| 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 | 33.4 | Very low | 34.1 | Very low | 240 Ų | 240 | 162.7 Ų | 162.7 | 100% | 1.182 | 86% | 0.861 | S | S | * | * | 0 | 81.3 | 0 | -69.1 | -70.3 | 173.6 | 0 | 0 | 110.5 | |||||
| 2 | P | 39.2 | Very low | 33.5 | Very low | 134 Ų | 134 | 159.2 Ų | 159.2 | 87% | 0.87 | 86% | 0.859 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 135.3 | 172 | 25.2 | -12 | 0 | 0 | 0 | 111.9 | ||
| 3 | R | 33.3 | Very low | 33.4 | Very low | 249 Ų | 249 | 156.3 Ų | 156.3 | 94% | 0.94 | 86% | 0.859 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 123 | -168.1 | -152.6 | 170 | 174.6 | 174.4 | -2.2 | 110.5 | A5 | R3-A5 PolarHBondContact O-N 3.39Š|
| 4 | A | 36.9 | Very low | 33.1 | Very low | 101 Ų | 101 | 153.4 Ų | 153.4 | 84% | 0.835 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 116.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | S6 | A4-S6 PolarHBondContact O-N 2.93Š|
| 5 | A | 41.4 | Very low | 33.2 | Very low | 95 Ų | 95 | 151.1 Ų | 151.1 | 79% | 0.785 | 85% | 0.853 | S | S | * | * | trans | -77.6 | 101.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | R3 R7 | R3-A5 PolarHBondContact O-N 3.39Å; A5-R7 PolarHBondContact O-N 3.47Å | ||
| 6 | S | 32.5 | Very low | 33 | Very low | 103 Ų | 103 | 148.9 Ų | 148.9 | 72% | 0.72 | 85% | 0.851 | S | S | * | * | trans | -68.9 | 88.6 | 172.1 | 173 | 0 | 0 | 0 | 0 | 110.6 | A4 R8 | A4-S6 PolarHBondContact O-N 2.93Å; S6-R8 PolarHBondContact O-N 3.33Å | ||
| 7 | R | 33.4 | Very low | 32.8 | Very low | 244 Ų | 244 | 147.1 Ų | 147.1 | 92% | 0.921 | 85% | 0.849 | S | S | * | * | trans | -80.1 | 98.9 | 164.1 | -88 | -175 | 169.9 | -143.1 | -0 | 109 | A5 | A5-R7 PolarHBondContact O-N 3.47Š| ||
| 8 | R | 34.4 | Very low | 33.3 | Very low | 226 Ų | 226 | 147.1 Ų | 147.1 | 85% | 0.853 | 85% | 0.852 | S | S | * | * | trans | -88.7 | 121.9 | 168.2 | -71.8 | 179.3 | 79.1 | 157.1 | 3.3 | 110 | S6 | S6-R8 PolarHBondContact O-N 3.33Š| ||
| 9 | T | 30.1 | Very low | 33.3 | Very low | 126 Ų | 126 | 144.4 Ų | 144.4 | 77% | 0.773 | 85% | 0.849 | S | S | * | * | trans | -63.2 | 138.8 | 166.4 | -38 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 10 | L | 35.3 | Very low | 33.3 | Very low | 163 Ų | 163 | 142 Ų | 142 | 85% | 0.853 | 85% | 0.846 | S | S | * | * | trans | -141.5 | 96.8 | 159.6 | -80.3 | 166.4 | 0 | 0 | 0 | 106.2 | ||||
| 11 | C | 25.5 | Very low | 33.4 | Very low | 109 Ų | 109 | 140 Ų | 140 | 74% | 0.736 | 85% | 0.845 | S | S | * | * | 74.1 | 104.3 | 89.7 | -79.3 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 12 | S | 26.5 | Very low | 33.1 | Very low | 120 Ų | 120 | 133.6 Ų | 133.6 | 84% | 0.839 | 83% | 0.831 | S | S | * | * | trans | -45.1 | 136.1 | 161.9 | -47.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 13 | S | 32.7 | Very low | 32.9 | Very low | 122 Ų | 122 | 131.6 Ų | 131.6 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | trans | -149.7 | 111.9 | 154.4 | -74 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 14 | S | 28.6 | Very low | 32.8 | Very low | 115 Ų | 115 | 124.1 Ų | 124.1 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -53.7 | 144 | 167.4 | -50.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 15 | S | 34.2 | Very low | 32.7 | Very low | 119 Ų | 119 | 126.4 Ų | 126.4 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | trans | -177.4 | 110.2 | 134.7 | -91.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 16 | S | 30.6 | Very low | 32.3 | Very low | 117 Ų | 117 | 130.7 Ų | 130.7 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | 38.8 | 116.8 | 146.4 | -57.9 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 17 | S | 30.2 | Very low | 32.3 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | trans | -58.7 | 143.1 | 159.8 | 32.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 18 | T | 40.3 | Very low | 32.1 | Very low | 148 Ų | 148 | 129 Ų | 129 | 91% | 0.908 | 82% | 0.823 | S | S | * | * | trans | -144.8 | 126.1 | 144.1 | -8.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 19 | A | 34.2 | Very low | 32.2 | Very low | 96 Ų | 96 | 130.4 Ų | 130.4 | 79% | 0.793 | 83% | 0.829 | S | S | * | * | trans | -66.9 | 166.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 20 | A | 32.8 | Very low | 32.3 | Very low | 95 Ų | 95 | 130.2 Ų | 130.2 | 79% | 0.785 | 83% | 0.827 | S | S | * | * | -163.6 | 124.5 | 71.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 21 | A | 36 | Very low | 32.1 | Very low | 100 Ų | 100 | 130.3 Ų | 130.3 | 83% | 0.826 | 83% | 0.828 | S | S | * | * | 78.4 | 103.2 | 77.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 22 | A | 27.9 | Very low | 32.5 | Very low | 107 Ų | 107 | 129.7 Ų | 129.7 | 88% | 0.884 | 83% | 0.831 | S | S | * | * | trans | -78.2 | 138.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 23 | A | 34 | Very low | 32.7 | Very low | 92 Ų | 92 | 128.1 Ų | 128.1 | 76% | 0.76 | 83% | 0.825 | S | S | * | * | trans | -163.9 | 106.3 | 155.3 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 24 | A | 31.4 | Very low | 32.6 | Very low | 92 Ų | 92 | 128.6 Ų | 128.6 | 76% | 0.76 | 82% | 0.823 | S | S | * | * | 72.6 | 88.4 | 89.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 25 | V | 33.9 | Very low | 32.8 | Very low | 148 Ų | 148 | 129.8 Ų | 129.8 | 90% | 0.897 | 82% | 0.82 | S | S | * | * | trans | -91.4 | 97.4 | 159.6 | 177.4 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 26 | Q | 34.4 | Very low | 32.5 | Very low | 185 Ų | 185 | 128.7 Ų | 128.7 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | trans | -112.5 | 126.8 | 163.1 | -116.2 | 171 | -35.8 | 0 | 0 | 108.1 | ||||
