 VanDerWaalsContact O-N 3.11Å; N49-K51 PolarHBondContact OD1-N 2.98Å; N49-T52 PolarHBondContact O-N 3.12Å; N49-L53 PolarHBondContact O-N 3.47Å | ||
| 50 | Y | 49.9 | Very low | 49.6 | Very low | 165 Ų | 165 | 122.7 Ų | 122.7 | 65% | 0.647 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -57 | -24.9 | -179.4 | 70.3 | -88.2 | 0 | 0 | 0 | 113.3 | Y48 T52 A54 | Y48-Y50 PolarHBondContact O-N 2.8Å; Y48-Y50 VanDerWaalsContact O-N 3.09Å; Y50-T52 VanDerWaalsContact C-N 3.34Å; Y50-A54 PolarHBondContact O-N 3.24Å |
| 51 | K | 48.8 | Very low | 50.3 | Low | 144 Ų | 144 | 121.7 Ų | 121.7 | 63% | 0.626 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -69.6 | -31.4 | 175.9 | -68 | -178.5 | 174.9 | 176.5 | 0 | 112.3 | N49 | N49-K51 PolarHBondContact O-N 2.88Å; N49-K51 VanDerWaalsContact O-N 3.11Å; N49-K51 PolarHBondContact OD1-N 2.98Å |
| 52 | T | 59.2 | Low | 51.3 | Low | 93 Ų | 93 | 127.2 Ų | 127.2 | 57% | 0.571 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -78.9 | -37.1 | -179.4 | -37.7 | 0 | 0 | 0 | 0 | 111.6 | N49 Y50 Y55 S56 | N49-T52 PolarHBondContact O-N 3.12Å; Y50-T52 VanDerWaalsContact C-N 3.34Å; T52-Y55 PolarHBondContact O-N 2.93Å; T52-S56 PolarHBondContact O-N 3.08Å; T52-S56 PolarHBondContact O-OG 2.92Å |
| 53 | L | 57.2 | Low | 51.2 | Low | 116 Ų | 116 | 129.8 Ų | 129.8 | 61% | 0.607 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -67.6 | -34.4 | 178.6 | -72.4 | 169.5 | 0 | 0 | 0 | 113.1 | N49 Y55 S56 | N49-L53 PolarHBondContact O-N 3.47Å; L53-Y55 VanDerWaalsContact C-N 3.25Å; L53-Y55 PolarHBondContact O-N 3.42Å; L53-S56 PolarHBondContact O-OG 3.28Å; L53-S56 VanDerWaalsContact O-OG 3.08Å |
| 54 | A | 57.1 | Low | 51.3 | Low | 90 Ų | 90 | 131.6 Ų | 131.6 | 74% | 0.744 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -68.4 | -24.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y50 | Y50-A54 PolarHBondContact O-N 3.24Å |
| 55 | Y | 52.8 | Low | 51.9 | Low | 220 Ų | 220 | 135.9 Ų | 135.9 | 86% | 0.863 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -92.1 | -21.6 | -178.4 | -151.1 | -96.7 | 0 | 0 | 0 | 113.1 | T52 L53 G57 | T52-Y55 PolarHBondContact O-N 2.93Å; L53-Y55 VanDerWaalsContact C-N 3.25Å; L53-Y55 PolarHBondContact O-N 3.42Å; Y55-G57 PolarHBondContact O-N 3.46Å |
| 56 | S | 57.9 | Low | 51.8 | Low | 60 Ų | 60 | 141.8 Ų | 141.8 | 42% | 0.42 | 73% | 0.73 | S | S | . | * | S | Bend | trans | -84.8 | 88.5 | 171.7 | 55.1 | 0 | 0 | 0 | 0 | 109.8 | T52 L53 G58 | T52-S56 PolarHBondContact O-N 3.08Å; T52-S56 PolarHBondContact O-OG 2.92Å; L53-S56 PolarHBondContact O-OG 3.28Å; L53-S56 VanDerWaalsContact O-OG 3.08Å; S56-G58 VanDerWaalsContact C-N 3.27Å; S56-G58 PolarHBondContact O-N 3.02Å |
| 57 | G | 54.9 | Low | 51.5 | Low | 71 Ų | 71 | 136.8 Ų | 136.8 | 73% | 0.732 | 73% | 0.726 | S | S | * | * | trans | -55 | 78.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y55 T59 | Y55-G57 PolarHBondContact O-N 3.46Å; G57-T59 VanDerWaalsContact C-N 3.32Å; G57-T59 PolarHBondContact O-N 3.16Å; G57-T59 VanDerWaalsContact O-N 3.15Å | ||
| 58 | G | 53.8 | Low | 51.4 | Low | 81 Ų | 81 | 135.8 Ų | 135.8 | 84% | 0.835 | 74% | 0.737 | S | S | * | * | S | Bend | trans | 68.3 | 8.2 | 162.9 | 0 | 0 | 0 | 0 | 0 | 118 | S56 | S56-G58 VanDerWaalsContact C-N 3.27Å; S56-G58 PolarHBondContact O-N 3.02Å |
| 59 | T | 52.5 | Low | 51.2 | Low | 115 Ų | 115 | 130.2 Ų | 130.2 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | trans | -112.2 | 118.6 | 177.4 | 55.2 | 0 | 0 | 0 | 0 | 111.3 | G57 | G57-T59 VanDerWaalsContact C-N 3.32Å; G57-T59 PolarHBondContact O-N 3.16Å; G57-T59 VanDerWaalsContact O-N 3.15Å | ||
| 60 | L | 51.7 | Low | 50.9 | Low | 158 Ų | 158 | 131.8 Ų | 131.8 | 83% | 0.827 | 75% | 0.752 | S | S | * | * | trans | -53.7 | 140.6 | 173.5 | -72.1 | 165.1 | 0 | 0 | 0 | 110 | R62 | L60-R62 PolarHBondContact O-N 3.37Š| ||
| 61 | P | 48.7 | Very low | 51 | Low | 119 Ų | 119 | 131.8 Ų | 131.8 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | trans | -64 | 106 | -174.8 | 24.4 | -32.3 | 0 | 0 | 0 | 110.9 | N63 | P61-N63 VanDerWaalsContact C-N 3.34Å; P61-N63 PolarHBondContact O-N 3.39Å; P61-N63 VanDerWaalsContact O-N 3.12Å | ||
| 62 | R | 54.9 | Low | 50.8 | Low | 240 Ų | 240 | 134 Ų | 134 | 91% | 0.906 | 77% | 0.768 | S | S | * | * | trans | -78.7 | 83.4 | 165.3 | -86.7 | -178.5 | 161.5 | 144.8 | -4.2 | 109 | L60 | L60-R62 PolarHBondContact O-N 3.37Š| ||
| 63 | N | 43 | Very low | 50.1 | Low | 147 Ų | 147 | 140.7 Ų | 140.7 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | trans | -134.9 | 83.9 | 161.9 | -92.7 | -60 | 0 | 0 | 0 | 109.9 | P61 | P61-N63 VanDerWaalsContact C-N 3.34Å; P61-N63 PolarHBondContact O-N 3.39Å; P61-N63 VanDerWaalsContact O-N 3.12Å | ||
| 64 | F | 46.1 | Very low | 49.7 | Very low | 202 Ų | 202 | 143.9 Ų | 143.9 | 89% | 0.886 | 79% | 0.792 | S | S | * | * | trans | -95.3 | 92.1 | 166.1 | -135.6 | -90.6 | 0 | 0 | 0 | 107.7 | K66 | F64-K66 PolarHBondContact O-N 2.97Š| ||
| 65 | K | 49.8 | Very low | 49 | Very low | 196 Ų | 196 | 144.6 Ų | 144.6 | 85% | 0.852 | 79% | 0.789 | S | S | * | * | trans | -75.2 | 114.9 | 167.7 | -90.4 | -175.4 | 174.9 | 179.3 | 0 | 108.3 | G67 | K65-G67 PolarHBondContact O-N 3.45Š| ||
| 66 | K | 49.4 | Very low | 48.8 | Very low | 214 Ų | 214 | 142.3 Ų | 142.3 | 93% | 0.93 | 79% | 0.79 | S | S | * | * | trans | -75.8 | 103 | 172 | -173.4 | 176 | -177.3 | 179.7 | 0 | 108.6 | F64 | F64-K66 PolarHBondContact O-N 2.97Š| ||
| 67 | G | 43.7 | Very low | 48.3 | Very low | 73 Ų | 73 | 145 Ų | 145 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | S | Bend | trans | 162 | 102.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | K65 | K65-G67 PolarHBondContact O-N 3.45Š|
| 68 | G | 48.4 | Very low | 47.9 | Very low | 85 Ų | 85 | 148 Ų | 148 | 88% | 0.876 | 80% | 0.803 | S | S | * | * | S | Bend | trans | 80.7 | 105.3 | 155.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 69 | G | 41.1 | Very low | 47.7 | Very low | 63 Ų | 63 | 149.2 Ų | 149.2 | 65% | 0.649 | 80% | 0.796 | S | S | * | * | trans | 104.8 | 102.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q71 | G69-Q71 PolarHBondContact O-N 3.36Š| ||
| 70 | S | 47.6 | Very low | 47.8 | Very low | 116 Ų | 116 | 149.5 Ų | 149.5 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | -60.6 | 85.2 | 168.7 | -37.3 | 0 | 0 | 0 | 0 | 109.2 | K72 | S70-K72 PolarHBondContact O-N 3.09Š| ||
| 71 | Q | 53 | Low | 47.9 | Very low | 165 Ų | 165 | 149.3 Ų | 149.3 | 77% | 0.771 | 80% | 0.795 | S | S | * | * | trans | -65.6 | 89.8 | 163.4 | -66.3 | -66.3 | -46.9 | 0 | 0 | 105.5 | G69 W73 | G69-Q71 PolarHBondContact O-N 3.36Å; Q71-W73 VanDerWaalsContact C-N 3.31Å; Q71-W73 PolarHBondContact O-N 3.11Å | ||
| 72 | K | 44.5 | Very low | 48.6 | Very low | 190 Ų | 190 | 147.8 Ų | 147.8 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | trans | -55.3 | 101.9 | 168.2 | -77.8 | 179.7 | 175.4 | 179.5 | 0 | 105.7 | S70 K74 | S70-K72 PolarHBondContact O-N 3.09Å; K72-K74 VanDerWaalsContact C-N 3.35Å; K72-K74 PolarHBondContact O-N 3.25Å | ||
| 73 | W | 43.9 | Very low | 49.4 | Very low | 233 Ų | 233 | 144.5 Ų | 144.5 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | trans | -55.5 | 106.4 | 162.2 | -68.6 | 80.2 | 0 | 0 | 0 | 105.6 | Q71 P75 | Q71-W73 VanDerWaalsContact C-N 3.31Å; Q71-W73 PolarHBondContact O-N 3.11Å; W73-P75 WeakPolarHBondContact O-CD 3.36Å | ||
| 74 | K | 48.4 | Very low | 51.5 | Low | 184 Ų | 184 | 145.6 Ų | 145.6 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | trans | -58.7 | 124.3 | 167.3 | -71.2 | -173.9 | 178.9 | -176.4 | 0 | 105.5 | K72 L76 | K72-K74 VanDerWaalsContact C-N 3.35Å; K72-K74 PolarHBondContact O-N 3.25Å; K74-L76 PolarHBondContact O-N 2.67Å | ||
| 75 | P | 43.8 | Very low | 53.7 | Low | 105 Ų | 105 | 140.2 Ų | 140.2 | 68% | 0.682 | 75% | 0.749 | S | S | * | * | trans | -58.5 | 114.9 | 172.9 | -20 | 31.9 | 0 | 0 | 0 | 107.9 | W73 T77 | W73-P75 WeakPolarHBondContact O-CD 3.36Å; P75-T77 WeakPolarHBondContact CB-OG1 3.33Å; P75-T77 PolarHBondContact O-N 3.15Å | ||
| 76 | L | 47.7 | Very low | 55.8 | Low | 171 Ų | 171 | 134.2 Ų | 134.2 | 90% | 0.895 | 73% | 0.729 | S | S | * | * | trans | -75 | 41.9 | 170.4 | -71.4 | 166.6 | 0 | 0 | 0 | 110.3 | K74 | K74-L76 PolarHBondContact O-N 2.67Š| ||
| 77 | T | 48 | Very low | 58 | Low | 118 Ų | 118 | 124.1 Ų | 124.1 | 72% | 0.724 | 69% | 0.685 | S | S | * | * | trans | -95.4 | 2.5 | -176.7 | 40.3 | 0 | 0 | 0 | 0 | 113.6 | P75 | P75-T77 WeakPolarHBondContact CB-OG1 3.33Å; P75-T77 PolarHBondContact O-N 3.15Å | ||
| 78 | L | 46.3 | Very low | 60.5 | Low | 134 Ų | 134 | 125.8 Ų | 125.8 | 70% | 0.702 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -100.1 | 125.4 | 160.4 | -110.3 | 84.5 | 0 | 0 | 0 | 108.6 | ||
| 79 | P | 49.5 | Very low | 62.8 | Low | 105 Ų | 105 | 122 Ų | 122 | 68% | 0.682 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 139.2 | 157.2 | 23.6 | -29.4 | 0 | 0 | 0 | 107.3 | E81 | P79-E81 PolarHBondContact O-N 2.93Š|
| 80 | P | 55.1 | Low | 65.3 | Low | 122 Ų | 122 | 126.3 Ų | 126.3 | 79% | 0.792 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 118.5 | 177.2 | 20.2 | -31.6 | 0 | 0 | 0 | 107.7 | ||
| 81 | E | 52.6 | Low | 67.6 | Low | 154 Ų | 154 | 122.8 Ų | 122.8 | 72% | 0.72 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 132.1 | 177.8 | -171.1 | 175.4 | -178.3 | 0 | 0 | 107.3 | P79 Q83 | P79-E81 PolarHBondContact O-N 2.93Å; E81-Q83 VanDerWaalsContact C-N 3.35Å; E81-Q83 PolarHBondContact O-N 2.94Å |
| 82 | P | 63.8 | Low | 69.5 | Low | 86 Ų | 86 | 120 Ų | 120 | 56% | 0.558 | 60% | 0.6 | S | S | * | * | trans | -57 | 101.3 | -177.9 | 19.2 | -29.3 | 0 | 0 | 0 | 108.6 | R84 V172 | P82-R84 PolarHBondContact O-N 3.33Å; P82-V172 HydrophobicContact CB-CG1 3.4Å | ||
| 83 | Q | 72.2 | Confident | 71.7 | Confident | 172 Ų | 172 | 118.9 Ų | 118.9 | 80% | 0.804 | 60% | 0.598 | S | S | * | * | trans | -68.8 | 100.7 | -177.6 | -72.7 | -176.4 | -17.3 | 0 | 0 | 107.3 | E81 K85 | E81-Q83 VanDerWaalsContact C-N 3.35Å; E81-Q83 PolarHBondContact O-N 2.94Å; Q83-K85 PolarHBondContact O-N 2.86Å | ||
| 84 | R | 86.7 | Confident | 73.8 | Confident | 170 Ų | 170 | 117.3 Ų | 117.3 | 64% | 0.642 | 60% | 0.601 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -61.7 | 120.5 | 170.9 | -73.6 | -177.4 | -179.6 | -140.6 | 1.5 | 107.9 | P82 T171 V172 | P82-R84 PolarHBondContact O-N 3.33Å; R84-T171 CarbonylContact C-O 3.54Å; R84-T171 WeakPolarHBondContact CA-O 3.46Å; R84-V172 HydrophobicContact CG-CG2 3.62Å |
| 85 | K | 91.4 | Very high | 75.9 | Confident | 88 Ų | 88 | 112 Ų | 112 | 38% | 0.383 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.3 | 129.1 | 177 | -177.2 | -173.7 | 175.4 | -168.3 | 0 | 108.5 | Q83 V87 G133 E170 T171 | Q83-K85 PolarHBondContact O-N 2.86Å; K85-V87 HydrophobicContact CD-CG2 3.99Å; K85-V87 HydrophobicContact CG-CG2 4.14Å; K85-G133 PolarHBondContact NZ-O 3.47Å; K85-E170 CarbonylContact O-C 3.55Å; K85-E170 WeakPolarHBondContact O-CA 3.4Å; K85-T171 PolarHBondContact N-O 2.91Å; K85-T171 PolarHBondContact O-N 3.21Å |
| 86 | V | 94.6 | Very high | 78.2 | Confident | 71 Ų | 71 | 110.5 Ų | 110.5 | 43% | 0.43 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88 | 128.1 | 169.4 | -170 | 0 | 0 | 0 | 0 | 108.4 | R168 L169 E170 | V86-R168 HydrophobicContact CG1-CG 3.89Å; V86-L169 CarbonylContact C-O 3.56Å; V86-L169 WeakPolarHBondContact CA-O 3.19Å; V86-E170 HydrophobicContact CG2-CG 4.2Å |
| 87 | V | 95.4 | Very high | 80.5 | Confident | 1 Ų | 1 | 103.1 Ų | 103.1 | 1% | 0.006 | 54% | 0.536 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 116.5 | 176.9 | -177.4 | 0 | 0 | 0 | 0 | 107.7 | K85 L89 A132 L134 L169 | K85-V87 HydrophobicContact CD-CG2 3.99Å; K85-V87 HydrophobicContact CG-CG2 4.14Å; V87-L89 HydrophobicContact CB-CD1 4.43Å; V87-L89 HydrophobicContact CG1-CD1 3.81Å; V87-L89 HydrophobicContact CG1-CG 4.25Å; V87-A132 HydrophobicContact CG1-CB 3.67Å; V87-L134 HydrophobicContact CG1-CB 4.35Å; V87-L134 HydrophobicContact CG1-CD1 4.43Å; V87-L134 HydrophobicContact CG2-CD1 4.4Å; V87-L169 HydrophobicContact CB-CB 4.5Å; V87-L169 PolarHBondContact N-O 2.97Å; V87-L169 PolarHBondContact O-N 3.5Å |
| 88 | N | 96.4 | Very high | 82.8 | Confident | 109 Ų | 109 | 98.1 Ų | 98.1 | 58% | 0.583 | 51% | 0.507 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 117.2 | 175 | -61.3 | -30 | 0 | 0 | 0 | 108.2 | A132 R168 | N88-A132 WeakPolarHBondContact O-CB 3.33Å; N88-R168 WeakPolarHBondContact OD1-CG 3.45Å |
| 89 | L | 96 | Very high | 85.2 | Confident | 4 Ų | 4 | 93.2 Ų | 93.2 | 2% | 0.021 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 133.4 | 175.6 | -56.7 | 88.3 | 0 | 0 | 0 | 108.9 | V87 F97 F99 A129 A132 L134 T166 L167 L169 | V87-L89 HydrophobicContact CB-CD1 4.43Å; V87-L89 HydrophobicContact CG1-CD1 3.81Å; V87-L89 HydrophobicContact CG1-CG 4.25Å; L89-F97 HydrophobicContact CB-CD1 3.62Å; L89-F97 HydrophobicContact CB-CE1 3.86Å; L89-F97 HydrophobicContact CD2-CB 4.09Å; L89-F97 HydrophobicContact CD2-CD1 4.1Å; L89-F97 HydrophobicContact CD2-CG 4.35Å; L89-F99 HydrophobicContact CD2-CD1 4.03Å; L89-F99 HydrophobicContact CD2-CE1 3.88Å; L89-A129 HydrophobicContact CD2-CB 3.63Å; L89-A132 HydrophobicContact CG-CB 4.02Å; L89-L134 HydrophobicContact CD2-CD2 4.49Å; L89-T166 WeakPolarHBondContact O-CA 3.33Å; L89-L167 HydrophobicContact CB-CB 4.28Å; L89-L167 HydrophobicContact CD1-CD2 4.19Å; L89-L167 HydrophobicContact CD1-CG 4.36Å; L89-L167 PolarHBondContact N-O 3.41Å; L89-L167 PolarHBondContact O-N 3.06Å; L89-L169 HydrophobicContact CD1-CB 4.41Å; L89-L169 HydrophobicContact CD1-CD1 3.69Å; L89-L169 HydrophobicContact CD1-CG 3.8Å |
| 90 | E | 95.3 | Very high | 87.5 | Confident | 154 Ų | 154 | 91.3 Ų | 91.3 | 72% | 0.72 | 46% | 0.462 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 133.1 | 174.1 | -174.3 | 174.1 | -172.7 | 0 | 0 | 107.8 | P128 N165 T166 | E90-P128 WeakPolarHBondContact O-CB 3.42Å; E90-N165 WeakPolarHBondContact CA-O 3.33Å; E90-T166 HydrophobicContact CG-CG2 4.49Å |
| 91 | K | 94.6 | Very high | 89.4 | Confident | 42 Ų | 42 | 86.6 Ų | 86.6 | 18% | 0.183 | 43% | 0.43 | C | S | . | . | trans | -133.4 | 156.9 | -178.6 | 69 | 170.7 | -162.9 | 139.4 | 0 | 111.2 | E95 F97 P128 G164 N165 | K91-E95 WeakPolarHBondContact CA-OE1 3.4Å; K91-E95 HydrophobicContact CB-CG 3.85Å; K91-E95 WeakPolarHBondContact CD-O 3.4Å; K91-E95 PolarHBondContact NZ-O 2.96Å; K91-F97 HydrophobicContact CB-CD1 3.93Å; K91-F97 HydrophobicContact CB-CE1 3.95Å; K91-F97 HydrophobicContact CD-CD1 3.78Å; K91-F97 HydrophobicContact CD-CD2 3.88Å; K91-F97 HydrophobicContact CD-CE1 3.67Å; K91-F97 HydrophobicContact CD-CE2 3.76Å; K91-F97 HydrophobicContact CD-CG 3.88Å; K91-F97 HydrophobicContact CD-CZ 3.65Å; K91-F97 HydrophobicContact CG-CD1 3.89Å; K91-F97 HydrophobicContact CG-CE1 3.53Å; K91-F97 HydrophobicContact CG-CE2 4.45Å; K91-F97 HydrophobicContact CG-CZ 3.83Å; K91-P128 HydrophobicContact CB-CB 4.43Å; K91-P128 HydrophobicContact CB-CG 4.11Å; K91-G164 WeakPolarHBondContact CE-O 3.33Å; K91-N165 HydrophobicContact CG-CB 4.36Å; K91-N165 PolarHBondContact N-O 2.85Å; K91-N165 WeakPolarHBondContact O-CB 3.25Å | ||
| 92 | N | 93.7 | Very high | 91.3 | Very high | 107 Ų | 107 | 82.1 Ų | 82.1 | 57% | 0.572 | 41% | 0.409 | S | S | * | . | trans | -70.7 | 159.9 | 167.1 | -58.5 | -50 | 0 | 0 | 0 | 111.4 | E94 E95 | N92-E94 PolarHBondContact O-N 3.04Å; N92-E95 HydrophobicContact CB-CG 3.95Å; N92-E95 PolarHBondContact N-OE1 2.74Å; N92-E95 PolarHBondContact ND2-OE1 2.93Å; N92-E95 PolarHBondContact ND2-OE2 3.19Å; N92-E95 PolarHBondContact O-N 3.22Å | ||
| 93 | E | 89.3 | Confident | 92.6 | Very high | 167 Ų | 167 | 79.5 Ų | 79.5 | 78% | 0.78 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -31.3 | -179 | -70.9 | 178.8 | -173.6 | 0 | 0 | 113.1 | N165 | E93-N165 WeakPolarHBondContact CG-ND2 3.5Š|
| 94 | E | 88.5 | Confident | 93.3 | Very high | 200 Ų | 200 | 76.3 Ų | 76.3 | 94% | 0.935 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -13.2 | -175.1 | -61 | 178.3 | -176.3 | 0 | 0 | 113.7 | N92 | N92-E94 PolarHBondContact O-N 3.04Š|
| 95 | E | 92.3 | Very high | 93.3 | Very high | 73 Ų | 73 | 69.8 Ų | 69.8 | 34% | 0.341 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -106.8 | 163.1 | -174.7 | 78.9 | -168.4 | 175.9 | 0 | 0 | 112.3 | K91 N92 P128 | K91-E95 WeakPolarHBondContact CA-OE1 3.4Å; K91-E95 HydrophobicContact CB-CG 3.85Å; K91-E95 WeakPolarHBondContact CD-O 3.4Å; K91-E95 PolarHBondContact NZ-O 2.96Å; N92-E95 HydrophobicContact CB-CG 3.95Å; N92-E95 PolarHBondContact N-OE1 2.74Å; N92-E95 PolarHBondContact ND2-OE1 2.93Å; N92-E95 PolarHBondContact ND2-OE2 3.19Å; N92-E95 PolarHBondContact O-N 3.22Å; E95-P128 HydrophobicContact CG-CG 4.36Å; E95-P128 WeakPolarHBondContact OE1-CG 3.19Å |
| 96 | A | 93.6 | Very high | 92.6 | Very high | 72 Ų | 72 | 67.5 Ų | 67.5 | 60% | 0.595 | 35% | 0.35 | S | S | * | . | trans | -96.5 | 157.6 | 170 | 0 | 0 | 0 | 0 | 0 | 109.8 | G98 | A96-G98 PolarHBondContact O-N 3.26Å; A96-G98 VanDerWaalsContact O-N 3.13Å | ||