| 27 | R | 31.1 | Very low | 32.4 | Very low | 244 Ų | 244 | 127.1 Ų | 127.1 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | -66.3 | 133.5 | 178 | -74.7 | 175 | 166.7 | 161.8 | -5.3 | 110.3 | ||||
| 28 | G | 30.9 | Very low | 32.3 | Very low | 69 Ų | 69 | 127.2 Ų | 127.2 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | trans | 71.8 | 93.3 | 146.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 29 | R | 36.4 | Very low | 31.9 | Very low | 255 Ų | 255 | 127.9 Ų | 127.9 | 96% | 0.962 | 80% | 0.8 | S | S | * | * | 177.7 | 154.5 | 117.8 | -97 | 173.4 | 160.2 | 139.4 | -4.3 | 110.3 | |||||
| 30 | T | 32.3 | Very low | 31.5 | Very low | 122 Ų | 122 | 133.4 Ų | 133.4 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | trans | -88.9 | 146.6 | -151.2 | 4.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 31 | L | 30.7 | Very low | 31.4 | Very low | 165 Ų | 165 | 134.4 Ų | 134.4 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | 69.4 | 144.7 | 148.1 | -70.4 | 152.4 | 0 | 0 | 0 | 118.6 | ||||
| 32 | A | 32.7 | Very low | 31.1 | Very low | 96 Ų | 96 | 134.8 Ų | 134.8 | 79% | 0.793 | 79% | 0.793 | S | S | * | * | cis | -139.8 | 155.6 | 19.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 33 | A | 30.8 | Very low | 31.2 | Very low | 87 Ų | 87 | 136.9 Ų | 136.9 | 72% | 0.719 | 79% | 0.789 | S | S | * | * | trans | -90.4 | 151.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 34 | T | 31.2 | Very low | 30.9 | Very low | 131 Ų | 131 | 139.1 Ų | 139.1 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | 158.8 | 135 | 152.7 | 29 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 35 | N | 32.3 | Very low | 30.6 | Very low | 141 Ų | 141 | 139.1 Ų | 139.1 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | cis | -151.5 | 138.5 | 17.9 | -84.8 | -43.9 | 0 | 0 | 0 | 107.2 | ||||
| 36 | A | 28.6 | Very low | 30.2 | Very low | 95 Ų | 95 | 137.4 Ų | 137.4 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | 52 | 134.7 | 96.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 37 | A | 28.4 | Very low | 29.9 | Very low | 84 Ų | 84 | 135.3 Ų | 135.3 | 69% | 0.694 | 78% | 0.776 | S | S | * | * | cis | -166.3 | 139.4 | 15.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 38 | V | 27.8 | Very low | 30 | Very low | 120 Ų | 120 | 130.3 Ų | 130.3 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | 65.7 | 109.2 | 109.8 | -169.9 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 39 | H | 31.3 | Very low | 30 | Very low | 162 Ų | 162 | 133.1 Ų | 133.1 | 75% | 0.75 | 77% | 0.771 | S | S | * | * | -170.6 | 113.4 | 111 | -115.9 | -94.7 | 0 | 0 | 0 | 114.3 | |||||
| 40 | R | 27 | Very low | 30 | Very low | 211 Ų | 211 | 128.5 Ų | 128.5 | 80% | 0.796 | 76% | 0.762 | S | S | * | * | trans | 16 | 129.9 | 148 | -71 | 174.9 | 166.8 | 136.5 | -4.7 | 122.7 | ||||
| 41 | S | 30.9 | Very low | 29.9 | Very low | 117 Ų | 117 | 125.3 Ų | 125.3 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | -152.8 | 98.9 | 123.3 | -163.9 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 42 | V | 28.7 | Very low | 30 | Very low | 107 Ų | 107 | 124 Ų | 124 | 65% | 0.648 | 76% | 0.755 | S | S | * | * | 57.3 | 87.6 | 90.6 | -173.1 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 43 | L | 30.6 | Very low | 30 | Very low | 151 Ų | 151 | 125.3 Ų | 125.3 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | 160.5 | 121.8 | 127.2 | -85.6 | 153.9 | 0 | 0 | 0 | 114.4 | |||||
| 44 | N | 28.3 | Very low | 30.1 | Very low | 139 Ų | 139 | 125.8 Ų | 125.8 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | trans | 65.6 | 110.2 | 137.8 | -103.9 | -7.5 | 0 | 0 | 0 | 122.6 | ||||
| 45 | S | 25.5 | Very low | 30.2 | Very low | 92 Ų | 92 | 128.4 Ų | 128.4 | 64% | 0.643 | 76% | 0.756 | S | S | * | * | 55.3 | 102.9 | 124.2 | 51.6 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 46 | C | 25.3 | Very low | 30 | Very low | 113 Ų | 113 | 127.4 Ų | 127.4 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | 171.3 | 98.6 | 119.9 | -84 | 0 | 0 | 0 | 0 | 108.9 | L48 | C46-L48 PolarHBondContact O-N 3.04Š| |||
| 47 | T | 28.3 | Very low | 30 | Very low | 141 Ų | 141 | 128.9 Ų | 128.9 | 87% | 0.865 | 76% | 0.759 | S | S | * | * | trans | -72 | 94 | 169.3 | -40.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 48 | L | 32.3 | Very low | 30.2 | Very low | 138 Ų | 138 | 130.3 Ų | 130.3 | 72% | 0.723 | 76% | 0.764 | S | S | * | * | trans | -92.3 | 99.2 | 170.6 | -87.1 | 164 | 0 | 0 | 0 | 109.2 | C46 M50 | C46-L48 PolarHBondContact O-N 3.04Å; L48-M50 HydrophobicContact CD2-CE 4.46Å; L48-M50 PolarHBondContact O-N 3.26Å | ||
| 49 | T | 30.7 | Very low | 30.2 | Very low | 129 Ų | 129 | 133 Ų | 133 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | trans | -70.7 | 89.9 | 169.1 | -41.9 | 0 | 0 | 0 | 0 | 108.7 | G51 | T49-G51 PolarHBondContact O-N 3.15Š| ||
| 50 | M | 35.8 | Very low | 30.3 | Very low | 158 Ų | 158 | 136 Ų | 136 | 78% | 0.778 | 77% | 0.773 | S | S | * | * | trans | -82.9 | 106.7 | 171.8 | -71.3 | -80.9 | 92.7 | 0 | 0 | 109.3 | L48 | L48-M50 HydrophobicContact CD2-CE 4.46Å; L48-M50 PolarHBondContact O-N 3.26Å | ||
| 51 | G | 30.9 | Very low | 30.5 | Very low | 54 Ų | 54 | 130.8 Ų | 130.8 | 56% | 0.557 | 78% | 0.775 | S | S | * | * | trans | -64.8 | 151.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | T49 V53 | T49-G51 PolarHBondContact O-N 3.15Å; G51-V53 PolarHBondContact O-N 3.43Å | ||
| 52 | P | 33.3 | Very low | 30.6 | Very low | 139 Ų | 139 | 131.1 Ų | 131.1 | 90% | 0.903 | 77% | 0.772 | S | S | * | * | trans | -70.3 | 120.8 | -175.5 | 27.6 | -32.9 | 0 | 0 | 0 | 111.4 | ||||
| 53 | V | 31.8 | Very low | 30.5 | Very low | 122 Ų | 122 | 131.7 Ų | 131.7 | 74% | 0.739 | 78% | 0.776 | S | S | * | * | trans | -89.2 | 110.6 | 170.1 | 177.9 | 0 | 0 | 0 | 0 | 108.7 | G51 | G51-V53 PolarHBondContact O-N 3.43Š| ||
| 54 | A | 32.6 | Very low | 30.4 | Very low | 97 Ų | 97 | 131 Ų | 131 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | trans | -66.6 | 129.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 55 | K | 33.3 | Very low | 30.4 | Very low | 187 Ų | 187 | 134 Ų | 134 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | trans | -140.1 | 107.5 | 163.9 | -78.3 | -174.4 | 176.3 | 160.2 | 0 | 111.6 | ||||
| 56 | S | 29.1 | Very low | 31 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | trans | 13.5 | 119.4 | 160.2 | 63.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 57 | V | 28.3 | Very low | 31.4 | Very low | 126 Ų | 126 | 138.1 Ų | 138.1 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | trans | -79.2 | 120.5 | 162.9 | 179.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 58 | S | 31.5 | Very low | 31.9 | Very low | 113 Ų | 113 | 137.9 Ų | 137.9 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | -95.5 | 110.6 | 166.7 | -167.7 | 0 | 0 | 0 | 0 | 108.1 | R60 | S58-R60 PolarHBondContact O-N 3.27Š| ||
| 59 | H | 28.4 | Very low | 32.6 | Very low | 176 Ų | 176 | 138.8 Ų | 138.8 | 82% | 0.815 | 79% | 0.79 | S | S | * | * | trans | -71.5 | 114.1 | 168.7 | -80 | -83.9 | 0 | 0 | 0 | 109.1 | ||||
| 60 | R | 33.4 | Very low | 33.5 | Very low | 225 Ų | 225 | 136.5 Ų | 136.5 | 85% | 0.849 | 78% | 0.784 | S | S | * | * | trans | -129.3 | 102.3 | 162.1 | -142.9 | -179.8 | -164.3 | -169.5 | 3.4 | 108.1 | S58 | S58-R60 PolarHBondContact O-N 3.27Š| ||
| 61 | A | 30.6 | Very low | 34.4 | Very low | 102 Ų | 102 | 132.4 Ų | 132.4 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | trans | -61.5 | 137.2 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 62 | T | 33.2 | Very low | 35.8 | Very low | 124 Ų | 124 | 132.5 Ų | 132.5 | 76% | 0.761 | 76% | 0.762 | S | S | * | * | trans | -147 | 130.5 | 168.9 | -51.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 63 | V | 26.8 | Very low | 37.2 | Very low | 119 Ų | 119 | 130.3 Ų | 130.3 | 72% | 0.721 | 74% | 0.741 | S | S | * | * | trans | -68 | 139.4 | -172.3 | 173.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 64 | T | 29.4 | Very low | 39 | Very low | 138 Ų | 138 | 126.9 Ų | 126.9 | 85% | 0.847 | 72% | 0.723 | S | S | * | * | trans | -80.7 | 118.8 | 177.9 | -19.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 65 | W | 27.6 | Very low | 40.9 | Very low | 200 Ų | 200 | 125.6 Ų | 125.6 | 76% | 0.758 | 71% | 0.707 | S | S | * | * | trans | -129.7 | 135.9 | 159.1 | -77.4 | 93.6 | 0 | 0 | 0 | 108.4 | F67 | W65-F67 HydrophobicContact CB-CD2 4.45Å; W65-F67 PolarHBondContact O-N 2.98Å; W65-F67 VanDerWaalsContact O-N 3.15Å | ||
| 66 | P | 37.7 | Very low | 42.6 | Very low | 123 Ų | 123 | 123.1 Ų | 123.1 | 80% | 0.799 | 70% | 0.699 | S | S | * | * | trans | -85.6 | 93.1 | -175.3 | 33.8 | -28.9 | 0 | 0 | 0 | 108.9 | ||||
| 67 | F | 34.5 | Very low | 44.4 | Very low | 170 Ų | 170 | 128.3 Ų | 128.3 | 75% | 0.746 | 70% | 0.7 | S | S | * | * | trans | -103.9 | 136.3 | 165.1 | -88.7 | -88.3 | 0 | 0 | 0 | 109 | W65 E69 | W65-F67 HydrophobicContact CB-CD2 4.45Å; W65-F67 PolarHBondContact O-N 2.98Å; W65-F67 VanDerWaalsContact O-N 3.15Å; F67-E69 VanDerWaalsContact C-N 3.25Å; F67-E69 PolarHBondContact O-N 3.11Å | ||
| 68 | S | 39.1 | Very low | 46.2 | Very low | 135 Ų | 135 | 123.7 Ų | 123.7 | 94% | 0.944 | 68% | 0.677 | S | S | * | * | trans | -47.4 | 87.6 | 165.7 | -69.9 | 0 | 0 | 0 | 0 | 110.7 | A70 | S68-A70 PolarHBondContact O-N 2.89Š| ||
| 69 | E | 45.8 | Very low | 47.8 | Very low | 157 Ų | 157 | 121.2 Ų | 121.2 | 73% | 0.734 | 66% | 0.66 | S | S | * | * | trans | -83 | 104.5 | -173.5 | -100.6 | -178.7 | 151.9 | 0 | 0 | 109.5 | F67 | F67-E69 VanDerWaalsContact C-N 3.25Å; F67-E69 PolarHBondContact O-N 3.11Å | ||
| 70 | A | 49.5 | Very low | 49.6 | Very low | 81 Ų | 81 | 115.4 Ų | 115.4 | 67% | 0.669 | 64% | 0.637 | S | S | * | * | trans | -51.1 | 135.3 | 160.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | S68 S72 | S68-A70 PolarHBondContact O-N 2.89Å; A70-S72 PolarHBondContact O-N 2.68Å | ||
| 71 | P | 55.6 | Low | 51.4 | Low | 73 Ų | 73 | 104.9 Ų | 104.9 | 47% | 0.474 | 60% | 0.598 | S | S | . | * | trans | -58.4 | 107 | -173.3 | 20.7 | -32 | 0 | 0 | 0 | 110.4 | ||||
| 72 | S | 60.1 | Low | 53.1 | Low | 56 Ų | 56 | 105 Ų | 105 | 39% | 0.392 | 58% | 0.577 | S | S | . | * | trans | -69.8 | 132.7 | -178.3 | 44.1 | 0 | 0 | 0 | 0 | 110.2 | A70 R102 T103 | A70-S72 PolarHBondContact O-N 2.68Å; S72-R102 CarbonylContact O-C 3.59Å; S72-R102 WeakPolarHBondContact O-CA 3.43Å; S72-T103 PolarHBondContact O-N 2.97Å; S72-T103 PolarHBondContact O-OG1 3.04Å; S72-T103 VanDerWaalsContact O-OG1 3.14Å; S72-T103 WeakPolarHBondContact OG-CB 3.49Å; S72-T103 PolarHBondContact OG-OG1 2.96Å | ||
| 73 | I | 63.2 | Low | 54.9 | Low | 92 Ų | 92 | 100.9 Ų | 100.9 | 47% | 0.472 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 112.6 | 177 | -62.4 | 172.2 | 0 | 0 | 0 | 107.3 | C100 R101 R102 W108 | I73-C100 HydrophobicContact CG2-CB 4.24Å; I73-R101 WeakPolarHBondContact CA-O 3.36Å; I73-R102 HydrophobicContact CD1-CG 4.21Å; I73-R102 HydrophobicContact CG1-CG 3.52Å; I73-W108 HydrophobicContact CG2-CH2 4.1Å; I73-W108 HydrophobicContact CG2-CZ2 4.41Å |