| 97 | F | 96 | Very high | 91.5 | Very high | 17 Ų | 17 | 71.1 Ų | 71.1 | 8% | 0.075 | 36% | 0.363 | C | S | . | . | trans | -59.8 | -24.7 | 173.2 | -66.2 | -69.4 | 0 | 0 | 0 | 112.8 | L89 K91 F99 A129 G164 L167 | L89-F97 HydrophobicContact CB-CD1 3.62Å; L89-F97 HydrophobicContact CB-CE1 3.86Å; L89-F97 HydrophobicContact CD2-CB 4.09Å; L89-F97 HydrophobicContact CD2-CD1 4.1Å; L89-F97 HydrophobicContact CD2-CG 4.35Å; K91-F97 HydrophobicContact CB-CD1 3.93Å; K91-F97 HydrophobicContact CB-CE1 3.95Å; K91-F97 HydrophobicContact CD-CD1 3.78Å; K91-F97 HydrophobicContact CD-CD2 3.88Å; K91-F97 HydrophobicContact CD-CE1 3.67Å; K91-F97 HydrophobicContact CD-CE2 3.76Å; K91-F97 HydrophobicContact CD-CG 3.88Å; K91-F97 HydrophobicContact CD-CZ 3.65Å; K91-F97 HydrophobicContact CG-CD1 3.89Å; K91-F97 HydrophobicContact CG-CE1 3.53Å; K91-F97 HydrophobicContact CG-CE2 4.45Å; K91-F97 HydrophobicContact CG-CZ 3.83Å; F97-F99 HydrophobicContact CB-CD1 3.6Å; F97-F99 HydrophobicContact CB-CE1 3.45Å; F97-F99 VanDerWaalsContact CB-CE1 3.45Å; F97-F99 HydrophobicContact CD2-CE1 4.33Å; F97-F99 HydrophobicContact CG-CE1 4.08Å; F97-A129 WeakPolarHBondContact O-CB 3.39Å; F97-A129 PolarHBondContact O-N 3.37Å; F97-G164 WeakPolarHBondContact CZ-O 3.39Å; F97-L167 HydrophobicContact CD2-CD2 4.1Å; F97-L167 HydrophobicContact CE1-CB 3.8Å; F97-L167 HydrophobicContact CE2-CB 4.09Å; F97-L167 HydrophobicContact CE2-CD2 4.05Å; F97-L167 HydrophobicContact CG-CD2 4.4Å; F97-L167 HydrophobicContact CZ-CB 3.55Å; F97-L167 HydrophobicContact CZ-CD2 4.29Å | ||
| 98 | G | 95.9 | Very high | 90 | Very high | 13 Ų | 13 | 76.3 Ų | 76.3 | 13% | 0.134 | 39% | 0.386 | C | S | . | . | trans | 78.5 | 39.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | A96 H124 S127 | A96-G98 PolarHBondContact O-N 3.26Å; A96-G98 VanDerWaalsContact O-N 3.13Å; G98-H124 PolarHBondContact O-CD2 2.86Å; G98-H124 PolarHBondContact O-N 2.67Å; G98-S127 PolarHBondContact O-OG 3.31Å | ||
| 99 | F | 97.1 | Very high | 88.2 | Confident | 30 Ų | 30 | 80.1 Ų | 80.1 | 13% | 0.132 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 161 | 169.7 | 70.1 | -83.2 | 0 | 0 | 0 | 110.9 | L89 F97 I101 V120 R122 V123 A129 L134 I160 L167 L169 | L89-F99 HydrophobicContact CD2-CD1 4.03Å; L89-F99 HydrophobicContact CD2-CE1 3.88Å; F97-F99 HydrophobicContact CB-CD1 3.6Å; F97-F99 HydrophobicContact CB-CE1 3.45Å; F97-F99 VanDerWaalsContact CB-CE1 3.45Å; F97-F99 HydrophobicContact CD2-CE1 4.33Å; F97-F99 HydrophobicContact CG-CE1 4.08Å; F99-I101 HydrophobicContact CD2-CG2 3.84Å; F99-I101 HydrophobicContact CE2-CG2 3.64Å; F99-V120 HydrophobicContact CB-CG1 4.33Å; F99-V120 HydrophobicContact CD2-CG2 4.5Å; F99-R122 CarbonylContact C-O 3.57Å; F99-R122 WeakPolarHBondContact CA-O 3.16Å; F99-V123 HydrophobicContact CB-CG2 4.32Å; F99-A129 HydrophobicContact CB-CB 3.92Å; F99-A129 HydrophobicContact CD1-CB 3.83Å; F99-A129 HydrophobicContact CG-CB 4.27Å; F99-L134 HydrophobicContact CB-CD2 3.83Å; F99-L134 HydrophobicContact CD1-CD2 4.01Å; F99-L134 HydrophobicContact CD2-CD2 3.92Å; F99-L134 HydrophobicContact CE2-CD2 4.49Å; F99-L134 HydrophobicContact CG-CD2 3.64Å; F99-I160 HydrophobicContact CE2-CD1 4.35Å; F99-I160 HydrophobicContact CZ-CD1 4.25Å; F99-I160 HydrophobicContact CZ-CG2 4.31Å; F99-L167 HydrophobicContact CE1-CD2 4Å; F99-L167 HydrophobicContact CZ-CD2 3.9Å; F99-L169 HydrophobicContact CZ-CD1 4.19Å |
| 100 | E | 96.6 | Very high | 86.3 | Confident | 66 Ų | 66 | 86.5 Ų | 86.5 | 31% | 0.308 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 145.7 | 176.7 | -60.2 | -177.5 | -123.3 | 0 | 0 | 110.5 | V120 C121 R122 H124 | E100-V120 CarbonylContact O-C 3.59Å; E100-V120 WeakPolarHBondContact O-CA 3.47Å; E100-C121 PolarHBondContact O-N 2.85Å; E100-C121 PolarHBondContact O-SG 3.49Å; E100-C121 VanDerWaalsContact O-SG 3.41Å; E100-R122 HydrophobicContact CB-CB 4.15Å; E100-R122 HydrophobicContact CG-CB 4.38Å; E100-R122 PolarHBondContact N-O 3.13Å; E100-R122 PolarHBondContact O-N 3.29Å; E100-R122 IonicContact OE1-CZ 3.9Å; E100-R122 IonicContact OE1-NE 2.63Å; E100-R122 PolarHBondContact OE1-NE 2.81Å; E100-R122 IonicContact OE1-NH2 3.3Å; E100-R122 IonicContact OE2-CZ 3.37Å; E100-R122 VanDerWaalsContact OE2-CZ 3.3Å; E100-R122 IonicContact OE2-NE 3.58Å; E100-R122 PolarHBondContact OE2-NE 3.32Å; E100-R122 IonicContact OE2-NH2 3.92Å; E100-R122 PolarHBondContact OE2-NH2 3.25Å; E100-H124 IonicContact OE1-NE2 3.58Å |
| 101 | I | 95.1 | Very high | 84.5 | Confident | 23 Ų | 23 | 84.9 Ų | 84.9 | 12% | 0.118 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 151 | -179.3 | 55.1 | 161.7 | 0 | 0 | 0 | 111.4 | F99 T118 F119 I140 H153 I156 V157 I160 | F99-I101 HydrophobicContact CD2-CG2 3.84Å; F99-I101 HydrophobicContact CE2-CG2 3.64Å; I101-T118 HydrophobicContact CB-CG2 3.86Å; I101-T118 HydrophobicContact CD1-CG2 3.82Å; I101-T118 HydrophobicContact CG1-CG2 4.39Å; I101-T118 HydrophobicContact CG2-CG2 4.34Å; I101-F119 CarbonylContact C-O 3.55Å; I101-F119 VanDerWaalsContact CA-O 3.22Å; I101-F119 WeakPolarHBondContact CA-O 3.44Å; I101-I140 HydrophobicContact CG2-CD1 3.58Å; I101-H153 PolarHBondContact O-CE1 2.86Å; I101-I156 HydrophobicContact CD1-CG2 3.91Å; I101-V157 HydrophobicContact CD1-CG2 3.86Å; I101-V157 HydrophobicContact CG1-CG2 4.43Å; I101-I160 HydrophobicContact CD1-CD1 4.04Å |
| 102 | Q | 92.7 | Very high | 82.9 | Confident | 60 Ų | 60 | 90.8 Ų | 90.8 | 28% | 0.28 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 149 | 168.6 | -81.7 | 175.8 | 34.7 | 0 | 0 | 109.3 | Y104 T118 F119 C121 | Q102-Y104 PolarHBondContact OE1-OH 2.82Å; Q102-T118 CarbonylContact O-C 3.58Å; Q102-T118 VanDerWaalsContact O-CA 3.29Å; Q102-T118 WeakPolarHBondContact O-CA 3.05Å; Q102-F119 HydrophobicContact CB-CD1 4.37Å; Q102-F119 HydrophobicContact CB-CE1 3.49Å; Q102-F119 VanDerWaalsContact CB-CE1 3.49Å; Q102-F119 HydrophobicContact CB-CE2 4.26Å; Q102-F119 HydrophobicContact CB-CZ 3.43Å; Q102-F119 VanDerWaalsContact CB-CZ 3.43Å; Q102-F119 HydrophobicContact CG-CZ 4.42Å; Q102-F119 PolarHBondContact N-O 2.62Å; Q102-F119 WeakPolarHBondContact O-CD1 3.25Å; Q102-F119 WeakPolarHBondContact O-CE1 3.3Å; Q102-F119 PolarHBondContact O-N 3.35Å; Q102-C121 HydrophobicContact CB-CB 4.27Å; Q102-C121 HydrophobicContact CG-CB 4.03Å |
| 103 | T | 91.5 | Very high | 81.7 | Confident | 31 Ų | 31 | 88.2 Ų | 88.2 | 19% | 0.19 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 126.2 | -178.6 | -52 | 0 | 0 | 0 | 0 | 108.6 | M116 C117 T118 H153 | T103-M116 HydrophobicContact CG2-CB 4.13Å; T103-C117 CarbonylContact C-O 3.53Å; T103-C117 WeakPolarHBondContact CA-O 3.14Å; T103-T118 WeakPolarHBondContact CB-OG1 3.39Å; T103-T118 VanDerWaalsContact CG2-OG1 3.28Å; T103-T118 WeakPolarHBondContact CG2-OG1 3.32Å; T103-T118 PolarHBondContact OG1-OG1 3.3Å; T103-H153 WeakPolarHBondContact OG1-CB 3.5Å; T103-H153 PolarHBondContact OG1-ND1 3.46Å |
| 104 | Y | 86.4 | Confident | 81.2 | Confident | 105 Ų | 105 | 83.7 Ų | 83.7 | 41% | 0.412 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 144.8 | 176.9 | -66.4 | -52.5 | 0 | 0 | 0 | 110.8 | Q102 L106 M116 C117 F119 I177 | Q102-Y104 PolarHBondContact OE1-OH 2.82Å; Y104-L106 PolarHBondContact O-N 2.77Å; Y104-M116 WeakPolarHBondContact O-CA 3.4Å; Y104-C117 PolarHBondContact N-O 2.74Å; Y104-C117 PolarHBondContact O-N 2.78Å; Y104-F119 HydrophobicContact CD2-CD1 4.05Å; Y104-F119 AromaticContact CD2-CE1 3.16Å; Y104-F119 HydrophobicContact CD2-CE1 3.16Å; Y104-F119 AromaticContact CD2-CZ 3.78Å; Y104-F119 HydrophobicContact CD2-CZ 3.78Å; Y104-F119 HydrophobicContact CE2-CD1 4.3Å; Y104-F119 AromaticContact CE2-CE1 3.1Å; Y104-F119 HydrophobicContact CE2-CE1 3.1Å; Y104-F119 HydrophobicContact CE2-CE2 4.43Å; Y104-F119 AromaticContact CE2-CZ 3.17Å; Y104-F119 HydrophobicContact CE2-CZ 3.17Å; Y104-F119 HydrophobicContact CG-CE1 4.17Å; Y104-F119 AromaticContact CZ-CZ 3.95Å; Y104-I177 HydrophobicContact CD2-CG2 4.11Å; Y104-I177 HydrophobicContact CE2-CG2 4.07Å |
| 105 | G | 86.8 | Confident | 80.9 | Confident | 33 Ų | 33 | 77.4 Ų | 77.4 | 34% | 0.34 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 103.5 | 166 | 0 | 0 | 0 | 0 | 0 | 110.1 | E115 | G105-E115 CarbonylContact C-O 3.53Å; G105-E115 WeakPolarHBondContact CA-O 3.27Å |
| 106 | L | 76.8 | Confident | 80.7 | Confident | 39 Ų | 39 | 77 Ų | 77 | 20% | 0.204 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 128.2 | 172.9 | -61.7 | -176.1 | 0 | 0 | 0 | 108.8 | Y104 E115 C117 A180 | Y104-L106 PolarHBondContact O-N 2.77Å; L106-E115 PolarHBondContact N-O 2.76Å; L106-E115 PolarHBondContact O-N 2.77Å; L106-C117 HydrophobicContact CD1-CB 3.87Å; L106-C117 HydrophobicContact CG-CB 4.23Å; L106-A180 HydrophobicContact CD2-CB 4Å |
| 107 | H | 71.1 | Confident | 80.5 | Confident | 148 Ų | 148 | 74.6 Ų | 74.6 | 69% | 0.685 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 125.1 | 174.3 | -71.3 | 64.9 | 0 | 0 | 0 | 108.5 | ||
| 108 | H | 63.3 | Low | 80.3 | Confident | 109 Ų | 109 | 74 Ų | 74 | 51% | 0.505 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -74.4 | 171.3 | 174.2 | -157.6 | 63.6 | 0 | 0 | 0 | 111 | E110 S113 | H108-E110 PolarHBondContact O-N 3.25Å; H108-E110 VanDerWaalsContact O-N 3.14Å; H108-S113 WeakPolarHBondContact CB-OG 3.12Å; H108-S113 PolarHBondContact N-O 2.89Å |
| 109 | Q | 59.3 | Low | 80.1 | Confident | 189 Ų | 189 | 74.1 Ų | 74.1 | 88% | 0.883 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -62.8 | -16.4 | 176.4 | -63.4 | -174.6 | 11.8 | 0 | 0 | 113 | ||
| 110 | E | 56.8 | Low | 79.9 | Confident | 138 Ų | 138 | 72.7 Ų | 72.7 | 65% | 0.645 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -89.3 | 129.8 | 172.5 | -68.1 | -158.1 | 42.6 | 0 | 0 | 111.4 | H108 N112 | H108-E110 PolarHBondContact O-N 3.25Å; H108-E110 VanDerWaalsContact O-N 3.14Å; E110-N112 PolarHBondContact O-N 2.75Å |
| 111 | P | 56.6 | Low | 79.8 | Confident | 121 Ų | 121 | 70.6 Ų | 70.6 | 79% | 0.786 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | 10.4 | -159.7 | 24.9 | -33.8 | 0 | 0 | 0 | 117.1 | ||
| 112 | N | 62.3 | Low | 79.8 | Confident | 166 Ų | 166 | 75.4 Ų | 75.4 | 89% | 0.888 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -142.5 | 9.9 | -177.2 | -86.4 | -18.8 | 0 | 0 | 0 | 115.4 | E110 | E110-N112 PolarHBondContact O-N 2.75Š|
| 113 | S | 68.4 | Low | 80 | Confident | 53 Ų | 53 | 73.9 Ų | 73.9 | 37% | 0.371 | 38% | 0.381 | S | S | . | . | trans | -113.4 | 113.8 | 177.3 | 61.6 | 0 | 0 | 0 | 0 | 111.2 | H108 | H108-S113 WeakPolarHBondContact CB-OG 3.12Å; H108-S113 PolarHBondContact N-O 2.89Å | ||
| 114 | V | 77.9 | Confident | 80.2 | Confident | 71 Ų | 71 | 77.1 Ų | 77.1 | 43% | 0.43 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 113.8 | 168.2 | -178.3 | 0 | 0 | 0 | 0 | 107.7 | M116 | V114-M116 HydrophobicContact CG1-CE 4.34Å |
| 115 | E | 82.8 | Confident | 80.7 | Confident | 69 Ų | 69 | 78.9 Ų | 78.9 | 32% | 0.322 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 128.5 | 175 | -166.5 | -168.9 | 146.6 | 0 | 0 | 109.1 | G105 L106 C117 E149 | G105-E115 CarbonylContact C-O 3.53Å; G105-E115 WeakPolarHBondContact CA-O 3.27Å; L106-E115 PolarHBondContact N-O 2.76Å; L106-E115 PolarHBondContact O-N 2.77Å; E115-C117 PolarHBondContact O-N 2.87Å; E115-E149 HydrophobicContact CG-CG 4.41Å; E115-E149 WeakPolarHBondContact OE1-CG 3.45Å |
| 116 | M | 87.7 | Confident | 81 | Confident | 65 Ų | 65 | 80.2 Ų | 80.2 | 32% | 0.32 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 116.5 | 175.6 | -63.1 | -63.7 | 174.2 | 0 | 0 | 109.5 | T103 Y104 V114 G150 | T103-M116 HydrophobicContact CG2-CB 4.13Å; Y104-M116 WeakPolarHBondContact O-CA 3.4Å; V114-M116 HydrophobicContact CG1-CE 4.34Å; M116-G150 PolarHBondContact O-N 3Å |
| 117 | C | 88.7 | Confident | 82 | Confident | 20 Ų | 20 | 78.8 Ų | 78.8 | 14% | 0.135 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 132.5 | 176.5 | -60 | 0 | 0 | 0 | 0 | 110.2 | T103 Y104 L106 E115 | T103-C117 CarbonylContact C-O 3.53Å; T103-C117 WeakPolarHBondContact CA-O 3.14Å; Y104-C117 PolarHBondContact N-O 2.74Å; Y104-C117 PolarHBondContact O-N 2.78Å; L106-C117 HydrophobicContact CD1-CB 3.87Å; L106-C117 HydrophobicContact CG-CB 4.23Å; E115-C117 PolarHBondContact O-N 2.87Å |
| 118 | T | 91.9 | Very high | 83.2 | Confident | 4 Ų | 4 | 72.6 Ų | 72.6 | 3% | 0.025 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 134.9 | 179 | -62.4 | 0 | 0 | 0 | 0 | 110.7 | I101 Q102 T103 T139 I140 I156 | I101-T118 HydrophobicContact CB-CG2 3.86Å; I101-T118 HydrophobicContact CD1-CG2 3.82Å; I101-T118 HydrophobicContact CG1-CG2 4.39Å; I101-T118 HydrophobicContact CG2-CG2 4.34Å; Q102-T118 CarbonylContact O-C 3.58Å; Q102-T118 VanDerWaalsContact O-CA 3.29Å; Q102-T118 WeakPolarHBondContact O-CA 3.05Å; T103-T118 WeakPolarHBondContact CB-OG1 3.39Å; T103-T118 VanDerWaalsContact CG2-OG1 3.28Å; T103-T118 WeakPolarHBondContact CG2-OG1 3.32Å; T103-T118 PolarHBondContact OG1-OG1 3.3Å; T118-T139 CarbonylContact O-C 3.55Å; T118-T139 WeakPolarHBondContact O-CG2 3.37Å; T118-I140 HydrophobicContact CG2-CD1 4.31Å; T118-I140 PolarHBondContact O-N 3.39Å; T118-I156 HydrophobicContact CG2-CD1 4.13Å; T118-I156 HydrophobicContact CG2-CG2 4.38Å; T118-I156 WeakPolarHBondContact OG1-CD1 3.41Å |
| 119 | F | 91.8 | Very high | 84.7 | Confident | 17 Ų | 17 | 67.4 Ų | 67.4 | 8% | 0.075 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 159.3 | -178 | 68.2 | -76.9 | 0 | 0 | 0 | 111.6 | I101 Q102 Y104 C121 D138 I177 | I101-F119 CarbonylContact C-O 3.55Å; I101-F119 VanDerWaalsContact CA-O 3.22Å; I101-F119 WeakPolarHBondContact CA-O 3.44Å; Q102-F119 HydrophobicContact CB-CD1 4.37Å; Q102-F119 HydrophobicContact CB-CE1 3.49Å; Q102-F119 VanDerWaalsContact CB-CE1 3.49Å; Q102-F119 HydrophobicContact CB-CE2 4.26Å; Q102-F119 HydrophobicContact CB-CZ 3.43Å; Q102-F119 VanDerWaalsContact CB-CZ 3.43Å; Q102-F119 HydrophobicContact CG-CZ 4.42Å; Q102-F119 PolarHBondContact N-O 2.62Å; Q102-F119 WeakPolarHBondContact O-CD1 3.25Å; Q102-F119 WeakPolarHBondContact O-CE1 3.3Å; Q102-F119 PolarHBondContact O-N 3.35Å; Y104-F119 HydrophobicContact CD2-CD1 4.05Å; Y104-F119 AromaticContact CD2-CE1 3.16Å; Y104-F119 HydrophobicContact CD2-CE1 3.16Å; Y104-F119 AromaticContact CD2-CZ 3.78Å; Y104-F119 HydrophobicContact CD2-CZ 3.78Å; Y104-F119 HydrophobicContact CE2-CD1 4.3Å; Y104-F119 AromaticContact CE2-CE1 3.1Å; Y104-F119 HydrophobicContact CE2-CE1 3.1Å; Y104-F119 HydrophobicContact CE2-CE2 4.43Å; Y104-F119 AromaticContact CE2-CZ 3.17Å; Y104-F119 HydrophobicContact CE2-CZ 3.17Å; Y104-F119 HydrophobicContact CG-CE1 4.17Å; Y104-F119 AromaticContact CZ-CZ 3.95Å; F119-C121 HydrophobicContact CD2-CB 4.38Å; F119-C121 HydrophobicContact CE2-CB 3.75Å; F119-C121 HydrophobicContact CZ-CB 4.33Å; F119-C121 PolarHBondContact O-N 2.9Å; F119-D138 CarbonylContact C-O 3.46Å; F119-D138 WeakPolarHBondContact CA-O 3.19Å; F119-D138 WeakPolarHBondContact CB-O 3.22Å; F119-I177 HydrophobicContact CB-CD1 3.45Å; F119-I177 VanDerWaalsContact CB-CD1 3.45Å; F119-I177 HydrophobicContact CD1-CD1 3.83Å; F119-I177 HydrophobicContact CD1-CG1 4.14Å; F119-I177 HydrophobicContact CD1-CG2 4.38Å; F119-I177 HydrophobicContact CD2-CD1 4.22Å; F119-I177 HydrophobicContact CE1-CG2 4.21Å; F119-I177 HydrophobicContact CE2-CG2 4.32Å; F119-I177 HydrophobicContact CG-CD1 3.54Å; F119-I177 HydrophobicContact CG-CG1 4.29Å; F119-I177 HydrophobicContact CZ-CG2 4.16Å |
| 120 | V | 94.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 111.8 | 176.5 | -177.5 | 0 | 0 | 0 | 0 | 108.9 | F99 E100 R122 V123 L134 G137 D138 I140 | F99-V120 HydrophobicContact CB-CG1 4.33Å; F99-V120 HydrophobicContact CD2-CG2 4.5Å; E100-V120 CarbonylContact O-C 3.59Å; E100-V120 WeakPolarHBondContact O-CA 3.47Å; V120-R122 WeakPolarHBondContact CG1-O 3.46Å; V120-V123 HydrophobicContact CG1-CG2 3.5Å; V120-V123 VanDerWaalsContact CG1-CG2 3.5Å; V120-L134 HydrophobicContact CG1-CD2 4.14Å; V120-L134 HydrophobicContact CG1-CG 4.35Å; V120-L134 HydrophobicContact CG2-CD1 4.01Å; V120-L134 HydrophobicContact CG2-CD2 3.86Å; V120-L134 HydrophobicContact CG2-CG 3.99Å; V120-G137 PolarHBondContact O-N 2.91Å; V120-D138 HydrophobicContact CB-CB 4.47Å; V120-D138 HydrophobicContact CG2-CB 4.19Å; V120-D138 PolarHBondContact N-O 3.03Å; V120-I140 HydrophobicContact CG2-CD1 4.41Å; V120-I140 HydrophobicContact CG2-CG1 4.38Å |
| 121 | C | 93.1 | Very high | 88.3 | Confident | 21 Ų | 21 | 62.5 Ų | 62.5 | 14% | 0.142 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | -26.3 | -178.6 | 68.4 | 0 | 0 | 0 | 0 | 112.4 | E100 Q102 F119 V136 | E100-C121 PolarHBondContact O-N 2.85Å; E100-C121 PolarHBondContact O-SG 3.49Å; E100-C121 VanDerWaalsContact O-SG 3.41Å; Q102-C121 HydrophobicContact CB-CB 4.27Å; Q102-C121 HydrophobicContact CG-CB 4.03Å; F119-C121 HydrophobicContact CD2-CB 4.38Å; F119-C121 HydrophobicContact CE2-CB 3.75Å; F119-C121 HydrophobicContact CZ-CB 4.33Å; F119-C121 PolarHBondContact O-N 2.9Å; C121-V136 WeakPolarHBondContact O-CG1 3.48Å |