| 74 | S | 69.4 | Low | 56.9 | Low | 50 Ų | 50 | 99.4 Ų | 99.4 | 35% | 0.35 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 128.5 | 170.5 | 58.9 | 0 | 0 | 0 | 0 | 109.3 | C100 R101 | S74-C100 CarbonylContact O-C 3.57Å; S74-C100 VanDerWaalsContact O-CA 3.23Å; S74-C100 WeakPolarHBondContact O-CA 3.47Å; S74-R101 PolarHBondContact N-O 2.67Å; S74-R101 PolarHBondContact O-N 3.14Å; S74-R101 PolarHBondContact OG-O 3.01Å |
| 75 | C | 72.3 | Confident | 58.7 | Low | 71 Ų | 71 | 100.1 Ų | 100.1 | 48% | 0.48 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 130.9 | 176.3 | -67.8 | 0 | 0 | 0 | 0 | 110.4 | G99 C100 | C75-G99 CarbonylContact C-O 3.53Å; C75-G99 WeakPolarHBondContact CA-O 3.49Å; C75-C100 HydrophobicContact CB-CB 4.16Å; C75-C100 WeakPolarHBondContact CB-SG 3.4Å; C75-C100 WeakPolarHBondContact SG-CB 3.38Å; C75-C100 CovalentContact SG-SG 2.05Å; C75-C100 PolarHBondContact SG-SG 3.26Å |
| 76 | H | 68.8 | Low | 60.5 | Low | 135 Ų | 135 | 92.6 Ų | 92.6 | 63% | 0.625 | 51% | 0.509 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 130.2 | 176.3 | -56.5 | -60.1 | 0 | 0 | 0 | 109.7 | T98 G99 | H76-T98 WeakPolarHBondContact O-CA 3.23Å; H76-G99 PolarHBondContact N-O 3.3Å; H76-G99 PolarHBondContact O-N 2.88Å |
| 77 | R | 67.9 | Low | 61.5 | Low | 228 Ų | 228 | 99.6 Ų | 99.6 | 86% | 0.86 | 52% | 0.519 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 128.5 | 172.4 | -72.4 | -179.8 | -175.4 | 162.1 | 3 | 109.6 | S97 T98 | R77-S97 CarbonylContact C-O 3.49Å; R77-S97 WeakPolarHBondContact CA-O 3.16Å; R77-T98 HydrophobicContact CG-CG2 4.03Å |
| 78 | G | 65.2 | Low | 62.7 | Low | 29 Ų | 29 | 96 Ų | 96 | 30% | 0.299 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 156.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | S97 | G78-S97 PolarHBondContact N-O 3.43Å; G78-S97 PolarHBondContact O-N 2.98Å |
| 79 | S | 65.9 | Low | 63.7 | Low | 62 Ų | 62 | 99 Ų | 99 | 43% | 0.434 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 130.2 | 167.9 | -57.4 | 0 | 0 | 0 | 0 | 107.4 | R95 | S79-R95 WeakPolarHBondContact CA-O 3.39Å |
| 80 | V | 66.2 | Low | 64.5 | Low | 54 Ų | 54 | 93.8 Ų | 93.8 | 33% | 0.327 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 132.4 | 175.9 | -152.9 | 0 | 0 | 0 | 0 | 106.9 | V94 R95 W113 | V80-V94 CarbonylContact O-C 3.58Å; V80-V94 WeakPolarHBondContact O-CA 3.32Å; V80-R95 PolarHBondContact N-O 3.46Å; V80-R95 PolarHBondContact O-N 3.25Å; V80-W113 HydrophobicContact CB-CH2 3.91Å; V80-W113 HydrophobicContact CG1-CH2 4.22Å; V80-W113 VanDerWaalsContact O-CZ3 3.27Å; V80-W113 WeakPolarHBondContact O-CZ3 2.76Å |
| 81 | A | 70.4 | Confident | 65.2 | Low | 4 Ų | 4 | 97.1 Ų | 97.1 | 3% | 0.033 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 151.4 | 174 | 0 | 0 | 0 | 0 | 0 | 110.1 | L92 L93 V94 L125 S128 V130 | A81-L92 HydrophobicContact CB-CD1 4.12Å; A81-L93 CarbonylContact C-O 3.45Å; A81-L93 VanDerWaalsContact CA-O 3.23Å; A81-L93 WeakPolarHBondContact CA-O 3.13Å; A81-V94 HydrophobicContact CB-CG2 4.32Å; A81-L125 HydrophobicContact CB-CD2 3.26Å; A81-S128 PolarHBondContact N-OG 3.3Å; A81-S128 VanDerWaalsContact O-CB 3.29Å; A81-S128 WeakPolarHBondContact O-CB 3.41Å; A81-S128 PolarHBondContact O-OG 2.8Å; A81-V130 HydrophobicContact CB-CG2 3.85Å; A81-V130 WeakPolarHBondContact O-CG2 3.09Å |
| 82 | R | 67.4 | Low | 65.9 | Low | 103 Ų | 103 | 94.1 Ų | 94.1 | 39% | 0.389 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 139.6 | 173.9 | 61.2 | -170.2 | -178.8 | -175.9 | 7.5 | 109.5 | L93 W113 | R82-L93 HydrophobicContact CG-CB 3.83Å; R82-L93 HydrophobicContact CG-CD1 4.49Å; R82-L93 PolarHBondContact N-O 3.45Å; R82-L93 PolarHBondContact O-N 3.24Å; R82-W113 HydrophobicContact CB-CH2 4.27Å; R82-W113 HydrophobicContact CB-CZ3 4.23Å; R82-W113 VanDerWaalsContact CD-CZ3 3.48Å; R82-W113 HydrophobicContact CG-CE3 3.89Å; R82-W113 HydrophobicContact CG-CH2 3.73Å; R82-W113 HydrophobicContact CG-CZ2 4.45Å; R82-W113 HydrophobicContact CG-CZ3 3.42Å; R82-W113 VanDerWaalsContact CG-CZ3 3.42Å; R82-W113 VanDerWaalsContact CZ-CG 3.46Å; R82-W113 VanDerWaalsContact NE-CE3 3.26Å; R82-W113 VanDerWaalsContact NH1-CZ2 3.32Å; R82-W113 VanDerWaalsContact NH2-CD2 3.26Å |
| 83 | E | 71.2 | Confident | 66.3 | Low | 38 Ų | 38 | 92.6 Ų | 92.6 | 18% | 0.178 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 126 | 172.4 | -176 | 179.8 | 157.4 | 0 | 0 | 108.3 | R85 V130 S131 F134 | E83-R85 HydrophobicContact CG-CG 4.15Å; E83-R85 WeakPolarHBondContact OE1-CG 3.27Å; E83-R85 IonicContact OE1-CZ 3.3Å; E83-R85 VanDerWaalsContact OE1-CZ 3.3Å; E83-R85 IonicContact OE1-NE 2.77Å; E83-R85 PolarHBondContact OE1-NE 3.48Å; E83-R85 IonicContact OE1-NH2 3.04Å; E83-R85 PolarHBondContact OE1-NH2 3.38Å; E83-R85 IonicContact OE2-NH2 3.94Å; E83-V130 HydrophobicContact CB-CG1 4.42Å; E83-S131 PolarHBondContact OE2-OG 2.89Å; E83-F134 HydrophobicContact CB-CD1 3.82Å; E83-F134 HydrophobicContact CB-CE1 3.93Å; E83-F134 HydrophobicContact CB-CG 4.41Å; E83-F134 HydrophobicContact CG-CB 4.45Å; E83-F134 HydrophobicContact CG-CD1 3.57Å; E83-F134 HydrophobicContact CG-CD2 4.04Å; E83-F134 HydrophobicContact CG-CE1 3.65Å; E83-F134 HydrophobicContact CG-CE2 4.15Å; E83-F134 HydrophobicContact CG-CG 3.76Å; E83-F134 HydrophobicContact CG-CZ 3.96Å; E83-F134 WeakPolarHBondContact OE2-CB 3.45Å; E83-F134 WeakPolarHBondContact OE2-CG 3.48Å |
| 84 | L | 68.8 | Low | 66.5 | Low | 89 Ų | 89 | 89 Ų | 89 | 47% | 0.466 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 103.3 | 171.4 | -159.7 | 94.7 | 0 | 0 | 0 | 107.6 | G86 S90 R91 L93 | L84-G86 PolarHBondContact O-N 3.14Å; L84-S90 CarbonylContact O-C 3.44Å; L84-S90 WeakPolarHBondContact O-CA 3.48Å; L84-R91 PolarHBondContact N-O 3.24Å; L84-R91 PolarHBondContact O-N 2.91Å; L84-L93 HydrophobicContact CB-CD1 4.11Å; L84-L93 HydrophobicContact CB-CG 4.25Å; L84-L93 HydrophobicContact CD1-CD1 3.8Å; L84-L93 HydrophobicContact CD2-CD1 4.49Å; L84-L93 HydrophobicContact CG-CD1 4.36Å |