| 122 | R | 95.3 | Very high | 90.2 | Very high | 124 Ų | 124 | 58.2 Ų | 58.2 | 47% | 0.468 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 147.7 | 176.7 | -68.1 | -173.7 | -80.5 | -92.5 | 2.8 | 111 | F99 E100 V120 | F99-R122 CarbonylContact C-O 3.57Å; F99-R122 WeakPolarHBondContact CA-O 3.16Å; E100-R122 HydrophobicContact CB-CB 4.15Å; E100-R122 HydrophobicContact CG-CB 4.38Å; E100-R122 PolarHBondContact N-O 3.13Å; E100-R122 PolarHBondContact O-N 3.29Å; E100-R122 IonicContact OE1-CZ 3.9Å; E100-R122 IonicContact OE1-NE 2.63Å; E100-R122 PolarHBondContact OE1-NE 2.81Å; E100-R122 IonicContact OE1-NH2 3.3Å; E100-R122 IonicContact OE2-CZ 3.37Å; E100-R122 VanDerWaalsContact OE2-CZ 3.3Å; E100-R122 IonicContact OE2-NE 3.58Å; E100-R122 PolarHBondContact OE2-NE 3.32Å; E100-R122 IonicContact OE2-NH2 3.92Å; E100-R122 PolarHBondContact OE2-NH2 3.25Å; V120-R122 WeakPolarHBondContact CG1-O 3.46Å |
| 123 | V | 96.6 | Very high | 91.6 | Very high | 28 Ų | 28 | 51.4 Ų | 51.4 | 17% | 0.17 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 129.3 | 170.3 | -178.5 | 0 | 0 | 0 | 0 | 106.8 | F99 V120 A129 Q130 L134 V136 | F99-V123 HydrophobicContact CB-CG2 4.32Å; V120-V123 HydrophobicContact CG1-CG2 3.5Å; V120-V123 VanDerWaalsContact CG1-CG2 3.5Å; V123-A129 HydrophobicContact CG1-CB 4.08Å; V123-Q130 HydrophobicContact CG1-CB 3.91Å; V123-L134 HydrophobicContact CG2-CG 4.49Å; V123-V136 HydrophobicContact CB-CG2 4.41Å; V123-V136 HydrophobicContact CG2-CG2 4.12Å |
| 124 | H | 97 | Very high | 92.9 | Very high | 100 Ų | 100 | 49.1 Ų | 49.1 | 46% | 0.463 | 28% | 0.275 | S | S | . | . | trans | -80.9 | 143.1 | -179.7 | -68.7 | -72.6 | 0 | 0 | 0 | 111.3 | G98 E100 S127 | G98-H124 PolarHBondContact O-CD2 2.86Å; G98-H124 PolarHBondContact O-N 2.67Å; E100-H124 IonicContact OE1-NE2 3.58Å; H124-S127 VanDerWaalsContact O-CB 3.27Å; H124-S127 WeakPolarHBondContact O-CB 3.49Å; H124-S127 PolarHBondContact O-N 3.17Å; H124-S127 PolarHBondContact O-OG 3.42Å | ||
| 125 | D | 95.8 | Very high | 93.6 | Very high | 141 Ų | 141 | 51.9 Ų | 51.9 | 75% | 0.754 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | 139.2 | 175.9 | -66.7 | -43.5 | 0 | 0 | 0 | 111.6 | S127 Q130 | D125-S127 PolarHBondContact O-N 2.97Å; D125-Q130 VanDerWaalsContact CA-OE1 3.28Å; D125-Q130 PolarHBondContact OD1-NE2 2.76Å |
| 126 | G | 94.3 | Very high | 94 | Very high | 62 Ų | 62 | 52.6 Ų | 52.6 | 64% | 0.639 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.3 | 6.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 127 | S | 96.4 | Very high | 94.1 | Very high | 9 Ų | 9 | 50.4 Ų | 50.4 | 6% | 0.063 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -80.4 | 157.5 | -179.1 | 66.8 | 0 | 0 | 0 | 0 | 113.6 | G98 H124 D125 A129 Q130 L131 | G98-S127 PolarHBondContact O-OG 3.31Å; H124-S127 VanDerWaalsContact O-CB 3.27Å; H124-S127 WeakPolarHBondContact O-CB 3.49Å; H124-S127 PolarHBondContact O-N 3.17Å; H124-S127 PolarHBondContact O-OG 3.42Å; D125-S127 PolarHBondContact O-N 2.97Å; S127-A129 PolarHBondContact O-N 2.98Å; S127-Q130 PolarHBondContact O-N 3.44Å; S127-Q130 PolarHBondContact OG-N 3.21Å; S127-L131 WeakPolarHBondContact O-CG 3.32Å; S127-L131 PolarHBondContact O-N 2.99Å |
| 128 | P | 96.3 | Very high | 94.2 | Very high | 17 Ų | 17 | 49.8 Ų | 49.8 | 11% | 0.11 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -51.4 | -37.2 | 170 | -29.5 | 36.4 | 0 | 0 | 0 | 113.7 | E90 K91 E95 L131 A132 | E90-P128 WeakPolarHBondContact O-CB 3.42Å; K91-P128 HydrophobicContact CB-CB 4.43Å; K91-P128 HydrophobicContact CB-CG 4.11Å; E95-P128 HydrophobicContact CG-CG 4.36Å; E95-P128 WeakPolarHBondContact OE1-CG 3.19Å; P128-L131 PolarHBondContact O-N 2.93Å; P128-A132 WeakPolarHBondContact O-CB 3.27Å; P128-A132 PolarHBondContact O-N 2.78Å |
| 129 | A | 96.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.2 | -42.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L89 F97 F99 V123 S127 A132 G133 L134 | L89-A129 HydrophobicContact CD2-CB 3.63Å; F97-A129 WeakPolarHBondContact O-CB 3.39Å; F97-A129 PolarHBondContact O-N 3.37Å; F99-A129 HydrophobicContact CB-CB 3.92Å; F99-A129 HydrophobicContact CD1-CB 3.83Å; F99-A129 HydrophobicContact CG-CB 4.27Å; V123-A129 HydrophobicContact CG1-CB 4.08Å; S127-A129 PolarHBondContact O-N 2.98Å; A129-A132 PolarHBondContact O-N 2.8Å; A129-G133 PolarHBondContact O-N 3.26Å; A129-L134 HydrophobicContact CB-CB 4.25Å; A129-L134 HydrophobicContact CB-CD2 4.01Å; A129-L134 VanDerWaalsContact O-CB 3.25Å; A129-L134 WeakPolarHBondContact O-CB 3.34Å; A129-L134 PolarHBondContact O-N 2.99Å |
| 130 | Q | 95.9 | Very high | 94.4 | Very high | 80 Ų | 80 | 50.1 Ų | 50.1 | 37% | 0.374 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.1 | -42.1 | 176.7 | -170.4 | 179.8 | 47 | 0 | 0 | 111.1 | V123 D125 S127 A132 G133 | V123-Q130 HydrophobicContact CG1-CB 3.91Å; D125-Q130 VanDerWaalsContact CA-OE1 3.28Å; D125-Q130 PolarHBondContact OD1-NE2 2.76Å; S127-Q130 PolarHBondContact O-N 3.44Å; S127-Q130 PolarHBondContact OG-N 3.21Å; Q130-A132 VanDerWaalsContact C-N 3.35Å; Q130-A132 PolarHBondContact O-N 3.36Å; Q130-G133 WeakPolarHBondContact O-CA 3.47Å; Q130-G133 PolarHBondContact O-N 2.9Å |
| 131 | L | 95.4 | Very high | 94.3 | Very high | 144 Ų | 144 | 51.2 Ų | 51.2 | 75% | 0.754 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -64.8 | -37.8 | 178.7 | -65.1 | 175.3 | 0 | 0 | 0 | 112.3 | S127 P128 G133 | S127-L131 WeakPolarHBondContact O-CG 3.32Å; S127-L131 PolarHBondContact O-N 2.99Å; P128-L131 PolarHBondContact O-N 2.93Å; L131-G133 PolarHBondContact O-N 2.81Å |
| 132 | A | 95 | Very high | 94.4 | Very high | 32 Ų | 32 | 50.5 Ų | 50.5 | 26% | 0.264 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -10.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | V87 N88 L89 P128 A129 Q130 | V87-A132 HydrophobicContact CG1-CB 3.67Å; N88-A132 WeakPolarHBondContact O-CB 3.33Å; L89-A132 HydrophobicContact CG-CB 4.02Å; P128-A132 WeakPolarHBondContact O-CB 3.27Å; P128-A132 PolarHBondContact O-N 2.78Å; A129-A132 PolarHBondContact O-N 2.8Å; Q130-A132 VanDerWaalsContact C-N 3.35Å; Q130-A132 PolarHBondContact O-N 3.36Å |
| 133 | G | 93 | Very high | 94.4 | Very high | 22 Ų | 22 | 44.6 Ų | 44.6 | 23% | 0.227 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | 27.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114 | K85 A129 Q130 L131 | K85-G133 PolarHBondContact NZ-O 3.47Å; A129-G133 PolarHBondContact O-N 3.26Å; Q130-G133 WeakPolarHBondContact O-CA 3.47Å; Q130-G133 PolarHBondContact O-N 2.9Å; L131-G133 PolarHBondContact O-N 2.81Å |
| 134 | L | 94.8 | Very high | 94.2 | Very high | 6 Ų | 6 | 46 Ų | 46 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | trans | -68.8 | 137.1 | 167.5 | -166 | 67.9 | 0 | 0 | 0 | 109.4 | V87 L89 F99 V120 V123 A129 D138 L169 T171 | V87-L134 HydrophobicContact CG1-CB 4.35Å; V87-L134 HydrophobicContact CG1-CD1 4.43Å; V87-L134 HydrophobicContact CG2-CD1 4.4Å; L89-L134 HydrophobicContact CD2-CD2 4.49Å; F99-L134 HydrophobicContact CB-CD2 3.83Å; F99-L134 HydrophobicContact CD1-CD2 4.01Å; F99-L134 HydrophobicContact CD2-CD2 3.92Å; F99-L134 HydrophobicContact CE2-CD2 4.49Å; F99-L134 HydrophobicContact CG-CD2 3.64Å; V120-L134 HydrophobicContact CG1-CD2 4.14Å; V120-L134 HydrophobicContact CG1-CG 4.35Å; V120-L134 HydrophobicContact CG2-CD1 4.01Å; V120-L134 HydrophobicContact CG2-CD2 3.86Å; V120-L134 HydrophobicContact CG2-CG 3.99Å; V123-L134 HydrophobicContact CG2-CG 4.49Å; A129-L134 HydrophobicContact CB-CB 4.25Å; A129-L134 HydrophobicContact CB-CD2 4.01Å; A129-L134 VanDerWaalsContact O-CB 3.25Å; A129-L134 WeakPolarHBondContact O-CB 3.34Å; A129-L134 PolarHBondContact O-N 2.99Å; L134-D138 HydrophobicContact CD1-CB 4.39Å; L134-L169 HydrophobicContact CD1-CD1 4.28Å; L134-L169 HydrophobicContact CD2-CD1 4.43Å; L134-T171 HydrophobicContact CD1-CG2 3.89Å | ||
| 135 | K | 92.5 | Very high | 93.9 | Very high | 129 Ų | 129 | 49 Ų | 49 | 56% | 0.561 | 29% | 0.285 | S | S | * | . | trans | -122 | 152.7 | -178.7 | -65.9 | -174.3 | -179.8 | -178.5 | 0 | 111.8 | G137 D138 | K135-G137 PolarHBondContact O-N 3.21Å; K135-D138 PolarHBondContact N-OD2 2.88Å; K135-D138 VanDerWaalsContact O-CB 3.3Å; K135-D138 WeakPolarHBondContact O-CB 3.41Å; K135-D138 PolarHBondContact O-N 2.79Å | ||
| 136 | V | 91.9 | Very high | 93.8 | Very high | 84 Ų | 84 | 45.1 Ų | 45.1 | 51% | 0.509 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 131.9 | 169.3 | 179.9 | 0 | 0 | 0 | 0 | 109.3 | C121 V123 | C121-V136 WeakPolarHBondContact O-CG1 3.48Å; V123-V136 HydrophobicContact CB-CG2 4.41Å; V123-V136 HydrophobicContact CG2-CG2 4.12Å |
| 137 | G | 89.3 | Confident | 93.8 | Very high | 19 Ų | 19 | 45 Ų | 45 | 20% | 0.196 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.3 | -2.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | V120 K135 T139 | V120-G137 PolarHBondContact O-N 2.91Å; K135-G137 PolarHBondContact O-N 3.21Å; G137-T139 PolarHBondContact O-N 3.19Å |
| 138 | D | 92.3 | Very high | 93.6 | Very high | 6 Ų | 6 | 44.9 Ų | 44.9 | 3% | 0.032 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 123.5 | 170.4 | -78.6 | -10.9 | 0 | 0 | 0 | 110 | F119 V120 L134 K135 T171 Y173 | F119-D138 CarbonylContact C-O 3.46Å; F119-D138 WeakPolarHBondContact CA-O 3.19Å; F119-D138 WeakPolarHBondContact CB-O 3.22Å; V120-D138 HydrophobicContact CB-CB 4.47Å; V120-D138 HydrophobicContact CG2-CB 4.19Å; V120-D138 PolarHBondContact N-O 3.03Å; L134-D138 HydrophobicContact CD1-CB 4.39Å; K135-D138 PolarHBondContact N-OD2 2.88Å; K135-D138 VanDerWaalsContact O-CB 3.3Å; K135-D138 WeakPolarHBondContact O-CB 3.41Å; K135-D138 PolarHBondContact O-N 2.79Å; D138-T171 HydrophobicContact CB-CG2 4.15Å; D138-Y173 WeakPolarHBondContact OD1-CD2 3.46Å |
| 139 | T | 92.1 | Very high | 93.1 | Very high | 22 Ų | 22 | 50.6 Ų | 50.6 | 14% | 0.135 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 127.6 | 173.1 | -55.4 | 0 | 0 | 0 | 0 | 109.1 | T118 G137 A141 T171 V172 S174 | T118-T139 CarbonylContact O-C 3.55Å; T118-T139 WeakPolarHBondContact O-CG2 3.37Å; G137-T139 PolarHBondContact O-N 3.19Å; T139-A141 PolarHBondContact O-N 2.82Å; T139-T171 CarbonylContact O-C 3.53Å; T139-T171 WeakPolarHBondContact O-CA 3.26Å; T139-V172 PolarHBondContact N-O 2.86Å; T139-V172 PolarHBondContact O-N 3.44Å; T139-S174 PolarHBondContact OG1-OG 3.1Å |
| 140 | I | 93.9 | Very high | 92.6 | Very high | 7 Ų | 7 | 52.8 Ų | 52.8 | 4% | 0.036 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 116.5 | 179.5 | -55.2 | 179.5 | 0 | 0 | 0 | 108.5 | I101 T118 V120 V143 V148 L169 | I101-I140 HydrophobicContact CG2-CD1 3.58Å; T118-I140 HydrophobicContact CG2-CD1 4.31Å; T118-I140 PolarHBondContact O-N 3.39Å; V120-I140 HydrophobicContact CG2-CD1 4.41Å; V120-I140 HydrophobicContact CG2-CG1 4.38Å; I140-V143 HydrophobicContact CG2-CG2 3.82Å; I140-V148 HydrophobicContact CB-CG2 4.5Å; I140-V148 HydrophobicContact CG2-CG2 3.92Å; I140-V148 WeakPolarHBondContact O-CG2 3.3Å; I140-L169 HydrophobicContact CG2-CD2 4.35Å |
| 141 | A | 92.9 | Very high | 92.3 | Very high | 23 Ų | 23 | 52.4 Ų | 52.4 | 19% | 0.19 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | -37.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | T139 V148 E170 | T139-A141 PolarHBondContact O-N 2.82Å; A141-V148 PolarHBondContact O-N 3.47Å; A141-E170 WeakPolarHBondContact CB-O 3.29Å; A141-E170 PolarHBondContact N-O 3.36Å |
| 142 | S | 94.8 | Very high | 92.2 | Very high | 5 Ų | 5 | 50.3 Ų | 50.3 | 4% | 0.035 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 155.9 | 176.2 | 72.1 | 0 | 0 | 0 | 0 | 112.8 | T146 L169 E170 | S142-T146 CarbonylContact C-O 3.56Å; S142-T146 WeakPolarHBondContact CA-O 3.45Å; S142-T146 VanDerWaalsContact CB-O 3.27Å; S142-T146 WeakPolarHBondContact CB-O 3.22Å; S142-L169 WeakPolarHBondContact O-CA 3.36Å; S142-E170 PolarHBondContact N-O 2.99Å; S142-E170 PolarHBondContact O-N 3.04Å; S142-E170 WeakPolarHBondContact OG-CB 3.34Å; S142-E170 WeakPolarHBondContact OG-CG 3.28Å; S142-E170 PolarHBondContact OG-OE2 3.24Å |
| 143 | V | 96.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 120.7 | 177.7 | 179.8 | 0 | 0 | 0 | 0 | 108.2 | I140 E145 T146 V148 L159 I160 L167 L169 | I140-V143 HydrophobicContact CG2-CG2 3.82Å; V143-E145 VanDerWaalsContact C-N 3.27Å; V143-E145 PolarHBondContact O-N 3.39Å; V143-T146 PolarHBondContact N-O 2.88Å; V143-T146 WeakPolarHBondContact O-CB 3.32Å; V143-T146 PolarHBondContact O-N 3.41Å; V143-V148 HydrophobicContact CB-CG1 4.23Å; V143-V148 HydrophobicContact CG2-CG1 3.79Å; V143-L159 HydrophobicContact CB-CD2 3.65Å; V143-L159 HydrophobicContact CB-CG 4.08Å; V143-L159 HydrophobicContact CG1-CD2 4.02Å; V143-L159 HydrophobicContact CG1-CG 3.85Å; V143-L159 HydrophobicContact CG2-CD2 4.32Å; V143-I160 HydrophobicContact CG1-CG1 4.04Å; V143-I160 HydrophobicContact CG2-CG1 4.28Å; V143-L167 HydrophobicContact CG1-CD1 3.61Å; V143-L169 HydrophobicContact CB-CD2 4.25Å; V143-L169 HydrophobicContact CG1-CD2 4.14Å; V143-L169 HydrophobicContact CG2-CD2 3.76Å |
| 144 | N | 92.3 | Very high | 92.3 | Very high | 58 Ų | 58 | 59.6 Ų | 59.6 | 31% | 0.31 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 43.1 | 52.2 | -177.5 | -78 | 8.8 | 0 | 0 | 0 | 112.5 | T146 C163 R168 | N144-T146 PolarHBondContact O-N 3.4Å; N144-C163 WeakPolarHBondContact ND2-CB 3.47Å; N144-C163 PolarHBondContact ND2-SG 2.9Å; N144-R168 PolarHBondContact N-O 3.14Å; N144-R168 PolarHBondContact OD1-N 2.92Å |
| 145 | E | 90.4 | Very high | 92.4 | Very high | 162 Ų | 162 | 62.7 Ų | 62.7 | 76% | 0.757 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.7 | -4.4 | -179.9 | -56.4 | 170.2 | -173 | 0 | 0 | 116.2 | V143 R168 | V143-E145 VanDerWaalsContact C-N 3.27Å; V143-E145 PolarHBondContact O-N 3.39Å; E145-R168 VanDerWaalsContact CG-NH1 3.26Å; E145-R168 IonicContact OE1-NH1 2.74Å |
| 146 | T | 94.2 | Very high | 92.5 | Very high | 60 Ų | 60 | 56.6 Ų | 56.6 | 37% | 0.368 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 118.1 | 175 | -52.9 | 0 | 0 | 0 | 0 | 109.8 | S142 V143 N144 V148 F151 L159 | S142-T146 CarbonylContact C-O 3.56Å; S142-T146 WeakPolarHBondContact CA-O 3.45Å; S142-T146 VanDerWaalsContact CB-O 3.27Å; S142-T146 WeakPolarHBondContact CB-O 3.22Å; V143-T146 PolarHBondContact N-O 2.88Å; V143-T146 WeakPolarHBondContact O-CB 3.32Å; V143-T146 PolarHBondContact O-N 3.41Å; N144-T146 PolarHBondContact O-N 3.4Å; T146-V148 PolarHBondContact O-N 3.33Å; T146-F151 HydrophobicContact CG2-CE2 4.49Å; T146-F151 HydrophobicContact CG2-CZ 4.19Å; T146-L159 HydrophobicContact CG2-CD2 4.18Å |
| 147 | A | 93.3 | Very high | 92.7 | Very high | 61 Ų | 61 | 53.9 Ų | 53.9 | 50% | 0.504 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 131 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | F151 | A147-F151 WeakPolarHBondContact O-CE1 3.38Å |
| 148 | V | 92.1 | Very high | 93 | Very high | 5 Ų | 5 | 59.3 Ų | 59.3 | 3% | 0.03 | 32% | 0.316 | C | S | . | . | trans | -105 | 16.5 | -175.3 | -64.9 | 0 | 0 | 0 | 0 | 113 | I140 A141 V143 T146 G150 F151 I156 L159 | I140-V148 HydrophobicContact CB-CG2 4.5Å; I140-V148 HydrophobicContact CG2-CG2 3.92Å; I140-V148 WeakPolarHBondContact O-CG2 3.3Å; A141-V148 PolarHBondContact O-N 3.47Å; V143-V148 HydrophobicContact CB-CG1 4.23Å; V143-V148 HydrophobicContact CG2-CG1 3.79Å; T146-V148 PolarHBondContact O-N 3.33Å; V148-G150 PolarHBondContact O-N 3.41Å; V148-F151 HydrophobicContact CB-CB 4.38Å; V148-F151 HydrophobicContact CB-CG 4.35Å; V148-F151 WeakPolarHBondContact O-CB 3.35Å; V148-F151 PolarHBondContact O-N 3.36Å; V148-F151 VanDerWaalsContact O-N 3.15Å; V148-I156 HydrophobicContact CB-CD1 4.16Å; V148-I156 HydrophobicContact CB-CG1 4.08Å; V148-I156 HydrophobicContact CG1-CG1 4.23Å; V148-L159 HydrophobicContact CG1-CD2 3.89Å | ||
| 149 | E | 87.1 | Confident | 93.1 | Very high | 138 Ų | 138 | 60.7 Ų | 60.7 | 65% | 0.645 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 122.6 | 176.7 | -166.1 | 178.4 | 153.2 | 0 | 0 | 110.1 | E115 F151 | E115-E149 HydrophobicContact CG-CG 4.41Å; E115-E149 WeakPolarHBondContact OE1-CG 3.45Å; E149-F151 VanDerWaalsContact C-N 3.25Å; E149-F151 PolarHBondContact O-N 2.85Å |
| 150 | G | 84.5 | Confident | 93.3 | Very high | 45 Ų | 45 | 60.5 Ų | 60.5 | 46% | 0.464 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | -0 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | M116 V148 | M116-G150 PolarHBondContact O-N 3Å; V148-G150 PolarHBondContact O-N 3.41Å |
| 151 | F | 91.5 | Very high | 93.3 | Very high | 72 Ų | 72 | 69.5 Ų | 69.5 | 32% | 0.316 | 35% | 0.354 | S | S | . | . | trans | -70.5 | 146.1 | 177.3 | -80.1 | 47.6 | 0 | 0 | 0 | 110.8 | T146 A147 V148 E149 D155 I156 | T146-F151 HydrophobicContact CG2-CE2 4.49Å; T146-F151 HydrophobicContact CG2-CZ 4.19Å; A147-F151 WeakPolarHBondContact O-CE1 3.38Å; V148-F151 HydrophobicContact CB-CB 4.38Å; V148-F151 HydrophobicContact CB-CG 4.35Å; V148-F151 WeakPolarHBondContact O-CB 3.35Å; V148-F151 PolarHBondContact O-N 3.36Å; V148-F151 VanDerWaalsContact O-N 3.15Å; E149-F151 VanDerWaalsContact C-N 3.25Å; E149-F151 PolarHBondContact O-N 2.85Å; F151-D155 HydrophobicContact CD2-CB 3.96Å; F151-I156 HydrophobicContact CB-CD1 3.85Å; F151-I156 HydrophobicContact CB-CG1 3.57Å; F151-I156 HydrophobicContact CG-CG1 4.45Å | ||