| 85 | R | 67.1 | Low | 66.4 | Low | 153 Ų | 153 | 90.3 Ų | 90.3 | 58% | 0.577 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 110.6 | 175.2 | -67 | -171.5 | 175.8 | -145.3 | -6.2 | 109.1 | E83 | E83-R85 HydrophobicContact CG-CG 4.15Å; E83-R85 WeakPolarHBondContact OE1-CG 3.27Å; E83-R85 IonicContact OE1-CZ 3.3Å; E83-R85 VanDerWaalsContact OE1-CZ 3.3Å; E83-R85 IonicContact OE1-NE 2.77Å; E83-R85 PolarHBondContact OE1-NE 3.48Å; E83-R85 IonicContact OE1-NH2 3.04Å; E83-R85 PolarHBondContact OE1-NH2 3.38Å; E83-R85 IonicContact OE2-NH2 3.94Å |
| 86 | G | 64.2 | Low | 66.2 | Low | 42 Ų | 42 | 95.7 Ų | 95.7 | 43% | 0.433 | 44% | 0.444 | S | S | . | . | trans | -98.1 | 164.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L84 A88 R89 | L84-G86 PolarHBondContact O-N 3.14Å; G86-A88 PolarHBondContact O-N 3.23Å; G86-R89 WeakPolarHBondContact CA-O 3.4Å; G86-R89 PolarHBondContact N-O 3.45Å; G86-R89 VanDerWaalsContact N-O 3.13Å | ||
| 87 | R | 58.9 | Low | 66 | Low | 270 Ų | 270 | 89.7 Ų | 89.7 | 100% | 1.019 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -52.8 | -29.3 | 179.2 | -112.1 | -178.9 | 179.9 | -177.2 | -0.8 | 114.9 | ||
| 88 | A | 60.1 | Low | 65.9 | Low | 95 Ų | 95 | 81 Ų | 81 | 79% | 0.785 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -122 | -22.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | G86 | G86-A88 PolarHBondContact O-N 3.23Š|
| 89 | R | 60.1 | Low | 65.8 | Low | 197 Ų | 197 | 80.2 Ų | 80.2 | 74% | 0.743 | 38% | 0.382 | S | S | * | . | trans | -153.4 | 137.6 | -175.2 | -64.5 | -171.3 | -179.7 | 176.5 | 0.1 | 111.5 | G86 | G86-R89 WeakPolarHBondContact CA-O 3.4Å; G86-R89 PolarHBondContact N-O 3.45Å; G86-R89 VanDerWaalsContact N-O 3.13Å | ||
| 90 | S | 62.7 | Low | 66 | Low | 47 Ų | 47 | 78 Ų | 78 | 33% | 0.329 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 133.5 | 169.6 | -57.9 | 0 | 0 | 0 | 0 | 110.1 | L84 F134 | L84-S90 CarbonylContact O-C 3.44Å; L84-S90 WeakPolarHBondContact O-CA 3.48Å; S90-F134 VanDerWaalsContact CB-CE2 3.4Å |
| 91 | R | 64.9 | Low | 66 | Low | 152 Ų | 152 | 82.2 Ų | 82.2 | 57% | 0.574 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 133.7 | 179.8 | -62 | -175.1 | -173 | -171.9 | 2.2 | 110.8 | L84 L93 | L84-R91 PolarHBondContact N-O 3.24Å; L84-R91 PolarHBondContact O-N 2.91Å; R91-L93 PolarHBondContact O-N 3Å |
| 92 | L | 68.3 | Low | 66 | Low | 10 Ų | 10 | 88 Ų | 88 | 5% | 0.052 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 118.8 | 172.5 | -169.8 | 73.5 | 0 | 0 | 0 | 110 | A81 V94 A116 L120 L125 V130 F134 V138 | A81-L92 HydrophobicContact CB-CD1 4.12Å; L92-V94 HydrophobicContact CD2-CG2 4.08Å; L92-V94 HydrophobicContact CG-CG2 4.25Å; L92-A116 HydrophobicContact CB-CB 4.17Å; L92-A116 HydrophobicContact CD2-CB 3.94Å; L92-A116 HydrophobicContact CG-CB 4.29Å; L92-A116 PolarHBondContact O-N 2.84Å; L92-L120 HydrophobicContact CD2-CB 4.36Å; L92-L120 HydrophobicContact CD2-CD1 4.01Å; L92-L125 HydrophobicContact CD1-CD1 4.43Å; L92-L125 HydrophobicContact CD1-CD2 4.04Å; L92-L125 HydrophobicContact CD2-CD1 4.05Å; L92-L125 HydrophobicContact CD2-CD2 3.71Å; L92-L125 HydrophobicContact CG-CD2 4.47Å; L92-V130 HydrophobicContact CD1-CG1 4.16Å; L92-V130 HydrophobicContact CD1-CG2 4.19Å; L92-F134 HydrophobicContact CB-CE1 3.76Å; L92-F134 HydrophobicContact CB-CZ 4.16Å; L92-F134 HydrophobicContact CD1-CD1 4.11Å; L92-F134 HydrophobicContact CD1-CE1 3.6Å; L92-F134 HydrophobicContact CG-CE1 4.28Å; L92-V138 HydrophobicContact CB-CG1 4.39Å; L92-V138 HydrophobicContact CB-CG2 4.37Å; L92-V138 HydrophobicContact CD2-CG1 3.7Å |
| 93 | L | 68.9 | Low | 66.1 | Low | 23 Ų | 23 | 87 Ų | 87 | 12% | 0.12 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 135.7 | 169.3 | -63.7 | -179 | 0 | 0 | 0 | 109.7 | A81 R82 L84 R91 W113 T115 | A81-L93 CarbonylContact C-O 3.45Å; A81-L93 VanDerWaalsContact CA-O 3.23Å; A81-L93 WeakPolarHBondContact CA-O 3.13Å; R82-L93 HydrophobicContact CG-CB 3.83Å; R82-L93 HydrophobicContact CG-CD1 4.49Å; R82-L93 PolarHBondContact N-O 3.45Å; R82-L93 PolarHBondContact O-N 3.24Å; L84-L93 HydrophobicContact CB-CD1 4.11Å; L84-L93 HydrophobicContact CB-CG 4.25Å; L84-L93 HydrophobicContact CD1-CD1 3.8Å; L84-L93 HydrophobicContact CD2-CD1 4.49Å; L84-L93 HydrophobicContact CG-CD1 4.36Å; R91-L93 PolarHBondContact O-N 3Å; L93-W113 HydrophobicContact CB-CE3 3.94Å; L93-W113 HydrophobicContact CB-CZ3 4.49Å; L93-T115 HydrophobicContact CD2-CG2 4.47Å |
| 94 | V | 68.1 | Low | 66 | Low | 16 Ų | 16 | 89.4 Ų | 89.4 | 10% | 0.097 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 128.1 | 178.8 | -177.9 | 0 | 0 | 0 | 0 | 108 | V80 A81 L92 R96 R114 A116 L120 | V80-V94 CarbonylContact O-C 3.58Å; V80-V94 WeakPolarHBondContact O-CA 3.32Å; A81-V94 HydrophobicContact CB-CG2 4.32Å; L92-V94 HydrophobicContact CD2-CG2 4.08Å; L92-V94 HydrophobicContact CG-CG2 4.25Å; V94-R96 HydrophobicContact CG1-CG 4.44Å; V94-R114 PolarHBondContact N-O 3.48Å; V94-R114 PolarHBondContact O-N 3.47Å; V94-R114 VanDerWaalsContact O-O 3.11Å; V94-A116 HydrophobicContact CG2-CB 3.81Å; V94-L120 HydrophobicContact CB-CD1 4.36Å; V94-L120 HydrophobicContact CG1-CD1 4.18Å; V94-L120 HydrophobicContact CG2-CD1 3.28Å |