| 152 | L | 93.2 | Very high | 93.3 | Very high | 101 Ų | 101 | 72.7 Ų | 72.7 | 53% | 0.529 | 38% | 0.375 | S | S | . | . | trans | -73.3 | 155.7 | 172.1 | -60.3 | 177.4 | 0 | 0 | 0 | 110.1 | K154 D155 I156 | L152-K154 PolarHBondContact O-N 3.34Å; L152-K154 VanDerWaalsContact O-N 3.15Å; L152-D155 WeakPolarHBondContact CB-OD2 2.91Å; L152-D155 PolarHBondContact N-OD2 2.93Å; L152-D155 PolarHBondContact O-N 3.5Å; L152-I156 PolarHBondContact O-N 3.27Å | ||
| 153 | H | 94.2 | Very high | 93.1 | Very high | 78 Ų | 78 | 73.3 Ų | 73.3 | 36% | 0.361 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -50.5 | -43.3 | 178.2 | -176.1 | 74 | 0 | 0 | 0 | 112.9 | I101 T103 D155 I156 V157 | I101-H153 PolarHBondContact O-CE1 2.86Å; T103-H153 WeakPolarHBondContact OG1-CB 3.5Å; T103-H153 PolarHBondContact OG1-ND1 3.46Å; H153-D155 PolarHBondContact O-N 2.92Å; H153-I156 PolarHBondContact O-N 2.89Å; H153-V157 VanDerWaalsContact O-CG2 3.28Å; H153-V157 WeakPolarHBondContact O-CG2 3.49Å; H153-V157 PolarHBondContact O-N 3.48Å |
| 154 | K | 95.4 | Very high | 92.9 | Very high | 170 Ų | 170 | 75 Ų | 75 | 74% | 0.739 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -62.1 | -42.5 | -179.1 | -67.4 | -176.3 | 179.1 | 179.3 | 0 | 112.1 | L152 V157 Q158 | L152-K154 PolarHBondContact O-N 3.34Å; L152-K154 VanDerWaalsContact O-N 3.15Å; K154-V157 PolarHBondContact O-N 3.34Å; K154-Q158 WeakPolarHBondContact O-CB 3.43Å; K154-Q158 PolarHBondContact O-N 3.36Å |
| 155 | D | 95.5 | Very high | 93.1 | Very high | 72 Ų | 72 | 75 Ų | 75 | 39% | 0.385 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67.2 | -40.8 | -176.8 | -53.5 | -30.5 | 0 | 0 | 0 | 110.5 | F151 L152 H153 Q158 L159 | F151-D155 HydrophobicContact CD2-CB 3.96Å; L152-D155 WeakPolarHBondContact CB-OD2 2.91Å; L152-D155 PolarHBondContact N-OD2 2.93Å; L152-D155 PolarHBondContact O-N 3.5Å; H153-D155 PolarHBondContact O-N 2.92Å; D155-Q158 PolarHBondContact O-N 2.85Å; D155-L159 WeakPolarHBondContact O-CB 3.33Å; D155-L159 PolarHBondContact O-N 3.03Å |
| 156 | I | 95.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -66.5 | -43.6 | 177.2 | -59.3 | 170.2 | 0 | 0 | 0 | 110.7 | I101 T118 V148 F151 L152 H153 Q158 L159 I160 | I101-I156 HydrophobicContact CD1-CG2 3.91Å; T118-I156 HydrophobicContact CG2-CD1 4.13Å; T118-I156 HydrophobicContact CG2-CG2 4.38Å; T118-I156 WeakPolarHBondContact OG1-CD1 3.41Å; V148-I156 HydrophobicContact CB-CD1 4.16Å; V148-I156 HydrophobicContact CB-CG1 4.08Å; V148-I156 HydrophobicContact CG1-CG1 4.23Å; F151-I156 HydrophobicContact CB-CD1 3.85Å; F151-I156 HydrophobicContact CB-CG1 3.57Å; F151-I156 HydrophobicContact CG-CG1 4.45Å; L152-I156 PolarHBondContact O-N 3.27Å; H153-I156 PolarHBondContact O-N 2.89Å; I156-Q158 VanDerWaalsContact C-N 3.3Å; I156-Q158 PolarHBondContact O-N 2.8Å; I156-L159 PolarHBondContact O-N 2.67Å; I156-I160 HydrophobicContact CG2-CD1 3.96Å; I156-I160 VanDerWaalsContact O-CG1 3.32Å; I156-I160 WeakPolarHBondContact O-CG1 3.45Å; I156-I160 PolarHBondContact O-N 3.06Å |
| 157 | V | 95.6 | Very high | 93.4 | Very high | 28 Ų | 28 | 68.7 Ų | 68.7 | 17% | 0.17 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.9 | -42.3 | 175.6 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | I101 H153 K154 I160 R161 | I101-V157 HydrophobicContact CD1-CG2 3.86Å; I101-V157 HydrophobicContact CG1-CG2 4.43Å; H153-V157 VanDerWaalsContact O-CG2 3.28Å; H153-V157 WeakPolarHBondContact O-CG2 3.49Å; H153-V157 PolarHBondContact O-N 3.48Å; K154-V157 PolarHBondContact O-N 3.34Å; V157-I160 PolarHBondContact O-N 3.48Å; V157-R161 VanDerWaalsContact CG1-CZ 3.49Å; V157-R161 WeakPolarHBondContact O-CB 3.39Å; V157-R161 VanDerWaalsContact O-CG 3.26Å; V157-R161 WeakPolarHBondContact O-CG 3.28Å; V157-R161 PolarHBondContact O-N 2.76Å |
| 158 | Q | 95.6 | Very high | 93.6 | Very high | 133 Ų | 133 | 69.2 Ų | 69.2 | 62% | 0.621 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -65.1 | -42.6 | 177.2 | -177.4 | 173.1 | -12.9 | 0 | 0 | 111.5 | K154 D155 I156 R161 S162 | K154-Q158 WeakPolarHBondContact O-CB 3.43Å; K154-Q158 PolarHBondContact O-N 3.36Å; D155-Q158 PolarHBondContact O-N 2.85Å; I156-Q158 VanDerWaalsContact C-N 3.3Å; I156-Q158 PolarHBondContact O-N 2.8Å; Q158-R161 PolarHBondContact O-N 2.77Å; Q158-S162 WeakPolarHBondContact O-CB 3.44Å; Q158-S162 PolarHBondContact O-N 3.49Å |
| 159 | L | 95.6 | Very high | 93.8 | Very high | 35 Ų | 35 | 69 Ų | 69 | 18% | 0.183 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.2 | -50.2 | 176.8 | -173.3 | 61.1 | 0 | 0 | 0 | 110.6 | V143 T146 V148 D155 I156 R161 S162 C163 | V143-L159 HydrophobicContact CB-CD2 3.65Å; V143-L159 HydrophobicContact CB-CG 4.08Å; V143-L159 HydrophobicContact CG1-CD2 4.02Å; V143-L159 HydrophobicContact CG1-CG 3.85Å; V143-L159 HydrophobicContact CG2-CD2 4.32Å; T146-L159 HydrophobicContact CG2-CD2 4.18Å; V148-L159 HydrophobicContact CG1-CD2 3.89Å; D155-L159 WeakPolarHBondContact O-CB 3.33Å; D155-L159 PolarHBondContact O-N 3.03Å; I156-L159 PolarHBondContact O-N 2.67Å; L159-R161 VanDerWaalsContact C-N 3.31Å; L159-R161 PolarHBondContact O-N 3.46Å; L159-S162 PolarHBondContact O-N 3.32Å; L159-S162 VanDerWaalsContact O-N 3.1Å; L159-S162 PolarHBondContact O-OG 2.85Å; L159-C163 PolarHBondContact O-N 2.84Å; L159-C163 PolarHBondContact O-SG 3.28Å |
| 160 | I | 95.1 | Very high | 94.2 | Very high | 17 Ų | 17 | 64.4 Ų | 64.4 | 9% | 0.087 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -57.5 | -43.4 | 176.1 | -68.8 | 166.6 | 0 | 0 | 0 | 111.5 | F99 I101 V143 I156 V157 S162 C163 L167 | F99-I160 HydrophobicContact CE2-CD1 4.35Å; F99-I160 HydrophobicContact CZ-CD1 4.25Å; F99-I160 HydrophobicContact CZ-CG2 4.31Å; I101-I160 HydrophobicContact CD1-CD1 4.04Å; V143-I160 HydrophobicContact CG1-CG1 4.04Å; V143-I160 HydrophobicContact CG2-CG1 4.28Å; I156-I160 HydrophobicContact CG2-CD1 3.96Å; I156-I160 VanDerWaalsContact O-CG1 3.32Å; I156-I160 WeakPolarHBondContact O-CG1 3.45Å; I156-I160 PolarHBondContact O-N 3.06Å; V157-I160 PolarHBondContact O-N 3.48Å; I160-S162 VanDerWaalsContact C-N 3.32Å; I160-S162 PolarHBondContact O-N 2.63Å; I160-C163 WeakPolarHBondContact O-CB 3.22Å; I160-C163 PolarHBondContact O-N 3.24Å; I160-L167 HydrophobicContact CB-CD1 4.48Å; I160-L167 HydrophobicContact CG1-CD1 4.32Å; I160-L167 HydrophobicContact CG2-CD1 4.31Å; I160-L167 HydrophobicContact CG2-CD2 3.85Å |
| 161 | R | 93 | Very high | 94.6 | Very high | 197 Ų | 197 | 62.2 Ų | 62.2 | 74% | 0.743 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -66.3 | -34.1 | 178.4 | -74.2 | 174 | -177.7 | 173.8 | 2.2 | 112.7 | V157 Q158 L159 C163 G164 | V157-R161 VanDerWaalsContact CG1-CZ 3.49Å; V157-R161 WeakPolarHBondContact O-CB 3.39Å; V157-R161 VanDerWaalsContact O-CG 3.26Å; V157-R161 WeakPolarHBondContact O-CG 3.28Å; V157-R161 PolarHBondContact O-N 2.76Å; Q158-R161 PolarHBondContact O-N 2.77Å; L159-R161 VanDerWaalsContact C-N 3.31Å; L159-R161 PolarHBondContact O-N 3.46Å; R161-C163 PolarHBondContact O-N 3.44Å; R161-G164 PolarHBondContact O-N 2.93Å |
| 162 | S | 93.6 | Very high | 94.6 | Very high | 89 Ų | 89 | 59.8 Ų | 59.8 | 62% | 0.622 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -70.4 | -18.3 | 179.9 | 75.3 | 0 | 0 | 0 | 0 | 113.5 | Q158 L159 I160 G164 | Q158-S162 WeakPolarHBondContact O-CB 3.44Å; Q158-S162 PolarHBondContact O-N 3.49Å; L159-S162 PolarHBondContact O-N 3.32Å; L159-S162 VanDerWaalsContact O-N 3.1Å; L159-S162 PolarHBondContact O-OG 2.85Å; I160-S162 VanDerWaalsContact C-N 3.32Å; I160-S162 PolarHBondContact O-N 2.63Å; S162-G164 PolarHBondContact O-N 3.4Å |
| 163 | C | 91.5 | Very high | 94.1 | Very high | 18 Ų | 18 | 61.4 Ų | 61.4 | 12% | 0.122 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -10.2 | 179.8 | -58.3 | 0 | 0 | 0 | 0 | 113.7 | N144 L159 I160 R161 N165 T166 L167 | N144-C163 WeakPolarHBondContact ND2-CB 3.47Å; N144-C163 PolarHBondContact ND2-SG 2.9Å; L159-C163 PolarHBondContact O-N 2.84Å; L159-C163 PolarHBondContact O-SG 3.28Å; I160-C163 WeakPolarHBondContact O-CB 3.22Å; I160-C163 PolarHBondContact O-N 3.24Å; R161-C163 PolarHBondContact O-N 3.44Å; C163-N165 PolarHBondContact O-N 3.47Å; C163-T166 WeakPolarHBondContact CB-O 3.42Å; C163-T166 VanDerWaalsContact O-O 3.11Å; C163-L167 HydrophobicContact CB-CD1 3.81Å; C163-L167 VanDerWaalsContact SG-CD1 3.55Å |
| 164 | G | 92.1 | Very high | 93.2 | Very high | 37 Ų | 37 | 59.1 Ų | 59.1 | 38% | 0.381 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | -120.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K91 F97 R161 S162 | K91-G164 WeakPolarHBondContact CE-O 3.33Å; F97-G164 WeakPolarHBondContact CZ-O 3.39Å; R161-G164 PolarHBondContact O-N 2.93Å; S162-G164 PolarHBondContact O-N 3.4Å |
| 165 | N | 95.3 | Very high | 92.2 | Very high | 58 Ų | 58 | 54.7 Ų | 54.7 | 31% | 0.31 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -14.1 | -173.6 | -67.2 | -11.4 | 0 | 0 | 0 | 114 | E90 K91 E93 C163 | E90-N165 WeakPolarHBondContact CA-O 3.33Å; K91-N165 HydrophobicContact CG-CB 4.36Å; K91-N165 PolarHBondContact N-O 2.85Å; K91-N165 WeakPolarHBondContact O-CB 3.25Å; E93-N165 WeakPolarHBondContact CG-ND2 3.5Å; C163-N165 PolarHBondContact O-N 3.47Å |
| 166 | T | 95.3 | Very high | 91.2 | Very high | 86 Ų | 86 | 53.8 Ų | 53.8 | 53% | 0.528 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 121.4 | -177.5 | 52.8 | 0 | 0 | 0 | 0 | 110.2 | L89 E90 C163 | L89-T166 WeakPolarHBondContact O-CA 3.33Å; E90-T166 HydrophobicContact CG-CG2 4.49Å; C163-T166 WeakPolarHBondContact CB-O 3.42Å; C163-T166 VanDerWaalsContact O-O 3.11Å |
| 167 | L | 96.6 | Very high | 90.4 | Very high | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 117.8 | -175.8 | 179.4 | 71.5 | 0 | 0 | 0 | 110 | L89 F97 F99 V143 I160 C163 L169 | L89-L167 HydrophobicContact CB-CB 4.28Å; L89-L167 HydrophobicContact CD1-CD2 4.19Å; L89-L167 HydrophobicContact CD1-CG 4.36Å; L89-L167 PolarHBondContact N-O 3.41Å; L89-L167 PolarHBondContact O-N 3.06Å; F97-L167 HydrophobicContact CD2-CD2 4.1Å; F97-L167 HydrophobicContact CE1-CB 3.8Å; F97-L167 HydrophobicContact CE2-CB 4.09Å; F97-L167 HydrophobicContact CE2-CD2 4.05Å; F97-L167 HydrophobicContact CG-CD2 4.4Å; F97-L167 HydrophobicContact CZ-CB 3.55Å; F97-L167 HydrophobicContact CZ-CD2 4.29Å; F99-L167 HydrophobicContact CE1-CD2 4Å; F99-L167 HydrophobicContact CZ-CD2 3.9Å; V143-L167 HydrophobicContact CG1-CD1 3.61Å; I160-L167 HydrophobicContact CB-CD1 4.48Å; I160-L167 HydrophobicContact CG1-CD1 4.32Å; I160-L167 HydrophobicContact CG2-CD1 4.31Å; I160-L167 HydrophobicContact CG2-CD2 3.85Å; C163-L167 HydrophobicContact CB-CD1 3.81Å; C163-L167 VanDerWaalsContact SG-CD1 3.55Å; L167-L169 HydrophobicContact CD1-CD2 4.03Å; L167-L169 HydrophobicContact CD2-CD1 4.14Å; L167-L169 HydrophobicContact CD2-CD2 3.99Å; L167-L169 HydrophobicContact CD2-CG 4.04Å; L167-L169 HydrophobicContact CG-CD2 3.87Å; L167-L169 HydrophobicContact CG-CG 3.99Å |
| 168 | R | 96.4 | Very high | 89.7 | Confident | 72 Ų | 72 | 58.8 Ų | 58.8 | 27% | 0.272 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 110.7 | 173.9 | 177.3 | 170 | 177.4 | -88.2 | -18.3 | 108.9 | V86 N88 N144 E145 E170 | V86-R168 HydrophobicContact CG1-CG 3.89Å; N88-R168 WeakPolarHBondContact OD1-CG 3.45Å; N144-R168 PolarHBondContact N-O 3.14Å; N144-R168 PolarHBondContact OD1-N 2.92Å; E145-R168 VanDerWaalsContact CG-NH1 3.26Å; E145-R168 IonicContact OE1-NH1 2.74Å; R168-E170 IonicContact CZ-OE1 2.75Å; R168-E170 IonicContact NH1-OE1 3.5Å; R168-E170 IonicContact NH2-OE1 2.75Å; R168-E170 PolarHBondContact NH2-OE1 3.34Å |
| 169 | L | 96.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 135.8 | 175.2 | -60.8 | -178.3 | 0 | 0 | 0 | 109.9 | V86 V87 L89 F99 L134 I140 S142 V143 L167 T171 | V86-L169 CarbonylContact C-O 3.56Å; V86-L169 WeakPolarHBondContact CA-O 3.19Å; V87-L169 HydrophobicContact CB-CB 4.5Å; V87-L169 PolarHBondContact N-O 2.97Å; V87-L169 PolarHBondContact O-N 3.5Å; L89-L169 HydrophobicContact CD1-CB 4.41Å; L89-L169 HydrophobicContact CD1-CD1 3.69Å; L89-L169 HydrophobicContact CD1-CG 3.8Å; F99-L169 HydrophobicContact CZ-CD1 4.19Å; L134-L169 HydrophobicContact CD1-CD1 4.28Å; L134-L169 HydrophobicContact CD2-CD1 4.43Å; I140-L169 HydrophobicContact CG2-CD2 4.35Å; S142-L169 WeakPolarHBondContact O-CA 3.36Å; V143-L169 HydrophobicContact CB-CD2 4.25Å; V143-L169 HydrophobicContact CG1-CD2 4.14Å; V143-L169 HydrophobicContact CG2-CD2 3.76Å; L167-L169 HydrophobicContact CD1-CD2 4.03Å; L167-L169 HydrophobicContact CD2-CD1 4.14Å; L167-L169 HydrophobicContact CD2-CD2 3.99Å; L167-L169 HydrophobicContact CD2-CG 4.04Å; L167-L169 HydrophobicContact CG-CD2 3.87Å; L167-L169 HydrophobicContact CG-CG 3.99Å; L169-T171 HydrophobicContact CB-CG2 4.15Å |
| 170 | E | 95.1 | Very high | 88.5 | Confident | 42 Ų | 42 | 58.5 Ų | 58.5 | 20% | 0.196 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 117.4 | 160.9 | -56.2 | 179.9 | 165.4 | 0 | 0 | 108.1 | K85 V86 A141 S142 R168 | K85-E170 CarbonylContact O-C 3.55Å; K85-E170 WeakPolarHBondContact O-CA 3.4Å; V86-E170 HydrophobicContact CG2-CG 4.2Å; A141-E170 WeakPolarHBondContact CB-O 3.29Å; A141-E170 PolarHBondContact N-O 3.36Å; S142-E170 PolarHBondContact N-O 2.99Å; S142-E170 PolarHBondContact O-N 3.04Å; S142-E170 WeakPolarHBondContact OG-CB 3.34Å; S142-E170 WeakPolarHBondContact OG-CG 3.28Å; S142-E170 PolarHBondContact OG-OE2 3.24Å; R168-E170 IonicContact CZ-OE1 2.75Å; R168-E170 IonicContact NH1-OE1 3.5Å; R168-E170 IonicContact NH2-OE1 2.75Å; R168-E170 PolarHBondContact NH2-OE1 3.34Å |
| 171 | T | 93.6 | Very high | 88 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 151.7 | -178.3 | 65.7 | 0 | 0 | 0 | 0 | 111.8 | R84 K85 L134 D138 T139 L169 | R84-T171 CarbonylContact C-O 3.54Å; R84-T171 WeakPolarHBondContact CA-O 3.46Å; K85-T171 PolarHBondContact N-O 2.91Å; K85-T171 PolarHBondContact O-N 3.21Å; L134-T171 HydrophobicContact CD1-CG2 3.89Å; D138-T171 HydrophobicContact CB-CG2 4.15Å; T139-T171 CarbonylContact O-C 3.53Å; T139-T171 WeakPolarHBondContact O-CA 3.26Å; L169-T171 HydrophobicContact CB-CG2 4.15Å |
| 172 | V | 90.8 | Very high | 87.8 | Confident | 21 Ų | 21 | 59.1 Ų | 59.1 | 13% | 0.127 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 119.7 | 169.7 | 174.4 | 0 | 0 | 0 | 0 | 107.1 | P82 R84 T139 S174 | P82-V172 HydrophobicContact CB-CG1 3.4Å; R84-V172 HydrophobicContact CG-CG2 3.62Å; T139-V172 PolarHBondContact N-O 2.86Å; T139-V172 PolarHBondContact O-N 3.44Å; V172-S174 PolarHBondContact O-N 3.32Å |
| 173 | Y | 84.5 | Confident | 87.5 | Confident | 135 Ų | 135 | 59.3 Ų | 59.3 | 53% | 0.529 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 115.8 | 169.3 | -172.7 | -98.9 | 0 | 0 | 0 | 108.5 | D138 | D138-Y173 WeakPolarHBondContact OD1-CD2 3.46Å |
| 174 | S | 73.8 | Confident | 87.3 | Confident | 30 Ų | 30 | 61.1 Ų | 61.1 | 21% | 0.21 | 32% | 0.32 | C | S | . | . | trans | -142.3 | 139.5 | 179.8 | 67.2 | 0 | 0 | 0 | 0 | 112.5 | T139 V172 S176 | T139-S174 PolarHBondContact OG1-OG 3.1Å; V172-S174 PolarHBondContact O-N 3.32Å; S174-S176 PolarHBondContact O-N 2.89Å; S174-S176 PolarHBondContact OG-OG 2.9Å | ||
| 175 | D | 75.8 | Confident | 87.3 | Confident | 77 Ų | 77 | 66.8 Ų | 66.8 | 41% | 0.412 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -84.9 | 5.5 | 173.8 | -75.3 | 4.5 | 0 | 0 | 0 | 112.2 | I177 R178 K179 | D175-I177 PolarHBondContact O-N 2.84Å; D175-R178 PolarHBondContact O-N 3.44Å; D175-R178 IonicContact OD1-CZ 3.66Å; D175-R178 IonicContact OD1-NH1 2.67Å; D175-R178 PolarHBondContact OD1-NH1 3.28Å; D175-R178 IonicContact OD1-NH2 3.99Å; D175-R178 PolarHBondContact OD1-NH2 2.89Å; D175-R178 IonicContact OD2-CZ 3.56Å; D175-R178 IonicContact OD2-NH1 3.44Å; D175-R178 PolarHBondContact OD2-NH1 2.85Å; D175-R178 IonicContact OD2-NH2 3.63Å; D175-K179 VanDerWaalsContact O-CB 3.3Å; D175-K179 WeakPolarHBondContact O-CB 3.49Å; D175-K179 PolarHBondContact O-N 2.79Å |
| 176 | S | 73.6 | Confident | 87.3 | Confident | 53 Ų | 53 | 68.3 Ų | 68.3 | 37% | 0.371 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.4 | -41.3 | -172.8 | 54.9 | 0 | 0 | 0 | 0 | 112.2 | S174 K179 A180 | S174-S176 PolarHBondContact O-N 2.89Å; S174-S176 PolarHBondContact OG-OG 2.9Å; S176-K179 WeakPolarHBondContact O-CB 3.35Å; S176-K179 PolarHBondContact O-N 3.15Å; S176-A180 WeakPolarHBondContact O-CB 3.28Å; S176-A180 PolarHBondContact O-N 3.36Å |
| 177 | I | 79.1 | Confident | 87.3 | Confident | 16 Ų | 16 | 70.7 Ų | 70.7 | 8% | 0.082 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.1 | -48 | 178.6 | -65.5 | 131.8 | 0 | 0 | 0 | 111 | Y104 F119 D175 K179 A180 E181 | Y104-I177 HydrophobicContact CD2-CG2 4.11Å; Y104-I177 HydrophobicContact CE2-CG2 4.07Å; F119-I177 HydrophobicContact CB-CD1 3.45Å; F119-I177 VanDerWaalsContact CB-CD1 3.45Å; F119-I177 HydrophobicContact CD1-CD1 3.83Å; F119-I177 HydrophobicContact CD1-CG1 4.14Å; F119-I177 HydrophobicContact CD1-CG2 4.38Å; F119-I177 HydrophobicContact CD2-CD1 4.22Å; F119-I177 HydrophobicContact CE1-CG2 4.21Å; F119-I177 HydrophobicContact CE2-CG2 4.32Å; F119-I177 HydrophobicContact CG-CD1 3.54Å; F119-I177 HydrophobicContact CG-CG1 4.29Å; F119-I177 HydrophobicContact CZ-CG2 4.16Å; D175-I177 PolarHBondContact O-N 2.84Å; I177-K179 PolarHBondContact O-N 3.32Å; I177-A180 PolarHBondContact O-N 2.76Å; I177-A180 VanDerWaalsContact O-N 3.14Å; I177-E181 PolarHBondContact O-N 3.45Å |
| 178 | R | 81.5 | Confident | 87.2 | Confident | 117 Ų | 117 | 77.6 Ų | 77.6 | 44% | 0.442 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.6 | -38.8 | 177.4 | -161.6 | -166.3 | -39.9 | 112.5 | 9.5 | 111 | D175 L182 | D175-R178 PolarHBondContact O-N 3.44Å; D175-R178 IonicContact OD1-CZ 3.66Å; D175-R178 IonicContact OD1-NH1 2.67Å; D175-R178 PolarHBondContact OD1-NH1 3.28Å; D175-R178 IonicContact OD1-NH2 3.99Å; D175-R178 PolarHBondContact OD1-NH2 2.89Å; D175-R178 IonicContact OD2-CZ 3.56Å; D175-R178 IonicContact OD2-NH1 3.44Å; D175-R178 PolarHBondContact OD2-NH1 2.85Å; D175-R178 IonicContact OD2-NH2 3.63Å; R178-L182 HydrophobicContact CG-CD1 4.35Å; R178-L182 WeakPolarHBondContact O-CB 3.45Å; R178-L182 WeakPolarHBondContact O-CG 2.98Å; R178-L182 PolarHBondContact O-N 3.2Å |
| 179 | K | 83.2 | Confident | 87.3 | Confident | 129 Ų | 129 | 78.7 Ų | 78.7 | 56% | 0.561 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -63.4 | -47.8 | 174.5 | -178 | -179.9 | 170.8 | -174.1 | 0 | 111.1 | D175 S176 I177 E181 L182 E183 | D175-K179 VanDerWaalsContact O-CB 3.3Å; D175-K179 WeakPolarHBondContact O-CB 3.49Å; D175-K179 PolarHBondContact O-N 2.79Å; S176-K179 WeakPolarHBondContact O-CB 3.35Å; S176-K179 PolarHBondContact O-N 3.15Å; I177-K179 PolarHBondContact O-N 3.32Å; K179-E181 PolarHBondContact O-N 3.14Å; K179-L182 PolarHBondContact O-N 2.94Å; K179-E183 WeakPolarHBondContact CE-OE1 3.3Å; K179-E183 HydrophobicContact CG-CG 4.48Å; K179-E183 IonicContact NZ-OE1 2.78Å; K179-E183 WeakPolarHBondContact O-CB 3.47Å; K179-E183 WeakPolarHBondContact O-CG 3.48Å; K179-E183 PolarHBondContact O-N 2.95Å |
| 180 | A | 82.1 | Confident | 87.4 | Confident | 33 Ų | 33 | 84.2 Ų | 84.2 | 27% | 0.273 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61 | -43 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | L106 S176 I177 E183 A184 | L106-A180 HydrophobicContact CD2-CB 4Å; S176-A180 WeakPolarHBondContact O-CB 3.28Å; S176-A180 PolarHBondContact O-N 3.36Å; I177-A180 PolarHBondContact O-N 2.76Å; I177-A180 VanDerWaalsContact O-N 3.14Å; A180-E183 PolarHBondContact O-N 3.43Å; A180-A184 WeakPolarHBondContact O-CB 3.48Å; A180-A184 PolarHBondContact O-N 3.28Å |
| 181 | E | 84.4 | Confident | 87.5 | Confident | 122 Ų | 122 | 87.7 Ų | 87.7 | 57% | 0.57 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -60.1 | -47 | 175.1 | -173.3 | -167.7 | 159.1 | 0 | 0 | 111.5 | I177 K179 E183 A184 R185 | I177-E181 PolarHBondContact O-N 3.45Å; K179-E181 PolarHBondContact O-N 3.14Å; E181-E183 VanDerWaalsContact C-N 3.35Å; E181-E183 PolarHBondContact O-N 3.24Å; E181-A184 PolarHBondContact O-N 3.18Å; E181-R185 WeakPolarHBondContact O-CB 3.36Å; E181-R185 PolarHBondContact O-N 3.01Å |
| 182 | L | 88.8 | Confident | 87.7 | Confident | 105 Ų | 105 | 89.3 Ų | 89.3 | 55% | 0.55 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -65.7 | -37.4 | 178.2 | -73.8 | 170.4 | 0 | 0 | 0 | 112.2 | R178 K179 R185 L186 | R178-L182 HydrophobicContact CG-CD1 4.35Å; R178-L182 WeakPolarHBondContact O-CB 3.45Å; R178-L182 WeakPolarHBondContact O-CG 2.98Å; R178-L182 PolarHBondContact O-N 3.2Å; K179-L182 PolarHBondContact O-N 2.94Å; L182-R185 PolarHBondContact O-N 3.4Å; L182-L186 VanDerWaalsContact O-CB 3.28Å; L182-L186 WeakPolarHBondContact O-CB 3.47Å; L182-L186 PolarHBondContact O-N 3.26Å |
| 183 | E | 87.9 | Confident | 88.1 | Confident | 93 Ų | 93 | 93.5 Ų | 93.5 | 44% | 0.435 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.6 | -44.6 | 175.4 | -77.8 | 176.5 | -179.5 | 0 | 0 | 111.5 | K179 A180 E181 R185 L186 Q187 | K179-E183 WeakPolarHBondContact CE-OE1 3.3Å; K179-E183 HydrophobicContact CG-CG 4.48Å; K179-E183 IonicContact NZ-OE1 2.78Å; K179-E183 WeakPolarHBondContact O-CB 3.47Å; K179-E183 WeakPolarHBondContact O-CG 3.48Å; K179-E183 PolarHBondContact O-N 2.95Å; A180-E183 PolarHBondContact O-N 3.43Å; E181-E183 VanDerWaalsContact C-N 3.35Å; E181-E183 PolarHBondContact O-N 3.24Å; E183-R185 VanDerWaalsContact C-N 3.35Å; E183-R185 PolarHBondContact O-N 2.96Å; E183-L186 WeakPolarHBondContact O-CB 3.37Å; E183-L186 PolarHBondContact O-N 3.05Å; E183-Q187 WeakPolarHBondContact O-CG 3.42Å; E183-Q187 PolarHBondContact O-N 3.15Å |
| 184 | A | 87.6 | Confident | 88.7 | Confident | 55 Ų | 55 | 93 Ų | 93 | 46% | 0.455 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.4 | -44.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | A180 E181 L186 Q187 Y188 | A180-A184 WeakPolarHBondContact O-CB 3.48Å; A180-A184 PolarHBondContact O-N 3.28Å; E181-A184 PolarHBondContact O-N 3.18Å; A184-L186 VanDerWaalsContact C-N 3.32Å; A184-L186 PolarHBondContact O-N 3.46Å; A184-Q187 PolarHBondContact O-N 3.46Å; A184-Y188 PolarHBondContact O-N 3.46Å |
| 185 | R | 91.6 | Very high | 89.9 | Confident | 157 Ų | 157 | 95.8 Ų | 95.8 | 59% | 0.592 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -63.6 | -38.2 | 176.3 | -171.4 | 172.6 | -176.9 | 156.8 | 0.9 | 112.3 | E181 L182 E183 Y188 L189 | E181-R185 WeakPolarHBondContact O-CB 3.36Å; E181-R185 PolarHBondContact O-N 3.01Å; L182-R185 PolarHBondContact O-N 3.4Å; E183-R185 VanDerWaalsContact C-N 3.35Å; E183-R185 PolarHBondContact O-N 2.96Å; R185-Y188 PolarHBondContact O-N 3.48Å; R185-L189 HydrophobicContact CG-CD1 4.3Å; R185-L189 WeakPolarHBondContact O-CB 3.49Å; R185-L189 VanDerWaalsContact O-CG 3.3Å; R185-L189 WeakPolarHBondContact O-CG 3.43Å; R185-L189 PolarHBondContact O-N 2.98Å |
| 186 | L | 95.4 | Very high | 91 | Very high | 90 Ų | 90 | 97.3 Ų | 97.3 | 47% | 0.471 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 175.5 | 176.1 | 63.6 | 0 | 0 | 0 | 111.3 | L182 E183 A184 L189 K190 | L182-L186 VanDerWaalsContact O-CB 3.28Å; L182-L186 WeakPolarHBondContact O-CB 3.47Å; L182-L186 PolarHBondContact O-N 3.26Å; E183-L186 WeakPolarHBondContact O-CB 3.37Å; E183-L186 PolarHBondContact O-N 3.05Å; A184-L186 VanDerWaalsContact C-N 3.32Å; A184-L186 PolarHBondContact O-N 3.46Å; L186-L189 PolarHBondContact O-N 3.44Å; L186-K190 HydrophobicContact CD1-CG 4.49Å; L186-K190 HydrophobicContact CG-CD 4.47Å; L186-K190 WeakPolarHBondContact O-CG 3.43Å; L186-K190 PolarHBondContact O-N 3.06Å |
| 187 | Q | 94.9 | Very high | 92.1 | Very high | 136 Ų | 136 | 101.9 Ų | 101.9 | 64% | 0.636 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -62.1 | -46.2 | 176.7 | -71.2 | 175.4 | 3.8 | 0 | 0 | 111.4 | E183 A184 L189 K190 Q191 | E183-Q187 WeakPolarHBondContact O-CG 3.42Å; E183-Q187 PolarHBondContact O-N 3.15Å; A184-Q187 PolarHBondContact O-N 3.46Å; Q187-L189 PolarHBondContact O-N 2.84Å; Q187-K190 WeakPolarHBondContact O-CB 3.45Å; Q187-K190 PolarHBondContact O-N 3.42Å; Q187-Q191 PolarHBondContact O-N 3.25Å |
| 188 | Y | 96 | Very high | 93 | Very high | 147 Ų | 147 | 106.5 Ų | 106.5 | 58% | 0.576 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -56 | -50.2 | 174.6 | 173.5 | -100 | 0 | 0 | 0 | 111.8 | A184 R185 K190 Q191 T192 | A184-Y188 PolarHBondContact O-N 3.46Å; R185-Y188 PolarHBondContact O-N 3.48Å; Y188-K190 VanDerWaalsContact C-N 3.31Å; Y188-K190 PolarHBondContact O-N 3.33Å; Y188-Q191 WeakPolarHBondContact O-CB 3.4Å; Y188-Q191 PolarHBondContact O-N 2.92Å; Y188-Q191 VanDerWaalsContact O-N 3.12Å; Y188-T192 PolarHBondContact O-N 3.12Å; Y188-T192 PolarHBondContact O-OG1 3.11Å; Y188-T192 VanDerWaalsContact O-OG1 3.12Å |
| 189 | L | 98.2 | Very high | 93.8 | Very high | 95 Ų | 95 | 105.6 Ų | 105.6 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.8 | -37.4 | 179.6 | -73 | 173.1 | 0 | 0 | 0 | 112.5 | R185 L186 Q187 L193 | R185-L189 HydrophobicContact CG-CD1 4.3Å; R185-L189 WeakPolarHBondContact O-CB 3.49Å; R185-L189 VanDerWaalsContact O-CG 3.3Å; R185-L189 WeakPolarHBondContact O-CG 3.43Å; R185-L189 PolarHBondContact O-N 2.98Å; L186-L189 PolarHBondContact O-N 3.44Å; Q187-L189 PolarHBondContact O-N 2.84Å; L189-L193 VanDerWaalsContact O-CB 3.28Å; L189-L193 WeakPolarHBondContact O-CB 3.49Å; L189-L193 PolarHBondContact O-N 3.01Å |
| 190 | K | 97.3 | Very high | 94.5 | Very high | 116 Ų | 116 | 105.8 Ų | 105.8 | 50% | 0.504 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.7 | -46.2 | 173.3 | -77.8 | 177.9 | 176.5 | -178.7 | 0 | 110.7 | L186 Q187 Y188 L193 H194 | L186-K190 HydrophobicContact CD1-CG 4.49Å; L186-K190 HydrophobicContact CG-CD 4.47Å; L186-K190 WeakPolarHBondContact O-CG 3.43Å; L186-K190 PolarHBondContact O-N 3.06Å; Q187-K190 WeakPolarHBondContact O-CB 3.45Å; Q187-K190 PolarHBondContact O-N 3.42Å; Y188-K190 VanDerWaalsContact C-N 3.31Å; Y188-K190 PolarHBondContact O-N 3.33Å; K190-L193 WeakPolarHBondContact O-CB 3.28Å; K190-L193 PolarHBondContact O-N 2.9Å; K190-H194 PolarHBondContact O-N 2.96Å; K190-H194 VanDerWaalsContact O-N 3.11Å; K190-H194 PolarHBondContact O-ND1 3.23Å |
| 191 | Q | 97.9 | Very high | 95.2 | Very high | 114 Ų | 114 | 111.9 Ų | 111.9 | 53% | 0.533 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.9 | -51.3 | 178.1 | -179.3 | -179.8 | -4.7 | 0 | 0 | 111.3 | Q187 Y188 L193 H194 E195 | Q187-Q191 PolarHBondContact O-N 3.25Å; Y188-Q191 WeakPolarHBondContact O-CB 3.4Å; Y188-Q191 PolarHBondContact O-N 2.92Å; Y188-Q191 VanDerWaalsContact O-N 3.12Å; Q191-L193 PolarHBondContact O-N 3.12Å; Q191-H194 PolarHBondContact O-N 3.36Å; Q191-E195 HydrophobicContact CG-CG 4.5Å; Q191-E195 WeakPolarHBondContact CG-OE1 3.42Å; Q191-E195 PolarHBondContact NE2-OE1 2.75Å; Q191-E195 WeakPolarHBondContact O-CG 3.2Å; Q191-E195 PolarHBondContact O-N 3.45Å |
| 192 | T | 98.3 | Very high | 95.7 | Very high | 34 Ų | 34 | 109.1 Ų | 109.1 | 21% | 0.209 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -58.4 | -37.9 | 178.1 | -54.4 | 0 | 0 | 0 | 0 | 111.8 | Y188 E195 K196 | Y188-T192 PolarHBondContact O-N 3.12Å; Y188-T192 PolarHBondContact O-OG1 3.11Å; Y188-T192 VanDerWaalsContact O-OG1 3.12Å; T192-E195 PolarHBondContact O-N 2.73Å; T192-K196 HydrophobicContact CG2-CG 4.31Å; T192-K196 WeakPolarHBondContact O-CB 3.39Å; T192-K196 VanDerWaalsContact O-CG 3.26Å; T192-K196 WeakPolarHBondContact O-CG 3.37Å; T192-K196 PolarHBondContact O-N 2.75Å |
| 193 | L | 98.3 | Very high | 96 | Very high | 109 Ų | 109 | 109.1 Ų | 109.1 | 57% | 0.571 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.3 | -44.2 | 175.5 | -179.4 | 67.2 | 0 | 0 | 0 | 111.5 | L189 K190 Q191 K196 W197 | L189-L193 VanDerWaalsContact O-CB 3.28Å; L189-L193 WeakPolarHBondContact O-CB 3.49Å; L189-L193 PolarHBondContact O-N 3.01Å; K190-L193 WeakPolarHBondContact O-CB 3.28Å; K190-L193 PolarHBondContact O-N 2.9Å; Q191-L193 PolarHBondContact O-N 3.12Å; L193-K196 PolarHBondContact O-N 2.89Å; L193-W197 WeakPolarHBondContact O-CB 3.46Å; L193-W197 PolarHBondContact O-N 2.98Å |
| 194 | H | 98 | Very high | 96.3 | Very high | 126 Ų | 126 | 106.7 Ų | 106.7 | 58% | 0.583 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.6 | -46.5 | 177.9 | -73.6 | 79.4 | 0 | 0 | 0 | 111.2 | K190 Q191 K196 W197 D198 | K190-H194 PolarHBondContact O-N 2.96Å; K190-H194 VanDerWaalsContact O-N 3.11Å; K190-H194 PolarHBondContact O-ND1 3.23Å; Q191-H194 PolarHBondContact O-N 3.36Å; H194-K196 VanDerWaalsContact C-N 3.32Å; H194-K196 PolarHBondContact O-N 3.37Å; H194-W197 WeakPolarHBondContact O-CA 3.46Å; H194-W197 VanDerWaalsContact O-CB 3.29Å; H194-W197 WeakPolarHBondContact O-CB 3.26Å; H194-W197 PolarHBondContact O-N 2.93Å; H194-D198 PolarHBondContact O-N 3.26Å |
| 195 | E | 98 | Very high | 96.6 | Very high | 88 Ų | 88 | 106.7 Ų | 106.7 | 41% | 0.411 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -56.7 | -45.7 | 176.5 | -69.7 | 168.9 | -179.1 | 0 | 0 | 111.5 | Q191 T192 W197 D198 E199 | Q191-E195 HydrophobicContact CG-CG 4.5Å; Q191-E195 WeakPolarHBondContact CG-OE1 3.42Å; Q191-E195 PolarHBondContact NE2-OE1 2.75Å; Q191-E195 WeakPolarHBondContact O-CG 3.2Å; Q191-E195 PolarHBondContact O-N 3.45Å; T192-E195 PolarHBondContact O-N 2.73Å; E195-W197 VanDerWaalsContact C-N 3.3Å; E195-W197 PolarHBondContact O-N 3.36Å; E195-D198 PolarHBondContact O-N 3.31Å; E195-E199 WeakPolarHBondContact O-CG 3.3Å; E195-E199 PolarHBondContact O-N 3.34Å |
| 196 | K | 98.3 | Very high | 96.7 | Very high | 108 Ų | 108 | 103.9 Ų | 103.9 | 47% | 0.47 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.7 | -30.8 | 176.8 | -68.5 | -65.8 | 168.2 | -145.9 | 0 | 113.1 | T192 L193 H194 E199 Y200 | T192-K196 HydrophobicContact CG2-CG 4.31Å; T192-K196 WeakPolarHBondContact O-CB 3.39Å; T192-K196 VanDerWaalsContact O-CG 3.26Å; T192-K196 WeakPolarHBondContact O-CG 3.37Å; T192-K196 PolarHBondContact O-N 2.75Å; L193-K196 PolarHBondContact O-N 2.89Å; H194-K196 VanDerWaalsContact C-N 3.32Å; H194-K196 PolarHBondContact O-N 3.37Å; K196-E199 WeakPolarHBondContact CD-OE2 3.29Å; K196-E199 IonicContact NZ-OE1 3.24Å; K196-E199 PolarHBondContact NZ-OE1 2.94Å; K196-E199 IonicContact NZ-OE2 3.55Å; K196-E199 PolarHBondContact NZ-OE2 3.43Å; K196-Y200 WeakPolarHBondContact O-CB 3.37Å; K196-Y200 PolarHBondContact O-N 3.04Å |
| 197 | W | 98.2 | Very high | 96.4 | Very high | 149 Ų | 149 | 104.8 Ų | 104.8 | 56% | 0.564 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66 | -41.5 | 173.5 | -127 | 96.7 | 0 | 0 | 0 | 111.8 | L193 H194 E195 Y200 R201 | L193-W197 WeakPolarHBondContact O-CB 3.46Å; L193-W197 PolarHBondContact O-N 2.98Å; H194-W197 WeakPolarHBondContact O-CA 3.46Å; H194-W197 VanDerWaalsContact O-CB 3.29Å; H194-W197 WeakPolarHBondContact O-CB 3.26Å; H194-W197 PolarHBondContact O-N 2.93Å; E195-W197 VanDerWaalsContact C-N 3.3Å; E195-W197 PolarHBondContact O-N 3.36Å; W197-Y200 PolarHBondContact O-N 3.47Å; W197-R201 WeakPolarHBondContact O-CB 3.4Å; W197-R201 PolarHBondContact O-N 2.99Å |
| 198 | D | 97.8 | Very high | 96.2 | Very high | 113 Ų | 113 | 103.4 Ų | 103.4 | 60% | 0.604 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -67.6 | -42 | 177.3 | -69 | -28.2 | 0 | 0 | 0 | 111.6 | H194 E195 Y200 R201 S202 | H194-D198 PolarHBondContact O-N 3.26Å; E195-D198 PolarHBondContact O-N 3.31Å; D198-Y200 PolarHBondContact O-N 3.45Å; D198-R201 PolarHBondContact O-N 2.96Å; D198-S202 WeakPolarHBondContact O-CB 3.46Å; D198-S202 PolarHBondContact O-N 3.35Å |
| 199 | E | 97.8 | Very high | 95.8 | Very high | 98 Ų | 98 | 103 Ų | 103 | 46% | 0.458 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -56.8 | -49.2 | 171.2 | -74.6 | 176.8 | -151.8 | 0 | 0 | 111.3 | E195 K196 R201 S202 L203 | E195-E199 WeakPolarHBondContact O-CG 3.3Å; E195-E199 PolarHBondContact O-N 3.34Å; K196-E199 WeakPolarHBondContact CD-OE2 3.29Å; K196-E199 IonicContact NZ-OE1 3.24Å; K196-E199 PolarHBondContact NZ-OE1 2.94Å; K196-E199 IonicContact NZ-OE2 3.55Å; K196-E199 PolarHBondContact NZ-OE2 3.43Å; E199-R201 PolarHBondContact O-N 2.96Å; E199-S202 WeakPolarHBondContact O-CB 3.5Å; E199-S202 PolarHBondContact O-N 3.36Å; E199-L203 WeakPolarHBondContact O-CG 3.42Å; E199-L203 PolarHBondContact O-N 3.11Å |
| 200 | Y | 97.3 | Very high | 95.2 | Very high | 134 Ų | 134 | 103.6 Ų | 103.6 | 53% | 0.525 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60 | -46.2 | 178.2 | 170.1 | -105.9 | 0 | 0 | 0 | 111.9 | K196 W197 D198 S202 L203 M204 | K196-Y200 WeakPolarHBondContact O-CB 3.37Å; K196-Y200 PolarHBondContact O-N 3.04Å; W197-Y200 PolarHBondContact O-N 3.47Å; D198-Y200 PolarHBondContact O-N 3.45Å; Y200-S202 VanDerWaalsContact C-N 3.29Å; Y200-S202 PolarHBondContact O-N 2.95Å; Y200-L203 PolarHBondContact O-N 3.2Å; Y200-M204 HydrophobicContact CD1-CG 4.36Å; Y200-M204 HydrophobicContact CD2-CG 4.23Å; Y200-M204 HydrophobicContact CE1-CG 3.85Å; Y200-M204 HydrophobicContact CE2-CG 3.69Å; Y200-M204 HydrophobicContact CE2-SD 3.83Å; Y200-M204 VanDerWaalsContact CZ-CG 3.47Å; Y200-M204 WeakPolarHBondContact O-CG 3.49Å; Y200-M204 PolarHBondContact O-N 3.01Å; Y200-M204 PolarHBondContact OH-SD 3.1Å |
| 201 | R | 96.4 | Very high | 94.8 | Very high | 160 Ų | 160 | 103.2 Ų | 103.2 | 60% | 0.604 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -59.8 | -41.3 | 178.1 | -173 | 69.5 | 171.7 | 160 | 1.2 | 111.4 | W197 D198 E199 M204 V205 | W197-R201 WeakPolarHBondContact O-CB 3.4Å; W197-R201 PolarHBondContact O-N 2.99Å; D198-R201 PolarHBondContact O-N 2.96Å; E199-R201 PolarHBondContact O-N 2.96Å; R201-M204 PolarHBondContact O-N 3.34Å; R201-V205 WeakPolarHBondContact O-CG2 3.48Å; R201-V205 PolarHBondContact O-N 2.84Å |
| 202 | S | 95.9 | Very high | 94 | Very high | 64 Ų | 64 | 104.9 Ų | 104.9 | 45% | 0.448 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.2 | -47.2 | 176.3 | -173.8 | 0 | 0 | 0 | 0 | 111.8 | D198 E199 Y200 M204 V205 Q206 | D198-S202 WeakPolarHBondContact O-CB 3.46Å; D198-S202 PolarHBondContact O-N 3.35Å; E199-S202 WeakPolarHBondContact O-CB 3.5Å; E199-S202 PolarHBondContact O-N 3.36Å; Y200-S202 VanDerWaalsContact C-N 3.29Å; Y200-S202 PolarHBondContact O-N 2.95Å; S202-M204 VanDerWaalsContact C-N 3.31Å; S202-M204 PolarHBondContact O-N 2.94Å; S202-V205 PolarHBondContact O-N 3.43Å; S202-V205 VanDerWaalsContact O-N 3.15Å; S202-Q206 WeakPolarHBondContact O-CG 3.32Å; S202-Q206 PolarHBondContact O-N 3.45Å |