| 95 | R | 67.7 | Low | 66.1 | Low | 78 Ų | 78 | 86.4 Ų | 86.4 | 29% | 0.294 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 112 | 169.4 | 172.4 | 168.2 | 166.9 | -129.4 | 4.2 | 108.7 | S79 V80 G111 N112 W113 | S79-R95 WeakPolarHBondContact CA-O 3.39Å; V80-R95 PolarHBondContact N-O 3.46Å; V80-R95 PolarHBondContact O-N 3.25Å; R95-G111 WeakPolarHBondContact CD-O 3.22Å; R95-G111 PolarHBondContact NE-O 2.91Å; R95-N112 WeakPolarHBondContact CA-O 3.44Å; R95-W113 HydrophobicContact CB-CD2 3.31Å; R95-W113 HydrophobicContact CB-CE3 3.32Å; R95-W113 HydrophobicContact CB-CG 3.89Å; R95-W113 HydrophobicContact CB-CH2 3.85Å; R95-W113 HydrophobicContact CB-CZ2 3.85Å; R95-W113 HydrophobicContact CB-CZ3 3.57Å; R95-W113 HydrophobicContact CG-CD2 4.19Å; R95-W113 HydrophobicContact CG-CG 4.46Å; R95-W113 HydrophobicContact CG-CZ2 4.48Å |
| 96 | R | 67.5 | Low | 65.9 | Low | 184 Ų | 184 | 84.1 Ų | 84.1 | 69% | 0.694 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 122.6 | 165.1 | -63.5 | -172.9 | -176.1 | -167.8 | 1.6 | 107 | V94 G111 | V94-R96 HydrophobicContact CG1-CG 4.44Å; R96-G111 WeakPolarHBondContact O-CA 3.39Å |
| 97 | S | 64.9 | Low | 66.3 | Low | 9 Ų | 9 | 85.4 Ų | 85.4 | 6% | 0.063 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 145.7 | 177 | 55.8 | 0 | 0 | 0 | 0 | 110.8 | R77 G78 T110 | R77-S97 CarbonylContact C-O 3.49Å; R77-S97 WeakPolarHBondContact CA-O 3.16Å; G78-S97 PolarHBondContact N-O 3.43Å; G78-S97 PolarHBondContact O-N 2.98Å; S97-T110 CarbonylContact C-O 3.51Å; S97-T110 WeakPolarHBondContact CA-O 3.16Å; S97-T110 WeakPolarHBondContact CB-O 3.09Å |
| 98 | T | 66.1 | Low | 66.4 | Low | 47 Ų | 47 | 78.1 Ų | 78.1 | 29% | 0.288 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 115.1 | 167.9 | -47.1 | 0 | 0 | 0 | 0 | 106.6 | H76 R77 R109 T110 | H76-T98 WeakPolarHBondContact O-CA 3.23Å; R77-T98 HydrophobicContact CG-CG2 4.03Å; T98-R109 WeakPolarHBondContact O-CA 3.39Å; T98-T110 PolarHBondContact N-O 3.09Å; T98-T110 PolarHBondContact O-N 3.33Å; T98-T110 PolarHBondContact O-OG1 2.91Å |
| 99 | G | 62.7 | Low | 66.5 | Low | 12 Ų | 12 | 82.9 Ų | 82.9 | 12% | 0.124 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 121.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | C75 H76 W108 | C75-G99 CarbonylContact C-O 3.53Å; C75-G99 WeakPolarHBondContact CA-O 3.49Å; H76-G99 PolarHBondContact N-O 3.3Å; H76-G99 PolarHBondContact O-N 2.88Å; G99-W108 CarbonylContact C-O 3.58Å; G99-W108 VanDerWaalsContact CA-O 3.29Å; G99-W108 WeakPolarHBondContact CA-O 3.27Å |
| 100 | C | 70.3 | Confident | 66.7 | Low | 15 Ų | 15 | 77.6 Ų | 77.6 | 10% | 0.101 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 146.3 | 171.7 | -64.6 | 0 | 0 | 0 | 0 | 109.6 | I73 S74 C75 A107 W108 | I73-C100 HydrophobicContact CG2-CB 4.24Å; S74-C100 CarbonylContact O-C 3.57Å; S74-C100 VanDerWaalsContact O-CA 3.23Å; S74-C100 WeakPolarHBondContact O-CA 3.47Å; C75-C100 HydrophobicContact CB-CB 4.16Å; C75-C100 WeakPolarHBondContact CB-SG 3.4Å; C75-C100 WeakPolarHBondContact SG-CB 3.38Å; C75-C100 CovalentContact SG-SG 2.05Å; C75-C100 PolarHBondContact SG-SG 3.26Å; C100-A107 CarbonylContact O-C 3.46Å; C100-A107 WeakPolarHBondContact O-CA 3.47Å; C100-W108 HydrophobicContact CB-CD2 4.05Å; C100-W108 VanDerWaalsContact CB-CE2 3.41Å; C100-W108 HydrophobicContact CB-CH2 3.9Å; C100-W108 HydrophobicContact CB-CZ2 3.33Å; C100-W108 HydrophobicContact CB-CZ3 4.47Å; C100-W108 PolarHBondContact N-O 3.32Å; C100-W108 PolarHBondContact O-N 2.89Å |
| 101 | R | 65.5 | Low | 66.8 | Low | 143 Ų | 143 | 76.5 Ų | 76.5 | 54% | 0.54 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 124.9 | 178.3 | -172.1 | 179.8 | -168.1 | -169.9 | 4.8 | 108.6 | I73 S74 G105 A107 | I73-R101 WeakPolarHBondContact CA-O 3.36Å; S74-R101 PolarHBondContact N-O 2.67Å; S74-R101 PolarHBondContact O-N 3.14Å; S74-R101 PolarHBondContact OG-O 3.01Å; R101-G105 PolarHBondContact NE-O 3.2Å; R101-A107 HydrophobicContact CB-CB 4.14Å; R101-A107 HydrophobicContact CG-CB 4.13Å |
| 102 | R | 71.2 | Confident | 66.8 | Low | 125 Ų | 125 | 75.1 Ų | 75.1 | 47% | 0.472 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 139.9 | 162.8 | -98.4 | -171.7 | 159.6 | 160.2 | -7.9 | 109.3 | S72 I73 G104 G105 W108 | S72-R102 CarbonylContact O-C 3.59Å; S72-R102 WeakPolarHBondContact O-CA 3.43Å; I73-R102 HydrophobicContact CD1-CG 4.21Å; I73-R102 HydrophobicContact CG1-CG 3.52Å; R102-G104 PolarHBondContact O-N 2.77Å; R102-G105 WeakPolarHBondContact O-CA 3.44Å; R102-G105 PolarHBondContact O-N 2.87Å; R102-W108 HydrophobicContact CB-CZ3 4.49Å; R102-W108 HydrophobicContact CG-CH2 4.47Å; R102-W108 HydrophobicContact CG-CZ3 4.5Å |
| 103 | T | 69.8 | Low | 66.7 | Low | 81 Ų | 81 | 78.2 Ų | 78.2 | 50% | 0.497 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 127.9 | 168.8 | -58.9 | 0 | 0 | 0 | 0 | 109.2 | S72 G105 | S72-T103 PolarHBondContact O-N 2.97Å; S72-T103 PolarHBondContact O-OG1 3.04Å; S72-T103 VanDerWaalsContact O-OG1 3.14Å; S72-T103 WeakPolarHBondContact OG-CB 3.49Å; S72-T103 PolarHBondContact OG-OG1 2.96Å; T103-G105 PolarHBondContact O-N 2.78Å |
| 104 | G | 69.1 | Low | 66.5 | Low | 89 Ų | 89 | 86.1 Ų | 86.1 | 92% | 0.918 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | -3 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | R102 | R102-G104 PolarHBondContact O-N 2.77Š|
| 105 | G | 69.8 | Low | 66.4 | Low | 27 Ų | 27 | 89 Ų | 89 | 28% | 0.278 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -107.9 | 167.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115 | R101 R102 T103 | R101-G105 PolarHBondContact NE-O 3.2Å; R102-G105 WeakPolarHBondContact O-CA 3.44Å; R102-G105 PolarHBondContact O-N 2.87Å; T103-G105 PolarHBondContact O-N 2.78Å |
| 106 | S | 63.4 | Low | 66.2 | Low | 105 Ų | 105 | 86.8 Ų | 86.8 | 73% | 0.734 | 46% | 0.458 | S | S | * | . | trans | -66 | 142.2 | 171.5 | 44.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 107 | A | 72.2 | Confident | 65.7 | Low | 68 Ų | 68 | 88 Ų | 88 | 56% | 0.562 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 135.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | C100 R101 | C100-A107 CarbonylContact O-C 3.46Å; C100-A107 WeakPolarHBondContact O-CA 3.47Å; R101-A107 HydrophobicContact CB-CB 4.14Å; R101-A107 HydrophobicContact CG-CB 4.13Å |