| 203 | L | 96 | Very high | 92.7 | Very high | 105 Ų | 105 | 106 Ų | 106 | 55% | 0.55 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.7 | -39.9 | 176.2 | -73.1 | 174.2 | 0 | 0 | 0 | 112.1 | E199 Y200 V205 Q206 E207 | E199-L203 WeakPolarHBondContact O-CG 3.42Å; E199-L203 PolarHBondContact O-N 3.11Å; Y200-L203 PolarHBondContact O-N 3.2Å; L203-V205 VanDerWaalsContact C-N 3.3Å; L203-V205 PolarHBondContact O-N 3.21Å; L203-Q206 PolarHBondContact O-N 3.21Å; L203-E207 WeakPolarHBondContact O-CB 3.39Å; L203-E207 PolarHBondContact O-N 3.27Å |
| 204 | M | 94 | Very high | 91 | Very high | 43 Ų | 43 | 106 Ų | 106 | 21% | 0.212 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -60.8 | -40.2 | 175.9 | -78.7 | -59.8 | -26.5 | 0 | 0 | 112.4 | Y200 R201 S202 E207 Q208 | Y200-M204 HydrophobicContact CD1-CG 4.36Å; Y200-M204 HydrophobicContact CD2-CG 4.23Å; Y200-M204 HydrophobicContact CE1-CG 3.85Å; Y200-M204 HydrophobicContact CE2-CG 3.69Å; Y200-M204 HydrophobicContact CE2-SD 3.83Å; Y200-M204 VanDerWaalsContact CZ-CG 3.47Å; Y200-M204 WeakPolarHBondContact O-CG 3.49Å; Y200-M204 PolarHBondContact O-N 3.01Å; Y200-M204 PolarHBondContact OH-SD 3.1Å; R201-M204 PolarHBondContact O-N 3.34Å; S202-M204 VanDerWaalsContact C-N 3.31Å; S202-M204 PolarHBondContact O-N 2.94Å; M204-E207 WeakPolarHBondContact CE-OE2 3.45Å; M204-Q208 WeakPolarHBondContact O-CG 3.48Å; M204-Q208 PolarHBondContact O-N 3.39Å |
| 205 | V | 93.1 | Very high | 89.2 | Confident | 54 Ų | 54 | 103.7 Ų | 103.7 | 33% | 0.327 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.8 | -41 | 175.9 | 172.2 | 0 | 0 | 0 | 0 | 110.7 | R201 S202 L203 Q208 R209 | R201-V205 WeakPolarHBondContact O-CG2 3.48Å; R201-V205 PolarHBondContact O-N 2.84Å; S202-V205 PolarHBondContact O-N 3.43Å; S202-V205 VanDerWaalsContact O-N 3.15Å; L203-V205 VanDerWaalsContact C-N 3.3Å; L203-V205 PolarHBondContact O-N 3.21Å; V205-Q208 PolarHBondContact O-N 3.26Å; V205-R209 VanDerWaalsContact O-CG 3.3Å; V205-R209 WeakPolarHBondContact O-CG 3.16Å; V205-R209 PolarHBondContact O-N 3.08Å |
| 206 | Q | 92.8 | Very high | 87.4 | Confident | 98 Ų | 98 | 106.9 Ų | 106.9 | 46% | 0.458 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.7 | -43.9 | 175.6 | -70 | -179.6 | -0.3 | 0 | 0 | 111.9 | S202 L203 Q208 R209 L210 | S202-Q206 WeakPolarHBondContact O-CG 3.32Å; S202-Q206 PolarHBondContact O-N 3.45Å; L203-Q206 PolarHBondContact O-N 3.21Å; Q206-Q208 PolarHBondContact O-N 2.94Å; Q206-R209 WeakPolarHBondContact O-CB 3.41Å; Q206-R209 PolarHBondContact O-N 2.89Å; Q206-L210 WeakPolarHBondContact O-CG 3.46Å; Q206-L210 PolarHBondContact O-N 3.39Å |
| 207 | E | 90.8 | Very high | 85.4 | Confident | 109 Ų | 109 | 106.3 Ų | 106.3 | 51% | 0.509 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -57.2 | -49.3 | 174.7 | -177.9 | -178.1 | -158.1 | 0 | 0 | 110.7 | L203 M204 R209 L210 V211 | L203-E207 WeakPolarHBondContact O-CB 3.39Å; L203-E207 PolarHBondContact O-N 3.27Å; M204-E207 WeakPolarHBondContact CE-OE2 3.45Å; E207-R209 VanDerWaalsContact C-N 3.32Å; E207-R209 PolarHBondContact O-N 2.94Å; E207-L210 PolarHBondContact O-N 3.2Å; E207-V211 HydrophobicContact CG-CG2 4.22Å; E207-V211 WeakPolarHBondContact O-CB 3.4Å; E207-V211 VanDerWaalsContact O-CG2 3.27Å; E207-V211 WeakPolarHBondContact O-CG2 3.49Å; E207-V211 PolarHBondContact O-N 3.01Å |
| 208 | Q | 90 | Very high | 83 | Confident | 107 Ų | 107 | 104.3 Ų | 104.3 | 50% | 0.5 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.5 | -41.5 | 177.2 | -73.2 | 176.1 | 10 | 0 | 0 | 112.3 | M204 V205 Q206 V211 H212 | M204-Q208 WeakPolarHBondContact O-CG 3.48Å; M204-Q208 PolarHBondContact O-N 3.39Å; V205-Q208 PolarHBondContact O-N 3.26Å; Q206-Q208 PolarHBondContact O-N 2.94Å; Q208-V211 PolarHBondContact O-N 3.47Å; Q208-H212 WeakPolarHBondContact O-CB 3.48Å; Q208-H212 PolarHBondContact O-CD2 3.49Å; Q208-H212 PolarHBondContact O-N 3.34Å |
| 209 | R | 86.7 | Confident | 81 | Confident | 140 Ų | 140 | 102.8 Ų | 102.8 | 53% | 0.528 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.7 | -47.5 | 175.4 | -72.5 | 171.6 | -176.3 | -169.5 | 2.7 | 111.2 | V205 Q206 E207 H212 G213 I214 | V205-R209 VanDerWaalsContact O-CG 3.3Å; V205-R209 WeakPolarHBondContact O-CG 3.16Å; V205-R209 PolarHBondContact O-N 3.08Å; Q206-R209 WeakPolarHBondContact O-CB 3.41Å; Q206-R209 PolarHBondContact O-N 2.89Å; E207-R209 VanDerWaalsContact C-N 3.32Å; E207-R209 PolarHBondContact O-N 2.94Å; R209-H212 PolarHBondContact O-N 3.36Å; R209-G213 PolarHBondContact O-N 3.4Å; R209-I214 HydrophobicContact CB-CB 4.18Å; R209-I214 CarbonylContact O-C 3.57Å; R209-I214 WeakPolarHBondContact O-CA 3.27Å; R209-I214 WeakPolarHBondContact O-CB 3.19Å; R209-I214 PolarHBondContact O-N 3.17Å |
| 210 | L | 86.4 | Confident | 79 | Confident | 106 Ų | 106 | 101 Ų | 101 | 56% | 0.555 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.3 | -43.1 | 179.3 | -68.8 | 171.8 | 0 | 0 | 0 | 112.2 | Q206 E207 H212 G213 | Q206-L210 WeakPolarHBondContact O-CG 3.46Å; Q206-L210 PolarHBondContact O-N 3.39Å; E207-L210 PolarHBondContact O-N 3.2Å; L210-H212 VanDerWaalsContact C-N 3.34Å; L210-H212 PolarHBondContact O-N 3.07Å; L210-G213 PolarHBondContact O-N 3.39Å; L210-G213 VanDerWaalsContact O-N 3.09Å |
| 211 | V | 88.7 | Confident | 77 | Confident | 109 Ų | 109 | 98.9 Ų | 98.9 | 66% | 0.661 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.1 | -39.8 | 177.7 | 169.6 | 0 | 0 | 0 | 0 | 111.5 | E207 Q208 G213 | E207-V211 HydrophobicContact CG-CG2 4.22Å; E207-V211 WeakPolarHBondContact O-CB 3.4Å; E207-V211 VanDerWaalsContact O-CG2 3.27Å; E207-V211 WeakPolarHBondContact O-CG2 3.49Å; E207-V211 PolarHBondContact O-N 3.01Å; Q208-V211 PolarHBondContact O-N 3.47Å; V211-G213 PolarHBondContact O-N 3.01Å |
| 212 | H | 81.2 | Confident | 75.1 | Confident | 149 Ų | 149 | 99.9 Ų | 99.9 | 69% | 0.69 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | 9.3 | 176.2 | -73.6 | -64.3 | 0 | 0 | 0 | 113.8 | Q208 R209 L210 I214 | Q208-H212 WeakPolarHBondContact O-CB 3.48Å; Q208-H212 PolarHBondContact O-CD2 3.49Å; Q208-H212 PolarHBondContact O-N 3.34Å; R209-H212 PolarHBondContact O-N 3.36Å; L210-H212 VanDerWaalsContact C-N 3.34Å; L210-H212 PolarHBondContact O-N 3.07Å; H212-I214 PolarHBondContact O-N 3.45Å |
| 213 | G | 70.7 | Confident | 73.1 | Confident | 56 Ų | 56 | 103.4 Ų | 103.4 | 58% | 0.577 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 73 | 12.9 | 176 | 0 | 0 | 0 | 0 | 0 | 114 | R209 L210 V211 V215 | R209-G213 PolarHBondContact O-N 3.4Å; L210-G213 PolarHBondContact O-N 3.39Å; L210-G213 VanDerWaalsContact O-N 3.09Å; V211-G213 PolarHBondContact O-N 3.01Å; G213-V215 PolarHBondContact O-N 2.95Å |
| 214 | I | 64.1 | Low | 71.2 | Confident | 109 Ų | 109 | 101.9 Ų | 101.9 | 56% | 0.559 | 55% | 0.551 | S | S | * | * | trans | -78.7 | 69.5 | 165.6 | -49.8 | 172.2 | 0 | 0 | 0 | 106.4 | R209 H212 | R209-I214 HydrophobicContact CB-CB 4.18Å; R209-I214 CarbonylContact O-C 3.57Å; R209-I214 WeakPolarHBondContact O-CA 3.27Å; R209-I214 WeakPolarHBondContact O-CB 3.19Å; R209-I214 PolarHBondContact O-N 3.17Å; H212-I214 PolarHBondContact O-N 3.45Å | ||
| 215 | V | 59.8 | Low | 69.2 | Low | 78 Ų | 78 | 103.6 Ų | 103.6 | 47% | 0.473 | 56% | 0.56 | S | S | . | * | trans | -80.6 | 123.7 | 171.4 | -169.9 | 0 | 0 | 0 | 0 | 105.8 | G213 S217 | G213-V215 PolarHBondContact O-N 2.95Å; V215-S217 PolarHBondContact O-N 2.83Å; V215-S217 PolarHBondContact O-OG 3.47Å | ||
| 216 | M | 60 | Low | 67.3 | Low | 156 Ų | 156 | 108.1 Ų | 108.1 | 77% | 0.768 | 58% | 0.578 | S | S | * | * | trans | -70 | 68.8 | 160.2 | -66.7 | -158.5 | 71.1 | 0 | 0 | 107.7 | D218 L221 | M216-D218 VanDerWaalsContact C-N 3.33Å; M216-L221 HydrophobicContact CE-CD1 4.48Å | ||
| 217 | S | 55.8 | Low | 65.6 | Low | 95 Ų | 95 | 108.4 Ų | 108.4 | 66% | 0.664 | 59% | 0.591 | S | S | * | * | trans | -92.6 | 9 | -176.5 | 46.7 | 0 | 0 | 0 | 0 | 112.8 | V215 A219 | V215-S217 PolarHBondContact O-N 2.83Å; V215-S217 PolarHBondContact O-OG 3.47Å; S217-A219 PolarHBondContact O-N 3.37Å | ||
| 218 | D | 47.8 | Very low | 63.8 | Low | 108 Ų | 108 | 106 Ų | 106 | 58% | 0.578 | 59% | 0.589 | S | S | * | * | trans | -85.1 | 91.4 | 167.4 | -114.8 | -23 | 0 | 0 | 0 | 108.5 | M216 A220 L221 | M216-D218 VanDerWaalsContact C-N 3.33Å; D218-A220 PolarHBondContact O-N 3.04Å; D218-A220 VanDerWaalsContact O-N 3.07Å; D218-L221 HydrophobicContact CB-CD1 4Å; D218-L221 HydrophobicContact CB-CG 3.99Å; D218-L221 PolarHBondContact O-N 3.19Å | ||
| 219 | A | 55.2 | Low | 62 | Low | 81 Ų | 81 | 103.5 Ų | 103.5 | 67% | 0.669 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -50.7 | -25.6 | 168 | 0 | 0 | 0 | 0 | 0 | 111.8 | S217 L221 Y222 E223 | S217-A219 PolarHBondContact O-N 3.37Å; A219-L221 VanDerWaalsContact C-N 3.3Å; A219-L221 PolarHBondContact O-N 2.95Å; A219-Y222 PolarHBondContact O-N 2.81Å; A219-E223 PolarHBondContact O-N 2.98Å |
| 220 | A | 55.8 | Low | 60.3 | Low | 60 Ų | 60 | 102.6 Ų | 102.6 | 50% | 0.496 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64.8 | -26.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | D218 S224 | D218-A220 PolarHBondContact O-N 3.04Å; D218-A220 VanDerWaalsContact O-N 3.07Å; A220-S224 VanDerWaalsContact O-CB 3.3Å; A220-S224 WeakPolarHBondContact O-CB 3.27Å; A220-S224 PolarHBondContact O-N 3.37Å; A220-S224 VanDerWaalsContact O-N 3.12Å |
| 221 | L | 55.9 | Low | 58.4 | Low | 90 Ų | 90 | 107.3 Ų | 107.3 | 47% | 0.471 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -79 | -26.6 | 178.5 | -69.9 | 174.3 | 0 | 0 | 0 | 112.4 | M216 D218 A219 L225 | M216-L221 HydrophobicContact CE-CD1 4.48Å; D218-L221 HydrophobicContact CB-CD1 4Å; D218-L221 HydrophobicContact CB-CG 3.99Å; D218-L221 PolarHBondContact O-N 3.19Å; A219-L221 VanDerWaalsContact C-N 3.3Å; A219-L221 PolarHBondContact O-N 2.95Å; L221-L225 WeakPolarHBondContact O-CB 3.44Å; L221-L225 PolarHBondContact O-N 3.22Å; L221-L225 VanDerWaalsContact O-N 3.1Å |
| 222 | Y | 55.8 | Low | 56.4 | Low | 181 Ų | 181 | 105.4 Ų | 105.4 | 71% | 0.71 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -73 | -44.3 | 176.1 | -157.1 | -93.3 | 0 | 0 | 0 | 110.8 | A219 S224 L225 E226 | A219-Y222 PolarHBondContact O-N 2.81Å; Y222-S224 VanDerWaalsContact C-N 3.33Å; Y222-S224 PolarHBondContact O-N 3.19Å; Y222-L225 PolarHBondContact O-N 3.4Å; Y222-E226 WeakPolarHBondContact O-CB 3.35Å; Y222-E226 PolarHBondContact O-N 2.97Å |
| 223 | E | 54.6 | Low | 55 | Low | 138 Ų | 138 | 103.3 Ų | 103.3 | 65% | 0.645 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -65.7 | -34.5 | 175.6 | -167.1 | 167.5 | -171.4 | 0 | 0 | 112.1 | A219 S227 | A219-E223 PolarHBondContact O-N 2.98Å; E223-S227 VanDerWaalsContact O-CB 3.25Å; E223-S227 WeakPolarHBondContact O-CB 3.39Å; E223-S227 PolarHBondContact O-N 3.15Å; E223-S227 PolarHBondContact O-OG 2.99Å |
| 224 | S | 55.3 | Low | 53.9 | Low | 73 Ų | 73 | 108.7 Ų | 108.7 | 51% | 0.51 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -74.7 | -28.7 | 175.5 | -168.2 | 0 | 0 | 0 | 0 | 113.9 | A220 Y222 A228 | A220-S224 VanDerWaalsContact O-CB 3.3Å; A220-S224 WeakPolarHBondContact O-CB 3.27Å; A220-S224 PolarHBondContact O-N 3.37Å; A220-S224 VanDerWaalsContact O-N 3.12Å; Y222-S224 VanDerWaalsContact C-N 3.33Å; Y222-S224 PolarHBondContact O-N 3.19Å; S224-A228 WeakPolarHBondContact O-CB 3.46Å; S224-A228 PolarHBondContact O-N 2.97Å; S224-A228 VanDerWaalsContact O-N 3.1Å |
| 225 | L | 53.4 | Low | 53.1 | Low | 78 Ų | 78 | 106.8 Ų | 106.8 | 41% | 0.408 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -81.9 | -33 | 176.7 | -94 | 156.7 | 0 | 0 | 0 | 112.6 | L221 Y222 A228 I230 | L221-L225 WeakPolarHBondContact O-CB 3.44Å; L221-L225 PolarHBondContact O-N 3.22Å; L221-L225 VanDerWaalsContact O-N 3.1Å; Y222-L225 PolarHBondContact O-N 3.4Å; L225-A228 PolarHBondContact O-N 3.28Å; L225-I230 HydrophobicContact CD2-CB 4.12Å; L225-I230 HydrophobicContact CD2-CG2 4.41Å |
| 226 | E | 52.7 | Low | 52.3 | Low | 150 Ų | 150 | 107.8 Ų | 107.8 | 70% | 0.701 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -67.7 | -39 | 170.6 | -164 | 166.7 | -157.6 | 0 | 0 | 110.7 | Y222 | Y222-E226 WeakPolarHBondContact O-CB 3.35Å; Y222-E226 PolarHBondContact O-N 2.97Å |
| 227 | S | 56.1 | Low | 51.5 | Low | 104 Ų | 104 | 105.4 Ų | 105.4 | 73% | 0.727 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -73 | -23 | 174.5 | -59.5 | 0 | 0 | 0 | 0 | 114.2 | E223 | E223-S227 VanDerWaalsContact O-CB 3.25Å; E223-S227 WeakPolarHBondContact O-CB 3.39Å; E223-S227 PolarHBondContact O-N 3.15Å; E223-S227 PolarHBondContact O-OG 2.99Å |
| 228 | A | 54.3 | Low | 50.7 | Low | 58 Ų | 58 | 105.1 Ų | 105.1 | 48% | 0.479 | 65% | 0.645 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.3 | -0.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | S224 L225 I230 | S224-A228 WeakPolarHBondContact O-CB 3.46Å; S224-A228 PolarHBondContact O-N 2.97Å; S224-A228 VanDerWaalsContact O-N 3.1Å; L225-A228 PolarHBondContact O-N 3.28Å; A228-I230 HydrophobicContact CB-CD1 4.43Å; A228-I230 HydrophobicContact CB-CG1 4Å; A228-I230 VanDerWaalsContact O-CG1 3.31Å; A228-I230 WeakPolarHBondContact O-CG1 3.47Å; A228-I230 PolarHBondContact O-N 3.06Å; A228-I230 VanDerWaalsContact O-N 3.11Å |
| 229 | G | 52.6 | Low | 50.5 | Low | 54 Ų | 54 | 106.1 Ų | 106.1 | 56% | 0.557 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.3 | 16 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y231 G232 | G229-Y231 VanDerWaalsContact C-N 3.28Å; G229-Y231 PolarHBondContact O-N 3.03Å; G229-G232 PolarHBondContact O-N 3.12Å |
| 230 | I | 50.7 | Low | 50.1 | Low | 121 Ų | 121 | 106.4 Ų | 106.4 | 62% | 0.621 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -77.8 | -12.4 | -171.3 | -59.9 | -155.1 | 0 | 0 | 0 | 112.9 | L225 A228 G232 | L225-I230 HydrophobicContact CD2-CB 4.12Å; L225-I230 HydrophobicContact CD2-CG2 4.41Å; A228-I230 HydrophobicContact CB-CD1 4.43Å; A228-I230 HydrophobicContact CB-CG1 4Å; A228-I230 VanDerWaalsContact O-CG1 3.31Å; A228-I230 WeakPolarHBondContact O-CG1 3.47Å; A228-I230 PolarHBondContact O-N 3.06Å; A228-I230 VanDerWaalsContact O-N 3.11Å; I230-G232 PolarHBondContact O-N 3.32Å |
| 231 | Y | 45.5 | Very low | 49.7 | Very low | 205 Ų | 205 | 107.5 Ų | 107.5 | 80% | 0.804 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -85.1 | 20.3 | 168.6 | -93.8 | -84.8 | 0 | 0 | 0 | 114.5 | G229 | G229-Y231 VanDerWaalsContact C-N 3.28Å; G229-Y231 PolarHBondContact O-N 3.03Å |
| 232 | G | 46.8 | Very low | 49.1 | Very low | 69 Ų | 69 | 111.2 Ų | 111.2 | 71% | 0.711 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -82.3 | -0.7 | 173 | 0 | 0 | 0 | 0 | 0 | 116.3 | G229 I230 | G229-G232 PolarHBondContact O-N 3.12Å; I230-G232 PolarHBondContact O-N 3.32Å |
| 233 | S | 51.1 | Low | 48.5 | Very low | 106 Ų | 106 | 114.3 Ų | 114.3 | 74% | 0.741 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -141.8 | 16.1 | -169.1 | -136.4 | 0 | 0 | 0 | 0 | 118.4 | ||
| 234 | L | 49.5 | Very low | 48.1 | Very low | 168 Ų | 168 | 111.8 Ų | 111.8 | 88% | 0.88 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -141.8 | 71.3 | 168.5 | -70.9 | 175.5 | 0 | 0 | 0 | 110.9 | ||
| 235 | G | 45.5 | Very low | 47.4 | Very low | 70 Ų | 70 | 116.1 Ų | 116.1 | 72% | 0.722 | 71% | 0.714 | S | S | * | * | S | Bend | trans | 155 | 108.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 236 | A | 43.5 | Very low | 46.6 | Very low | 99 Ų | 99 | 121.3 Ų | 121.3 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 136.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 237 | P | 42.6 | Very low | 45.7 | Very low | 106 Ų | 106 | 120 Ų | 120 | 69% | 0.688 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 133.4 | 172.2 | 29.8 | -30.6 | 0 | 0 | 0 | 109.6 | ||
| 238 | S | 39.9 | Very low | 44.7 | Very low | 88 Ų | 88 | 123.1 Ų | 123.1 | 62% | 0.615 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 139.9 | 162.7 | 171.6 | 0 | 0 | 0 | 0 | 109.8 | A240 | S238-A240 PolarHBondContact O-N 2.86Š|
| 239 | P | 43.8 | Very low | 43.6 | Very low | 129 Ų | 129 | 123.7 Ų | 123.7 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | 12.3 | -171 | 26.3 | -33.3 | 0 | 0 | 0 | 115.5 | ||
| 240 | A | 46.5 | Very low | 42.8 | Very low | 87 Ų | 87 | 126.4 Ų | 126.4 | 72% | 0.719 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | -12 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | S238 | S238-A240 PolarHBondContact O-N 2.86Š|
| 241 | A | 47.6 | Very low | 42 | Very low | 84 Ų | 84 | 127 Ų | 127 | 69% | 0.694 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -97.1 | -2.2 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | R243 | A241-R243 PolarHBondContact O-N 3.26Š|
| 242 | Q | 42.8 | Very low | 41.4 | Very low | 168 Ų | 168 | 122.3 Ų | 122.3 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | 8.1 | -173.7 | -74.8 | -172.8 | -22.4 | 0 | 0 | 115.8 | ||
| 243 | R | 44.6 | Very low | 41.1 | Very low | 245 Ų | 245 | 124.4 Ų | 124.4 | 93% | 0.925 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | 8.7 | -175.1 | -102.2 | -170.6 | -79.3 | 160.7 | -6.4 | 116.7 | A241 | A241-R243 PolarHBondContact O-N 3.26Š|