| 108 | W | 61.1 | Low | 65 | Low | 117 Ų | 117 | 92.2 Ų | 92.2 | 44% | 0.443 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 135.7 | 170.3 | 66.8 | 98.4 | 0 | 0 | 0 | 110 | I73 G99 C100 R102 | I73-W108 HydrophobicContact CG2-CH2 4.1Å; I73-W108 HydrophobicContact CG2-CZ2 4.41Å; G99-W108 CarbonylContact C-O 3.58Å; G99-W108 VanDerWaalsContact CA-O 3.29Å; G99-W108 WeakPolarHBondContact CA-O 3.27Å; C100-W108 HydrophobicContact CB-CD2 4.05Å; C100-W108 VanDerWaalsContact CB-CE2 3.41Å; C100-W108 HydrophobicContact CB-CH2 3.9Å; C100-W108 HydrophobicContact CB-CZ2 3.33Å; C100-W108 HydrophobicContact CB-CZ3 4.47Å; C100-W108 PolarHBondContact N-O 3.32Å; C100-W108 PolarHBondContact O-N 2.89Å; R102-W108 HydrophobicContact CB-CZ3 4.49Å; R102-W108 HydrophobicContact CG-CH2 4.47Å; R102-W108 HydrophobicContact CG-CZ3 4.5Å |
| 109 | R | 63.4 | Low | 64.3 | Low | 195 Ų | 195 | 94.6 Ų | 94.6 | 74% | 0.736 | 51% | 0.51 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 123.5 | 178.3 | -76.5 | -176.9 | 171.6 | -144.6 | -1.8 | 109.9 | T98 | T98-R109 WeakPolarHBondContact O-CA 3.39Å |
| 110 | T | 64.3 | Low | 63.9 | Low | 87 Ų | 87 | 95.8 Ų | 95.8 | 53% | 0.534 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 143.4 | 169.9 | 58 | 0 | 0 | 0 | 0 | 109.2 | S97 T98 | S97-T110 CarbonylContact C-O 3.51Å; S97-T110 WeakPolarHBondContact CA-O 3.16Å; S97-T110 WeakPolarHBondContact CB-O 3.09Å; T98-T110 PolarHBondContact N-O 3.09Å; T98-T110 PolarHBondContact O-N 3.33Å; T98-T110 PolarHBondContact O-OG1 2.91Å |
| 111 | G | 63.8 | Low | 63.1 | Low | 23 Ų | 23 | 105.5 Ų | 105.5 | 24% | 0.237 | 55% | 0.547 | C | S | . | . | trans | 167.1 | 123.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | R95 R96 | R95-G111 WeakPolarHBondContact CD-O 3.22Å; R95-G111 PolarHBondContact NE-O 2.91Å; R96-G111 WeakPolarHBondContact O-CA 3.39Å | ||
| 112 | N | 65.8 | Low | 62.3 | Low | 124 Ų | 124 | 100.1 Ų | 100.1 | 66% | 0.663 | 53% | 0.534 | S | S | * | . | trans | -102.6 | 144.9 | 178.8 | -69.7 | -16.2 | 0 | 0 | 0 | 110.9 | R95 | R95-N112 WeakPolarHBondContact CA-O 3.44Š| ||
| 113 | W | 65 | Low | 61.2 | Low | 75 Ų | 75 | 98.4 Ų | 98.4 | 28% | 0.284 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 131.3 | 170.6 | -69.5 | 98.9 | 0 | 0 | 0 | 109.8 | V80 R82 L93 R95 | V80-W113 HydrophobicContact CB-CH2 3.91Å; V80-W113 HydrophobicContact CG1-CH2 4.22Å; V80-W113 VanDerWaalsContact O-CZ3 3.27Å; V80-W113 WeakPolarHBondContact O-CZ3 2.76Å; R82-W113 HydrophobicContact CB-CH2 4.27Å; R82-W113 HydrophobicContact CB-CZ3 4.23Å; R82-W113 VanDerWaalsContact CD-CZ3 3.48Å; R82-W113 HydrophobicContact CG-CE3 3.89Å; R82-W113 HydrophobicContact CG-CH2 3.73Å; R82-W113 HydrophobicContact CG-CZ2 4.45Å; R82-W113 HydrophobicContact CG-CZ3 3.42Å; R82-W113 VanDerWaalsContact CG-CZ3 3.42Å; R82-W113 VanDerWaalsContact CZ-CG 3.46Å; R82-W113 VanDerWaalsContact NE-CE3 3.26Å; R82-W113 VanDerWaalsContact NH1-CZ2 3.32Å; R82-W113 VanDerWaalsContact NH2-CD2 3.26Å; L93-W113 HydrophobicContact CB-CE3 3.94Å; L93-W113 HydrophobicContact CB-CZ3 4.49Å; R95-W113 HydrophobicContact CB-CD2 3.31Å; R95-W113 HydrophobicContact CB-CE3 3.32Å; R95-W113 HydrophobicContact CB-CG 3.89Å; R95-W113 HydrophobicContact CB-CH2 3.85Å; R95-W113 HydrophobicContact CB-CZ2 3.85Å; R95-W113 HydrophobicContact CB-CZ3 3.57Å; R95-W113 HydrophobicContact CG-CD2 4.19Å; R95-W113 HydrophobicContact CG-CG 4.46Å; R95-W113 HydrophobicContact CG-CZ2 4.48Å |
| 114 | R | 64.8 | Low | 60.3 | Low | 188 Ų | 188 | 103 Ų | 103 | 71% | 0.709 | 55% | 0.554 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -132.5 | 145.3 | 174.9 | -64.1 | -172.6 | 174.9 | -141 | -1.3 | 109.2 | V94 A116 | V94-R114 PolarHBondContact N-O 3.48Å; V94-R114 PolarHBondContact O-N 3.47Å; V94-R114 VanDerWaalsContact O-O 3.11Å; R114-A116 PolarHBondContact O-N 2.82Å |
| 115 | T | 66.7 | Low | 59.5 | Low | 78 Ų | 78 | 98.8 Ų | 98.8 | 48% | 0.479 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 133.2 | 169.9 | -40.8 | 0 | 0 | 0 | 0 | 109.2 | L93 K117 | L93-T115 HydrophobicContact CD2-CG2 4.47Å; T115-K117 PolarHBondContact O-N 2.86Å |
| 116 | A | 63.7 | Low | 58.7 | Low | 31 Ų | 31 | 101.6 Ų | 101.6 | 26% | 0.256 | 52% | 0.523 | S | S | . | . | trans | -65.1 | 119.1 | 176 | 0 | 0 | 0 | 0 | 0 | 109 | L92 V94 R114 | L92-A116 HydrophobicContact CB-CB 4.17Å; L92-A116 HydrophobicContact CD2-CB 3.94Å; L92-A116 HydrophobicContact CG-CB 4.29Å; L92-A116 PolarHBondContact O-N 2.84Å; V94-A116 HydrophobicContact CG2-CB 3.81Å; R114-A116 PolarHBondContact O-N 2.82Å | ||
| 117 | K | 56.9 | Low | 58.3 | Low | 210 Ų | 210 | 100.4 Ų | 100.4 | 91% | 0.913 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -81.1 | -19.7 | 173.7 | -71.7 | -169.8 | 175.6 | -170.5 | 0 | 112.8 | T115 | T115-K117 PolarHBondContact O-N 2.86Š|
| 118 | T | 49.3 | Very low | 57.7 | Low | 97 Ų | 97 | 98.6 Ų | 98.6 | 60% | 0.595 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -127 | 139.5 | -177.4 | 43.7 | 0 | 0 | 0 | 0 | 110.2 | L120 | T118-L120 PolarHBondContact O-N 3.13Å; T118-L120 VanDerWaalsContact O-N 3.14Å |
| 119 | P | 52.4 | Low | 57.6 | Low | 97 Ų | 97 | 96.6 Ų | 96.6 | 63% | 0.63 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -54.3 | 117.5 | 172.6 | 21.3 | -31.2 | 0 | 0 | 0 | 109.8 | V138 | P119-V138 WeakPolarHBondContact CA-O 3.29Å; P119-V138 WeakPolarHBondContact CB-O 3.44Å |