| 244 | A | 44.2 | Very low | 40.3 | Very low | 85 Ų | 85 | 124.5 Ų | 124.5 | 70% | 0.702 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -122.5 | 12.8 | -168.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 245 | L | 40.5 | Very low | 39.4 | Very low | 164 Ų | 164 | 120.9 Ų | 120.9 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | trans | -135.6 | 65.8 | 177.3 | -65.8 | 175 | 0 | 0 | 0 | 112.6 | ||||
| 246 | H | 37.5 | Very low | 38.8 | Very low | 187 Ų | 187 | 122.4 Ų | 122.4 | 87% | 0.866 | 78% | 0.778 | S | S | * | * | trans | -136.6 | 86.3 | 156.4 | -80 | -78.3 | 0 | 0 | 0 | 108.7 | ||||
| 247 | C | 33.7 | Very low | 38.5 | Very low | 124 Ų | 124 | 125.2 Ų | 125.2 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | trans | -168.9 | 94 | 157.9 | -91.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 248 | N | 35.5 | Very low | 37.9 | Very low | 169 Ų | 169 | 127.5 Ų | 127.5 | 90% | 0.904 | 78% | 0.784 | S | S | * | * | trans | -176.8 | 129.2 | 132.4 | -102.2 | 15.8 | 0 | 0 | 0 | 110.1 | ||||
| 249 | G | 31.1 | Very low | 37.5 | Very low | 70 Ų | 70 | 128.6 Ų | 128.6 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | trans | -63.5 | 171.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 250 | S | 35.6 | Very low | 37.1 | Very low | 110 Ų | 110 | 128.4 Ų | 128.4 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | cis | -171.3 | 160 | 43.3 | -83.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 251 | T | 34.1 | Very low | 36.7 | Very low | 133 Ų | 133 | 128.6 Ų | 128.6 | 82% | 0.816 | 79% | 0.789 | S | S | * | * | trans | 64 | 105.2 | 146.2 | 58.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 252 | S | 33.9 | Very low | 36.4 | Very low | 108 Ų | 108 | 131.3 Ų | 131.3 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | 166.6 | 120.7 | 98.4 | 61.9 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 253 | S | 38.6 | Very low | 36.4 | Very low | 113 Ų | 113 | 131.2 Ų | 131.2 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | trans | 43.7 | 137.7 | 134.2 | -28.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 254 | S | 34.6 | Very low | 36 | Very low | 108 Ų | 108 | 127 Ų | 127 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | cis | -172.5 | 155.4 | 17.2 | -20.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 255 | A | 31.5 | Very low | 36.1 | Very low | 92 Ų | 92 | 129.3 Ų | 129.3 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | trans | 73.1 | 138.9 | 147.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 256 | S | 32 | Very low | 36.6 | Very low | 102 Ų | 102 | 127.2 Ų | 127.2 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | cis | -169.9 | 153 | 10 | -15.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 257 | L | 37 | Very low | 36.7 | Very low | 158 Ų | 158 | 125 Ų | 125 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | trans | 81.1 | 95.4 | 147.7 | -58.3 | 172.1 | 0 | 0 | 0 | 121.7 | ||||
| 258 | L | 31.4 | Very low | 36.8 | Very low | 154 Ų | 154 | 129.4 Ų | 129.4 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | 18 | 123.8 | 123.9 | -75.5 | 150.7 | 0 | 0 | 0 | 120.6 | |||||
| 259 | S | 32 | Very low | 36.8 | Very low | 111 Ų | 111 | 130.1 Ų | 130.1 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | -166.7 | 101.7 | 128.4 | -76.4 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 260 | T | 34.4 | Very low | 36.8 | Very low | 125 Ų | 125 | 132.8 Ų | 132.8 | 77% | 0.767 | 79% | 0.785 | S | S | * | * | 67.9 | 106.4 | 101.2 | 59.7 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 261 | A | 37.5 | Very low | 36.6 | Very low | 90 Ų | 90 | 133.3 Ų | 133.3 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | trans | 4.8 | 129.5 | 153.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 262 | T | 41.4 | Very low | 36.4 | Very low | 141 Ų | 141 | 135.9 Ų | 135.9 | 87% | 0.865 | 79% | 0.789 | S | S | * | * | -161.4 | 152.9 | 115.2 | 22.9 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 263 | E | 43.2 | Very low | 36.4 | Very low | 166 Ų | 166 | 141.5 Ų | 141.5 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | -61.4 | 168.5 | -171.8 | -43.9 | -72.9 | 136.1 | 0 | 0 | 113.7 | ||||
| 264 | D | 37 | Very low | 35.9 | Very low | 158 Ų | 158 | 143.3 Ų | 143.3 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | trans | 107.7 | 115.8 | 160 | -53.7 | -42 | 0 | 0 | 0 | 118.3 | ||||
| 265 | D | 44.9 | Very low | 35.6 | Very low | 133 Ų | 133 | 143.8 Ų | 143.8 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | trans | -64.7 | 144 | 171 | -163.3 | 19.9 | 0 | 0 | 0 | 110.7 | L267 | D265-L267 PolarHBondContact OD1-N 3.09Š| ||
| 266 | P | 51.8 | Low | 35.5 | Very low | 120 Ų | 120 | 144.8 Ų | 144.8 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | -146.4 | 148.1 | 99.6 | 34.9 | -17.5 | 0 | 0 | 0 | 116.4 | |||||
| 267 | L | 40.3 | Very low | 35.4 | Very low | 140 Ų | 140 | 145.1 Ų | 145.1 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | trans | -52.5 | 133.6 | 164.4 | -78.9 | 146.3 | 0 | 0 | 0 | 114.9 | D265 | D265-L267 PolarHBondContact OD1-N 3.09Š| ||
| 268 | Y | 35 | Very low | 35.4 | Very low | 216 Ų | 216 | 148.5 Ų | 148.5 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | trans | 75.4 | 92 | 157.4 | -93.5 | -96.2 | 0 | 0 | 0 | 120 | ||||
| 269 | Q | 35 | Very low | 35.9 | Very low | 184 Ų | 184 | 149.4 Ų | 149.4 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 120.7 | 163 | -174.4 | 154.4 | -10.1 | 0 | 0 | 111.6 | ||
| 270 | T | 32.1 | Very low | 35.8 | Very low | 127 Ų | 127 | 151.9 Ų | 151.9 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 129 | 169.8 | -64.6 | 0 | 0 | 0 | 0 | 109 | Q272 | T270-Q272 PolarHBondContact O-N 3.32Š|
| 271 | C | 31.8 | Very low | 35.8 | Very low | 120 Ų | 120 | 150.7 Ų | 150.7 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 118 | 177.8 | -62.5 | 0 | 0 | 0 | 0 | 111.2 | ||
| 272 | Q | 29 | Very low | 35.5 | Very low | 188 Ų | 188 | 151.7 Ų | 151.7 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 125.9 | 168.9 | -144.8 | 109.1 | 13.4 | 0 | 0 | 108.9 | T270 | T270-Q272 PolarHBondContact O-N 3.32Š|
| 273 | Y | 33 | Very low | 35 | Very low | 226 Ų | 226 | 150.1 Ų | 150.1 | 89% | 0.886 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 121.5 | 165.9 | -103.8 | -93.6 | 0 | 0 | 0 | 109.2 | ||
| 274 | H | 28.3 | Very low | 34.5 | Very low | 151 Ų | 151 | 146.8 Ų | 146.8 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | trans | -79.2 | 115.1 | 171.5 | -152.7 | 44 | 0 | 0 | 0 | 108.3 | D276 | H274-D276 IonicContact CD2-OD1 2.76Å; H274-D276 IonicContact CD2-OD2 3.2Å; H274-D276 PolarHBondContact CD2-OD2 2.84Å; H274-D276 IonicContact CE1-OD1 3.08Å; H274-D276 PolarHBondContact CE1-OD1 3.47Å; H274-D276 IonicContact CE1-OD2 3.9Å; H274-D276 IonicContact ND1-OD1 3.73Å; H274-D276 IonicContact NE2-OD1 3.26Å; H274-D276 PolarHBondContact NE2-OD1 3.42Å; H274-D276 IonicContact NE2-OD2 3.88Å; H274-D276 PolarHBondContact NE2-OD2 3.45Å | ||
| 275 | S | 28.7 | Very low | 34.2 | Very low | 117 Ų | 117 | 146 Ų | 146 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -120.5 | 101.5 | 156.3 | -78.4 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 276 | D | 30.1 | Very low | 33.6 | Very low | 113 Ų | 113 | 148.2 Ų | 148.2 | 60% | 0.604 | 79% | 0.793 | S | S | * | * | trans | -72.1 | 121.6 | 172.1 | -79.2 | -34.1 | 0 | 0 | 0 | 110 | H274 | H274-D276 IonicContact CD2-OD1 2.76Å; H274-D276 IonicContact CD2-OD2 3.2Å; H274-D276 PolarHBondContact CD2-OD2 2.84Å; H274-D276 IonicContact CE1-OD1 3.08Å; H274-D276 PolarHBondContact CE1-OD1 3.47Å; H274-D276 IonicContact CE1-OD2 3.9Å; H274-D276 IonicContact ND1-OD1 3.73Å; H274-D276 IonicContact NE2-OD1 3.26Å; H274-D276 PolarHBondContact NE2-OD1 3.42Å; H274-D276 IonicContact NE2-OD2 3.88Å; H274-D276 PolarHBondContact NE2-OD2 3.45Å | ||
| 277 | S | 29.8 | Very low | 32.7 | Very low | 110 Ų | 110 | 150 Ų | 150 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | -155.1 | 106.9 | 142.3 | 62.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 278 | Y | 36.8 | Very low | 32.1 | Very low | 229 Ų | 229 | 149.8 Ų | 149.8 | 90% | 0.898 | 79% | 0.794 | S | S | * | * | trans | -71.1 | 149.3 | 172.1 | -103 | -102.8 | 0 | 0 | 0 | 111.9 | ||||
| 279 | M | 41.7 | Very low | 31.8 | Very low | 173 Ų | 173 | 147.6 Ų | 147.6 | 85% | 0.852 | 79% | 0.792 | S | S | * | * | trans | -80.1 | 150.3 | 175.5 | -66.1 | -76.2 | 157.6 | 0 | 0 | 112.1 | ||||
| 280 | D | 29.3 | Very low | 31.6 | Very low | 162 Ų | 162 | 147.1 Ų | 147.1 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | -167.7 | 150.9 | 117.2 | -154.5 | 4.8 | 0 | 0 | 0 | 112.7 | |||||
| 281 | S | 34.3 | Very low | 32.3 | Very low | 100 Ų | 100 | 146.3 Ų | 146.3 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | trans | -100.6 | 144.7 | 178.2 | -66.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 282 | S | 31.4 | Very low | 32.8 | Very low | 112 Ų | 112 | 145.8 Ų | 145.8 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | 158.7 | 137.2 | 127.1 | 56.5 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 283 | S | 31.5 | Very low | 32.8 | Very low | 108 Ų | 108 | 141.7 Ų | 141.7 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | 66.4 | 117.9 | 143.8 | 40.8 | 0 | 0 | 0 | 0 | 125 | ||||
| 284 | A | 32.9 | Very low | 32.7 | Very low | 96 Ų | 96 | 139.4 Ų | 139.4 | 79% | 0.793 | 77% | 0.771 | S | S | * | * | 74.1 | 124.4 | 124.9 | 0 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 285 | D | 30.7 | Very low | 32.8 | Very low | 141 Ų | 141 | 143.3 Ų | 143.3 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | trans | 67.3 | 116.6 | 140.6 | -91.4 | -30.7 | 0 | 0 | 0 | 125.1 | ||||
| 286 | K | 32.9 | Very low | 32.9 | Very low | 179 Ų | 179 | 146.4 Ų | 146.4 | 78% | 0.778 | 78% | 0.781 | S | S | * | * | trans | 56.8 | 132.8 | 130.9 | -75.3 | 179 | -174.3 | 179.3 | 0 | 125.3 | ||||
| 287 | L | 31.3 | Very low | 33 | Very low | 158 Ų | 158 | 150 Ų | 150 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | trans | 93 | 111.1 | 139.4 | -79.2 | 166.1 | 0 | 0 | 0 | 122.1 | ||||
| 288 | N | 28.6 | Very low | 32.9 | Very low | 135 Ų | 135 | 155.3 Ų | 155.3 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | 52.9 | 122 | 129.2 | -156.2 | 43.1 | 0 | 0 | 0 | 122.9 | |||||
| 289 | E | 27.7 | Very low | 32.8 | Very low | 171 Ų | 171 | 152.2 Ų | 152.2 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | 158.1 | 143.9 | 127.1 | -86.9 | -95.5 | 81.6 | 0 | 0 | 111.9 | |||||
| 290 | Q | 31.4 | Very low | 32.5 | Very low | 173 Ų | 173 | 153.5 Ų | 153.5 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | trans | -86.8 | -167.2 | 172.1 | -73 | -169.3 | -17.2 | 0 | 0 | 111.8 | ||||
| 291 | P | 47 | Very low | 32.7 | Very low | 111 Ų | 111 | 151.4 Ų | 151.4 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | -114 | -158.5 | -75.4 | 39.2 | -20.6 | 0 | 0 | 0 | 109.7 | |||||
| 292 | P | 43 | Very low | 32.5 | Very low | 109 Ų | 109 | 153.7 Ų | 153.7 | 71% | 0.708 | 80% | 0.796 | S | S | * | * | cis | -145 | 174.9 | 15.5 | 41.1 | -17.5 | 0 | 0 | 0 | 120.6 | ||||
| 293 | S | 28.9 | Very low | 32.8 | Very low | 101 Ų | 101 | 153.2 Ų | 153.2 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | trans | 59.3 | 118.5 | 145.4 | 64.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 294 | Q | 31.1 | Very low | 33.1 | Very low | 179 Ų | 179 | 157.2 Ų | 157.2 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | 179.7 | 137.9 | 102.6 | -112.2 | -178.9 | -7.3 | 0 | 0 | 114.5 | |||||
| 295 | R | 30.1 | Very low | 33.3 | Very low | 232 Ų | 232 | 160.5 Ų | 160.5 | 88% | 0.875 | 80% | 0.802 | S | S | * | * | trans | 62.9 | 102.4 | 149.8 | -98.2 | 177.4 | 175.8 | 178.7 | -1.6 | 121.9 | ||||
| 296 | Q | 31.3 | Very low | 33.8 | Very low | 182 Ų | 182 | 161.6 Ų | 161.6 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | trans | -32.2 | 138.1 | 146.1 | -60.9 | 162.2 | -13 | 0 | 0 | 114.9 | ||||
| 297 | Q | 31.5 | Very low | 33.9 | Very low | 188 Ų | 188 | 159.4 Ų | 159.4 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | -162.3 | 115.5 | 117.7 | -102 | 176.1 | 30.8 | 0 | 0 | 110.5 | |||||
| 298 | R | 28.6 | Very low | 34.1 | Very low | 222 Ų | 222 | 157.9 Ų | 157.9 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | trans | -98.6 | 113.3 | -179.6 | -173.5 | -168.8 | -76.9 | -154.2 | -0.1 | 106.9 | ||||
| 299 | I | 33.7 | Very low | 34.4 | Very low | 165 Ų | 165 | 157.8 Ų | 157.8 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 117.8 | 172 | -59.8 | 176 | 0 | 0 | 0 | 107.7 | ||
| 300 | R | 34.5 | Very low | 34.9 | Very low | 199 Ų | 199 | 159.2 Ų | 159.2 | 75% | 0.751 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 152.5 | 171.8 | -82.4 | -173.2 | 173.3 | 170.3 | -1 | 109.9 | ||
| 301 | P | 34.2 | Very low | 35.2 | Very low | 118 Ų | 118 | 157 Ų | 157 | 77% | 0.766 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 142.7 | 179.8 | 30.1 | -32.9 | 0 | 0 | 0 | 111.8 | S303 | P301-S303 PolarHBondContact O-N 3.5Š|
| 302 | T | 30.6 | Very low | 34.7 | Very low | 149 Ų | 149 | 160 Ų | 160 | 91% | 0.914 | 82% | 0.817 | S | S | * | * | trans | -74.3 | 100.8 | 177.9 | 48.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 303 | S | 37.8 | Very low | 34.5 | Very low | 102 Ų | 102 | 162.6 Ų | 162.6 | 71% | 0.713 | 82% | 0.824 | S | S | * | * | trans | -139.3 | 95.4 | 160.5 | 58.5 | 0 | 0 | 0 | 0 | 106.7 | P301 | P301-S303 PolarHBondContact O-N 3.5Š| ||
| 304 | E | 37.8 | Very low | 35 | Very low | 192 Ų | 192 | 163.2 Ų | 163.2 | 90% | 0.897 | 82% | 0.823 | S | S | * | * | trans | 179 | 84.4 | 156 | -76 | -136.3 | 173.5 | 0 | 0 | 108 | ||||
| 305 | L | 35.9 | Very low | 35.5 | Very low | 164 Ų | 164 | 165.3 Ų | 165.3 | 86% | 0.859 | 82% | 0.824 | S | S | * | * | trans | -156.8 | 107.4 | 152.8 | -143.6 | 87.6 | 0 | 0 | 0 | 108 | ||||
| 306 | L | 41.2 | Very low | 36 | Very low | 164 Ų | 164 | 160 Ų | 160 | 86% | 0.859 | 82% | 0.822 | S | S | * | * | trans | 163 | 94.7 | 135.4 | -80.4 | -175.8 | 0 | 0 | 0 | 107.9 | ||||
| 307 | T | 35.4 | Very low | 36.5 | Very low | 133 Ų | 133 | 155.5 Ų | 155.5 | 82% | 0.816 | 82% | 0.816 | S | S | * | * | trans | -70.9 | 133.3 | 171.9 | 38 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 308 | V | 35.3 | Very low | 36.8 | Very low | 127 Ų | 127 | 152.5 Ų | 152.5 | 77% | 0.77 | 82% | 0.816 | S | S | * | * | trans | 0.5 | 116.3 | 150.6 | -175.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 309 | T | 35.3 | Very low | 37.5 | Very low | 132 Ų | 132 | 148 Ų | 148 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | trans | -121.6 | 113 | 146.8 | 49.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 310 | K | 38.9 | Very low | 37.7 | Very low | 201 Ų | 201 | 151.6 Ų | 151.6 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | trans | -67.9 | 122.7 | 170.6 | -95.9 | 172.7 | 168.4 | 170.6 | 0 | 108.6 | ||||
| 311 | T | 38.1 | Very low | 37.6 | Very low | 127 Ų | 127 | 145 Ų | 145 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | trans | -112.4 | 126.8 | 160.4 | 53.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 312 | H | 36.4 | Very low | 37.7 | Very low | 174 Ų | 174 | 149.9 Ų | 149.9 | 81% | 0.806 | 81% | 0.806 | S | S | * | * | trans | -81.1 | 114.9 | -172 | -170.1 | -97.4 | 0 | 0 | 0 | 109.5 | T314 | H312-T314 PolarHBondContact O-N 3.2Š| ||
| 313 | L | 38.6 | Very low | 38 | Very low | 164 Ų | 164 | 150 Ų | 150 | 86% | 0.859 | 81% | 0.806 | S | S | * | * | trans | -83.8 | 103.8 | 178.9 | -108.4 | 134.4 | 0 | 0 | 0 | 110.4 | R315 | L313-R315 PolarHBondContact O-N 3.26Š| ||
| 314 | T | 39.1 | Very low | 37.8 | Very low | 113 Ų | 113 | 156.4 Ų | 156.4 | 69% | 0.693 | 81% | 0.814 | S | S | * | * | trans | -80.9 | 110.8 | 172.8 | -37 | 0 | 0 | 0 | 0 | 109.6 | H312 S316 | H312-T314 PolarHBondContact O-N 3.2Å; T314-S316 PolarHBondContact O-N 3.08Å | ||
| 315 | R | 41.5 | Very low | 37.6 | Very low | 223 Ų | 223 | 150.7 Ų | 150.7 | 84% | 0.842 | 81% | 0.807 | S | S | * | * | trans | -60.9 | 121.9 | 172 | -62.9 | 171.3 | 75.3 | -121.4 | 6.5 | 109.4 | L313 | L313-R315 PolarHBondContact O-N 3.26Š| ||
| 316 | S | 40.3 | Very low | 37.5 | Very low | 120 Ų | 120 | 148.4 Ų | 148.4 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | trans | -113.3 | 97.1 | 161.7 | -62.1 | 0 | 0 | 0 | 0 | 108.7 | T314 | T314-S316 PolarHBondContact O-N 3.08Š| ||
| 317 | A | 40.8 | Very low | 37.3 | Very low | 89 Ų | 89 | 146.4 Ų | 146.4 | 74% | 0.736 | 81% | 0.805 | S | S | * | * | trans | -82.1 | 132.8 | 158.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 318 | S | 38.3 | Very low | 37.2 | Very low | 125 Ų | 125 | 145.6 Ų | 145.6 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | -138.3 | 110.7 | 161.1 | -166.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 319 | T | 43.4 | Very low | 37 | Very low | 128 Ų | 128 | 144.8 Ų | 144.8 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | -92.6 | 135.2 | 167.7 | 47.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 320 | R | 37.3 | Very low | 36.8 | Very low | 239 Ų | 239 | 143.4 Ų | 143.4 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | trans | -173.6 | 114.4 | 145.1 | -102.3 | -159.9 | 154.5 | -158.2 | -4.6 | 108.3 | ||||
| 321 | S | 32.4 | Very low | 36.5 | Very low | 62 Ų | 62 | 139 Ų | 139 | 43% | 0.434 | 79% | 0.794 | S | S | . | * | 88.9 | 103.3 | 57.9 | 78.9 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 322 | Y | 37.2 | Very low | 36.1 | Very low | 219 Ų | 219 | 137.7 Ų | 137.7 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | trans | 35.1 | 123.4 | 144.3 | -16.4 | -75.2 | 0 | 0 | 0 | 120.3 | ||||
| 323 | V | 36.4 | Very low | 35.9 | Very low | 152 Ų | 152 | 136.3 Ų | 136.3 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | trans | -131.9 | 108.4 | 132.6 | -77.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 324 | R | 34.5 | Very low | 35.5 | Very low | 236 Ų | 236 | 131.7 Ų | 131.7 | 89% | 0.891 | 79% | 0.786 | S | S | * | * | trans | -76.2 | 138.3 | 167.6 | -171.7 | 179.7 | -163.4 | -177.3 | 3.6 | 107.4 | ||||
| 325 | G | 32.7 | Very low | 35.1 | Very low | 73 Ų | 73 | 132.2 Ų | 132.2 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | trans | -60.4 | 143.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 326 | S | 34.9 | Very low | 34.6 | Very low | 116 Ų | 116 | 126.2 Ų | 126.2 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | -130.4 | 112.5 | 163.7 | -67.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 327 | S | 36.1 | Very low | 34.2 | Very low | 122 Ų | 122 | 127.9 Ų | 127.9 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | -62.9 | 129.8 | 161.2 | 48.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 328 | S | 33.2 | Very low | 34 | Very low | 116 Ų | 116 | 131.7 Ų | 131.7 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | trans | -148.6 | 128.7 | 149.8 | 53.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 329 | S | 32.3 | Very low | 33.8 | Very low | 110 Ų | 110 | 135 Ų | 135 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | -63.1 | 146.5 | 175.9 | 46.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 330 | S | 30.6 | Very low | 33.3 | Very low | 102 Ų | 102 | 133 Ų | 133 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | 152.7 | 137.6 | 110.5 | 55.2 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 331 | S | 31.7 | Very low | 33.3 | Very low | 108 Ų | 108 | 125.2 Ų | 125.2 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | 63 | 143.9 | 150.3 | 58.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 332 | S | 29.5 | Very low | 33.9 | Very low | 101 Ų | 101 | 133.1 Ų | 133.1 | 71% | 0.706 | 81% | 0.814 | S | S | * | * | cis | 171.4 | 154.1 | -19.7 | 47.7 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 333 | V | 32.4 | Very low | 33.9 | Very low | 145 Ų | 145 | 125.8 Ų | 125.8 | 88% | 0.879 | 81% | 0.806 | S | S | * | * | trans | 98.1 | 126.4 | 157.4 | -172.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 334 | G | 29.8 | Very low | 34.4 | Very low | 66 Ų | 66 | 124 Ų | 124 | 68% | 0.68 | 80% | 0.8 | S | S | * | * | trans | 131.6 | 65.2 | 156.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 335 | S | 31.3 | Very low | 34.7 | Very low | 124 Ų | 124 | 120.6 Ų | 120.6 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | 72.7 | 130.3 | 94.8 | -72.6 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 336 | A | 31.8 | Very low | 35.5 | Very low | 97 Ų | 97 | 126 Ų | 126 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | trans | 104.5 | 91.6 | 152.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 337 | E | 32.4 | Very low | 36.2 | Very low | 155 Ų | 155 | 132 Ų | 132 | 72% | 0.724 | 81% | 0.809 | S | S | * | * | 49.3 | 119.3 | 124.4 | -65.7 | -160.5 | 116.2 | 0 | 0 | 124.5 | |||||
| 338 | K | 35.4 | Very low | 36.9 | Very low | 170 Ų | 170 | 135.2 Ų | 135.2 | 74% | 0.739 | 81% | 0.808 | S | S | * | * | 88.5 | 137.9 | 125.2 | -81.5 | 177.4 | 178.3 | 138.5 | 0 | 122.4 | |||||
| 339 | Q | 33.6 | Very low | 37.8 | Very low | 194 Ų | 194 | 135.6 Ų | 135.6 | 91% | 0.907 | 81% | 0.807 | S | S | * | * | trans | 85.4 | 115.2 | 168.5 | -57.1 | -177.2 | 7.7 | 0 | 0 | 114 | ||||
| 340 | G | 34.7 | Very low | 39.1 | Very low | 86 Ų | 86 | 139.9 Ų | 139.9 | 89% | 0.887 | 81% | 0.812 | S | S | * | * | cis | 107.4 | 81.4 | 42.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 341 | G | 36.5 | Very low | 40.5 | Very low | 75 Ų | 75 | 143.7 Ų | 143.7 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | trans | -169 | 108.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | G343 | G341-G343 PolarHBondContact O-N 3.14Å; G341-G343 VanDerWaalsContact O-N 3.14Å | ||
| 342 | F | 44.6 | Very low | 42.2 | Very low | 228 Ų | 228 | 146.3 Ų | 146.3 | 100% | 1 | 82% | 0.816 | S | S | * | * | trans | -62.5 | 107.6 | 171 | -78 | -95.8 | 0 | 0 | 0 | 109.9 | ||||
| 343 | G | 37.1 | Very low | 44.3 | Very low | 66 Ų | 66 | 144.7 Ų | 144.7 | 68% | 0.68 | 81% | 0.805 | S | S | * | * | trans | -106.6 | 105.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | G341 L345 | G341-G343 PolarHBondContact O-N 3.14Å; G341-G343 VanDerWaalsContact O-N 3.14Å; G343-L345 PolarHBondContact O-N 2.92Å | ||
| 344 | S | 48.1 | Very low | 45.9 | Very low | 114 Ų | 114 | 145.1 Ų | 145.1 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | -60.5 | 103.9 | 164.8 | 55.2 | 0 | 0 | 0 | 0 | 108.7 | Q346 | S344-Q346 PolarHBondContact O-N 3.01Š| ||
| 345 | L | 40.2 | Very low | 47.9 | Very low | 165 Ų | 165 | 150.8 Ų | 150.8 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | -59.9 | 110.2 | 172.4 | -72.6 | 171.4 | 0 | 0 | 0 | 108.7 | G343 R347 | G343-L345 PolarHBondContact O-N 2.92Å; L345-R347 PolarHBondContact O-N 2.79Å | ||
| 346 | Q | 49.6 | Very low | 49.7 | Very low | 186 Ų | 186 | 153.9 Ų | 153.9 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | trans | -58.6 | 107.8 | 170.3 | -71.9 | -160.3 | -22.3 | 0 | 0 | 108.8 | S344 K348 | S344-Q346 PolarHBondContact O-N 3.01Å; Q346-K348 PolarHBondContact O-N 3.38Å | ||
| 347 | R | 49.3 | Very low | 51.6 | Low | 243 Ų | 243 | 156.3 Ų | 156.3 | 92% | 0.917 | 78% | 0.777 | S | S | * | * | trans | -63.5 | 109.4 | 170.4 | -76 | -178.9 | 165.6 | 171.6 | -2.8 | 107.6 | L345 | L345-R347 PolarHBondContact O-N 2.79Š| ||
| 348 | K | 51.1 | Low | 53.4 | Low | 189 Ų | 189 | 153.1 Ų | 153.1 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | trans | -50.9 | 134.8 | 170.2 | -68.1 | -153.9 | 173.4 | -171.7 | 0 | 109.3 | Q346 K350 | Q346-K348 PolarHBondContact O-N 3.38Å; K348-K350 PolarHBondContact O-N 3.36Å | ||
| 349 | P | 51.5 | Low | 55.1 | Low | 124 Ų | 124 | 147.1 Ų | 147.1 | 81% | 0.805 | 74% | 0.741 | S | S | * | * | trans | -63.6 | 115.2 | 178.3 | 25.8 | -32 | 0 | 0 | 0 | 108 | Q351 | P349-Q351 PolarHBondContact O-N 3.25Å; P349-Q351 VanDerWaalsContact O-N 3.12Å | ||
| 350 | K | 59.6 | Low | 56.9 | Low | 199 Ų | 199 | 145.3 Ų | 145.3 | 87% | 0.865 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -55 | 121.4 | 173.2 | -73.6 | -177.9 | 176.5 | -179.5 | 0 | 107.5 | K348 K352 | K348-K350 PolarHBondContact O-N 3.36Å; K350-K352 PolarHBondContact O-N 3.33Å |
| 351 | Q | 60.3 | Low | 58.5 | Low | 183 Ų | 183 | 149.1 Ų | 149.1 | 86% | 0.855 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 117 | 170.5 | -94.2 | -171.4 | -18.4 | 0 | 0 | 108 | P349 S353 | P349-Q351 PolarHBondContact O-N 3.25Å; P349-Q351 VanDerWaalsContact O-N 3.12Å; Q351-S353 PolarHBondContact O-N 3.19Å; Q351-S353 VanDerWaalsContact O-N 3.08Å |
| 352 | K | 66.7 | Low | 60.3 | Low | 162 Ų | 162 | 149 Ų | 149 | 70% | 0.704 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 119 | 175 | -74.8 | -179.5 | 179.1 | 178.1 | 0 | 107.3 | K350 F354 | K350-K352 PolarHBondContact O-N 3.33Å; K352-F354 PolarHBondContact O-N 3.29Å |
| 353 | S | 74.5 | Confident | 60.9 | Low | 68 Ų | 68 | 144.1 Ų | 144.1 | 48% | 0.476 | 69% | 0.694 | S | S | . | * | trans | -39.1 | 130.3 | 176.5 | 166.3 | 0 | 0 | 0 | 0 | 110.5 | Q351 R355 R356 R357 | Q351-S353 PolarHBondContact O-N 3.19Å; Q351-S353 VanDerWaalsContact O-N 3.08Å; S353-R355 PolarHBondContact O-N 3.07Å; S353-R355 VanDerWaalsContact O-N 3.07Å; S353-R355 WeakPolarHBondContact OG-CB 3.3Å; S353-R355 PolarHBondContact OG-N 3.35Å; S353-R356 WeakPolarHBondContact O-CB 3.47Å; S353-R356 PolarHBondContact O-N 3.01Å; S353-R357 PolarHBondContact O-N 2.92Å | ||
| 354 | F | 66.5 | Low | 62.3 | Low | 153 Ų | 153 | 144.5 Ų | 144.5 | 67% | 0.671 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -47.5 | -37.1 | 176.4 | -178.9 | -100.7 | 0 | 0 | 0 | 111.7 | K352 R356 R357 L358 | K352-F354 PolarHBondContact O-N 3.29Å; F354-R356 PolarHBondContact O-N 3.45Å; F354-R357 WeakPolarHBondContact O-CA 3.43Å; F354-R357 WeakPolarHBondContact O-CB 3.37Å; F354-R357 PolarHBondContact O-N 3.41Å; F354-L358 HydrophobicContact CD1-CD1 4.27Å; F354-L358 HydrophobicContact CE1-CD1 3.44Å; F354-L358 VanDerWaalsContact CE1-CD1 3.44Å; F354-L358 HydrophobicContact CZ-CD1 3.66Å; F354-L358 PolarHBondContact O-N 3.45Å |
| 355 | R | 70.7 | Confident | 63 | Low | 186 Ų | 186 | 144.1 Ų | 144.1 | 70% | 0.702 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -54.6 | -45.1 | 173.9 | -171.5 | 177.9 | 176.1 | -169.6 | -1.8 | 112.8 | S353 R357 L358 L359 | S353-R355 PolarHBondContact O-N 3.07Å; S353-R355 VanDerWaalsContact O-N 3.07Å; S353-R355 WeakPolarHBondContact OG-CB 3.3Å; S353-R355 PolarHBondContact OG-N 3.35Å; R355-R357 VanDerWaalsContact C-N 3.28Å; R355-R357 PolarHBondContact O-N 3.1Å; R355-L358 PolarHBondContact O-N 3.34Å; R355-L359 HydrophobicContact CG-CD1 4.09Å; R355-L359 HydrophobicContact CG-CG 4.48Å; R355-L359 WeakPolarHBondContact O-CB 3.4Å; R355-L359 WeakPolarHBondContact O-CG 3.31Å; R355-L359 PolarHBondContact O-N 3.11Å |
| 356 | R | 69.7 | Low | 63.7 | Low | 189 Ų | 189 | 140.7 Ų | 140.7 | 71% | 0.713 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -68 | -27.6 | 177.4 | -77.1 | -174.6 | 167.3 | 179.1 | -4.7 | 112.9 | S353 F354 | S353-R356 WeakPolarHBondContact O-CB 3.47Å; S353-R356 PolarHBondContact O-N 3.01Å; F354-R356 PolarHBondContact O-N 3.45Å |
| 357 | R | 72 | Confident | 64.1 | Low | 147 Ų | 147 | 142 Ų | 142 | 56% | 0.555 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -75.7 | -38.1 | 176.7 | -156.6 | 179.3 | -56.6 | -179.1 | 5.2 | 110.9 | S353 F354 R355 K360 F361 | S353-R357 PolarHBondContact O-N 2.92Å; F354-R357 WeakPolarHBondContact O-CA 3.43Å; F354-R357 WeakPolarHBondContact O-CB 3.37Å; F354-R357 PolarHBondContact O-N 3.41Å; R355-R357 VanDerWaalsContact C-N 3.28Å; R355-R357 PolarHBondContact O-N 3.1Å; R357-K360 WeakPolarHBondContact O-CB 3.3Å; R357-F361 WeakPolarHBondContact O-CD2 3.35Å; R357-F361 VanDerWaalsContact O-CE2 3.27Å; R357-F361 WeakPolarHBondContact O-CE2 3.43Å |
| 358 | L | 70.4 | Confident | 64 | Low | 88 Ų | 88 | 135.7 Ų | 135.7 | 46% | 0.461 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -73.1 | -39.9 | -179.2 | -152.1 | 127.9 | 0 | 0 | 0 | 112.2 | F354 R355 K360 F361 | F354-L358 HydrophobicContact CD1-CD1 4.27Å; F354-L358 HydrophobicContact CE1-CD1 3.44Å; F354-L358 VanDerWaalsContact CE1-CD1 3.44Å; F354-L358 HydrophobicContact CZ-CD1 3.66Å; F354-L358 PolarHBondContact O-N 3.45Å; R355-L358 PolarHBondContact O-N 3.34Å; L358-K360 PolarHBondContact O-N 3.27Å; L358-F361 PolarHBondContact O-N 3.43Å; L358-F361 VanDerWaalsContact O-N 3.1Å |
| 359 | L | 69.9 | Low | 63.7 | Low | 44 Ų | 44 | 135.2 Ų | 135.2 | 23% | 0.23 | 66% | 0.662 | C | S | . | * | H | α-helix | trans | -62 | -25.1 | 177.1 | -70.9 | 174.3 | 0 | 0 | 0 | 113.6 | R355 F361 I362 L365 N366 | R355-L359 HydrophobicContact CG-CD1 4.09Å; R355-L359 HydrophobicContact CG-CG 4.48Å; R355-L359 WeakPolarHBondContact O-CB 3.4Å; R355-L359 WeakPolarHBondContact O-CG 3.31Å; R355-L359 PolarHBondContact O-N 3.11Å; L359-F361 PolarHBondContact O-N 3.41Å; L359-I362 HydrophobicContact CD2-CD1 4.49Å; L359-I362 PolarHBondContact O-N 3.41Å; L359-L365 HydrophobicContact CD2-CB 4.4Å; L359-L365 HydrophobicContact CD2-CD2 3.44Å; L359-L365 VanDerWaalsContact CD2-CD2 3.44Å; L359-N366 PolarHBondContact O-OD1 2.75Å; L359-N366 VanDerWaalsContact O-OD1 3.11Å |
| 360 | K | 71.5 | Confident | 63.7 | Low | 156 Ų | 156 | 138.1 Ų | 138.1 | 68% | 0.678 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -24.1 | 176.1 | -165.4 | 177.3 | 177 | -173.5 | 0 | 112.9 | R357 L358 | R357-K360 WeakPolarHBondContact O-CB 3.3Å; L358-K360 PolarHBondContact O-N 3.27Å |
| 361 | F | 69.6 | Low | 63.3 | Low | 167 Ų | 167 | 137.7 Ų | 137.7 | 73% | 0.732 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | -0.2 | -178.3 | -61.4 | -78.6 | 0 | 0 | 0 | 113.7 | R357 L358 L359 P363 | R357-F361 WeakPolarHBondContact O-CD2 3.35Å; R357-F361 VanDerWaalsContact O-CE2 3.27Å; R357-F361 WeakPolarHBondContact O-CE2 3.43Å; L358-F361 PolarHBondContact O-N 3.43Å; L358-F361 VanDerWaalsContact O-N 3.1Å; L359-F361 PolarHBondContact O-N 3.41Å; F361-P363 WeakPolarHBondContact O-CD 3.25Å |
| 362 | I | 73.3 | Confident | 62.9 | Low | 71 Ų | 71 | 137.6 Ų | 137.6 | 36% | 0.364 | 67% | 0.666 | S | S | . | * | S | Bend | trans | -105 | 104.8 | 176.4 | -54.1 | 177.1 | 0 | 0 | 0 | 108.3 | L359 G364 L365 | L359-I362 HydrophobicContact CD2-CD1 4.49Å; L359-I362 PolarHBondContact O-N 3.41Å; I362-G364 PolarHBondContact O-N 3.39Å; I362-L365 HydrophobicContact CB-CB 4.34Å; I362-L365 HydrophobicContact CG2-CB 4.26Å; I362-L365 HydrophobicContact CG2-CD1 4.04Å; I362-L365 PolarHBondContact O-N 3.12Å |
| 363 | P | 56.7 | Low | 62.2 | Low | 126 Ų | 126 | 138.7 Ų | 138.7 | 82% | 0.818 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | 129.9 | 177.8 | 21.7 | -28.6 | 0 | 0 | 0 | 110.3 | F361 | F361-P363 WeakPolarHBondContact O-CD 3.25Š|
| 364 | G | 66.6 | Low | 61 | Low | 75 Ų | 75 | 140.9 Ų | 140.9 | 77% | 0.773 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 100.9 | -18.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | I362 | I362-G364 PolarHBondContact O-N 3.39Š|
| 365 | L | 62.7 | Low | 59.8 | Low | 105 Ų | 105 | 143.5 Ų | 143.5 | 55% | 0.55 | 70% | 0.7 | S | S | . | * | trans | -98.3 | 6.5 | -175.3 | -115.6 | 113 | 0 | 0 | 0 | 115.4 | L359 I362 | L359-L365 HydrophobicContact CD2-CB 4.4Å; L359-L365 HydrophobicContact CD2-CD2 3.44Å; L359-L365 VanDerWaalsContact CD2-CD2 3.44Å; I362-L365 HydrophobicContact CB-CB 4.34Å; I362-L365 HydrophobicContact CG2-CB 4.26Å; I362-L365 HydrophobicContact CG2-CD1 4.04Å; I362-L365 PolarHBondContact O-N 3.12Å | ||
| 366 | N | 55.8 | Low | 58.2 | Low | 94 Ų | 94 | 146.6 Ų | 146.6 | 50% | 0.503 | 73% | 0.729 | S | S | . | * | trans | -93.4 | 9 | -178.8 | -70.9 | -42.5 | 0 | 0 | 0 | 114.5 | L359 P368 | L359-N366 PolarHBondContact O-OD1 2.75Å; L359-N366 VanDerWaalsContact O-OD1 3.11Å; N366-P368 VanDerWaalsContact O-CD 3.3Å; N366-P368 WeakPolarHBondContact O-CD 3.2Å | ||
| 367 | R | 58.2 | Low | 57.7 | Low | 213 Ų | 213 | 144.5 Ų | 144.5 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | trans | -84.3 | 116.1 | 175 | -77 | -169.6 | 180 | -165 | 1.1 | 110.3 | L369 | R367-L369 PolarHBondContact O-N 3.04Š| ||
| 368 | P | 46.6 | Very low | 56.9 | Low | 111 Ų | 111 | 144.4 Ų | 144.4 | 72% | 0.721 | 74% | 0.739 | S | S | * | * | trans | -63.1 | 129.4 | 164.4 | 26.7 | -30.4 | 0 | 0 | 0 | 108.8 | N366 E370 | N366-P368 VanDerWaalsContact O-CD 3.3Å; N366-P368 WeakPolarHBondContact O-CD 3.2Å; P368-E370 PolarHBondContact O-N 3.1Å | ||
| 369 | L | 45.3 | Very low | 56.2 | Low | 178 Ų | 178 | 147.5 Ų | 147.5 | 93% | 0.932 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | 58.9 | -174.5 | -153.4 | 141.4 | 0 | 0 | 0 | 109.9 | R367 | R367-L369 PolarHBondContact O-N 3.04Š|
| 370 | E | 50.6 | Low | 55.3 | Low | 186 Ų | 186 | 153.6 Ų | 153.6 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.2 | 1.7 | 177 | -78.5 | -172.3 | 170.3 | 0 | 0 | 114.7 | P368 | P368-E370 PolarHBondContact O-N 3.1Š|
| 371 | E | 52.3 | Low | 54.3 | Low | 190 Ų | 190 | 153.4 Ų | 153.4 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | trans | -126.3 | 56.8 | 179.6 | -73.7 | -175.4 | 162.1 | 0 | 0 | 112.8 | ||||
| 372 | E | 52.2 | Low | 53.3 | Low | 180 Ų | 180 | 152.5 Ų | 152.5 | 84% | 0.841 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -131.6 | 27 | 166 | -125.5 | -175.2 | -154.7 | 0 | 0 | 114.2 | ||
| 373 | E | 51 | Low | 51.9 | Low | 186 Ų | 186 | 158.4 Ų | 158.4 | 87% | 0.869 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -133.6 | 72.9 | 164.6 | -72.4 | -169.2 | 176.9 | 0 | 0 | 110 | ||
| 374 | S | 50.1 | Low | 51.5 | Low | 113 Ų | 113 | 160.8 Ų | 160.8 | 79% | 0.79 | 83% | 0.828 | S | S | * | * | trans | -174.6 | 87.7 | 159.4 | -81.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 375 | K | 40.5 | Very low | 50.3 | Low | 209 Ų | 209 | 168 Ų | 168 | 91% | 0.909 | 83% | 0.832 | S | S | * | * | trans | 174.7 | 76.8 | 144.2 | -93 | 160.1 | -169.3 | -171.6 | 0 | 108.5 | ||||
| 376 | L | 38 | Very low | 49.1 | Very low | 251 Ų | 251 | 173.7 Ų | 173.7 | 100% | 1.314 | 86% | 0.858 | S | S | * | * | trans | -77.2 | 0 | 135.3 | -80.7 | 166.7 | 0 | 0 | 0 | 107.8 |
Retrieved 376 of 376 residues in 110.6 ms
(Link to these results)