| 120 | L | 52.9 | Low | 57.6 | Low | 37 Ų | 37 | 87.8 Ų | 87.8 | 19% | 0.194 | 49% | 0.494 | C | S | . | . | P | Polyproline II helix | trans | -88 | 128.8 | 177.9 | -82 | 171.5 | 0 | 0 | 0 | 108.7 | L92 V94 T118 A122 L125 S139 | L92-L120 HydrophobicContact CD2-CB 4.36Å; L92-L120 HydrophobicContact CD2-CD1 4.01Å; V94-L120 HydrophobicContact CB-CD1 4.36Å; V94-L120 HydrophobicContact CG1-CD1 4.18Å; V94-L120 HydrophobicContact CG2-CD1 3.28Å; T118-L120 PolarHBondContact O-N 3.13Å; T118-L120 VanDerWaalsContact O-N 3.14Å; L120-A122 PolarHBondContact O-N 3.06Å; L120-L125 HydrophobicContact CB-CD1 4.45Å; L120-L125 HydrophobicContact CB-CD2 4.19Å; L120-L125 HydrophobicContact CB-CG 4.48Å; L120-L125 HydrophobicContact CD1-CD2 4.13Å; L120-S139 PolarHBondContact O-OG 3.23Å |
| 121 | R | 54.4 | Low | 57.6 | Low | 218 Ų | 218 | 85.5 Ų | 85.5 | 82% | 0.823 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -47.5 | 129 | 173.5 | -78.8 | -174 | 174.6 | -169.4 | -1.4 | 111 | A123 R124 | R121-A123 PolarHBondContact O-N 2.79Å; R121-R124 PolarHBondContact O-N 3.39Å |
| 122 | A | 48.5 | Very low | 57.7 | Low | 31 Ų | 31 | 87.9 Ų | 87.9 | 26% | 0.256 | 50% | 0.499 | S | S | . | . | G | 310 helix | trans | -53.4 | -33.7 | -168.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L120 R124 L125 T126 A135 S139 | L120-A122 PolarHBondContact O-N 3.06Å; A122-R124 PolarHBondContact O-N 2.99Å; A122-R124 VanDerWaalsContact O-N 3.09Å; A122-L125 WeakPolarHBondContact O-CB 3.23Å; A122-L125 PolarHBondContact O-N 3.34Å; A122-T126 PolarHBondContact O-N 3.36Å; A122-A135 HydrophobicContact CB-CB 4.09Å; A122-S139 WeakPolarHBondContact CA-OG 3.44Å; A122-S139 VanDerWaalsContact CB-OG 3.23Å; A122-S139 WeakPolarHBondContact CB-OG 3.29Å; A122-S139 PolarHBondContact N-OG 2.86Å |
| 123 | A | 47.8 | Very low | 57.8 | Low | 88 Ų | 88 | 85.3 Ų | 85.3 | 73% | 0.727 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -57.7 | -21.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | R121 | R121-A123 PolarHBondContact O-N 2.79Š|
| 124 | R | 51.9 | Low | 57.8 | Low | 178 Ų | 178 | 82.2 Ų | 82.2 | 67% | 0.672 | 48% | 0.477 | S | S | * | . | G | 310 helix | trans | -88.6 | -6.5 | 174.4 | -82 | -170.5 | 170.4 | -126.7 | 0.5 | 114.2 | R121 A122 | R121-R124 PolarHBondContact O-N 3.39Å; A122-R124 PolarHBondContact O-N 2.99Å; A122-R124 VanDerWaalsContact O-N 3.09Å |
| 125 | L | 52.2 | Low | 57.8 | Low | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 44% | 0.443 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -32 | -172.2 | -58 | 178 | 0 | 0 | 0 | 112.6 | A81 L92 L120 A122 G127 S128 V130 A135 | A81-L125 HydrophobicContact CB-CD2 3.26Å; L92-L125 HydrophobicContact CD1-CD1 4.43Å; L92-L125 HydrophobicContact CD1-CD2 4.04Å; L92-L125 HydrophobicContact CD2-CD1 4.05Å; L92-L125 HydrophobicContact CD2-CD2 3.71Å; L92-L125 HydrophobicContact CG-CD2 4.47Å; L120-L125 HydrophobicContact CB-CD1 4.45Å; L120-L125 HydrophobicContact CB-CD2 4.19Å; L120-L125 HydrophobicContact CB-CG 4.48Å; L120-L125 HydrophobicContact CD1-CD2 4.13Å; A122-L125 WeakPolarHBondContact O-CB 3.23Å; A122-L125 PolarHBondContact O-N 3.34Å; L125-G127 VanDerWaalsContact C-N 3.29Å; L125-G127 PolarHBondContact O-N 3.31Å; L125-S128 PolarHBondContact O-N 3.08Å; L125-S128 VanDerWaalsContact O-N 3.08Å; L125-S128 PolarHBondContact O-OG 2.87Å; L125-V130 HydrophobicContact CB-CB 4Å; L125-V130 HydrophobicContact CB-CG1 4.2Å; L125-V130 HydrophobicContact CB-CG2 4.23Å; L125-A135 HydrophobicContact CB-CB 3.68Å; L125-A135 HydrophobicContact CD1-CB 3.7Å; L125-A135 HydrophobicContact CG-CB 4.29Å |
| 126 | T | 51.4 | Low | 57.7 | Low | 86 Ų | 86 | 70.5 Ų | 70.5 | 53% | 0.528 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | -64 | -28.3 | -177.4 | 38.5 | 0 | 0 | 0 | 0 | 113.9 | A122 S128 | A122-T126 PolarHBondContact O-N 3.36Å; T126-S128 VanDerWaalsContact C-N 3.26Å; T126-S128 PolarHBondContact O-N 3.4Å |
| 127 | G | 56.1 | Low | 57.8 | Low | 81 Ų | 81 | 70.2 Ų | 70.2 | 84% | 0.835 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -78.2 | -2.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | L125 | L125-G127 VanDerWaalsContact C-N 3.29Å; L125-G127 PolarHBondContact O-N 3.31Å |
| 128 | S | 59.7 | Low | 58.2 | Low | 30 Ų | 30 | 61.6 Ų | 61.6 | 21% | 0.21 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -119.8 | 9.8 | -170.8 | 44 | 0 | 0 | 0 | 0 | 115.3 | A81 L125 T126 | A81-S128 PolarHBondContact N-OG 3.3Å; A81-S128 VanDerWaalsContact O-CB 3.29Å; A81-S128 WeakPolarHBondContact O-CB 3.41Å; A81-S128 PolarHBondContact O-OG 2.8Å; L125-S128 PolarHBondContact O-N 3.08Å; L125-S128 VanDerWaalsContact O-N 3.08Å; L125-S128 PolarHBondContact O-OG 2.87Å; T126-S128 VanDerWaalsContact C-N 3.26Å; T126-S128 PolarHBondContact O-N 3.4Å |
| 129 | G | 58.3 | Low | 58.9 | Low | 75 Ų | 75 | 58.8 Ų | 58.8 | 77% | 0.773 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.2 | 16.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 130 | V | 63 | Low | 59.4 | Low | 9 Ų | 9 | 57.3 Ų | 57.3 | 6% | 0.055 | 38% | 0.375 | C | S | . | . | trans | -82 | 135.8 | 170.9 | -175.9 | 0 | 0 | 0 | 0 | 108.5 | A81 E83 L92 L125 F134 A135 | A81-V130 HydrophobicContact CB-CG2 3.85Å; A81-V130 WeakPolarHBondContact O-CG2 3.09Å; E83-V130 HydrophobicContact CB-CG1 4.42Å; L92-V130 HydrophobicContact CD1-CG1 4.16Å; L92-V130 HydrophobicContact CD1-CG2 4.19Å; L125-V130 HydrophobicContact CB-CB 4Å; L125-V130 HydrophobicContact CB-CG1 4.2Å; L125-V130 HydrophobicContact CB-CG2 4.23Å; V130-F134 HydrophobicContact CG1-CB 4.38Å; V130-F134 HydrophobicContact CG1-CD1 3.67Å; V130-A135 HydrophobicContact CG1-CB 4.36Å | ||
| 131 | S | 64.6 | Low | 59.7 | Low | 40 Ų | 40 | 59.1 Ų | 59.1 | 28% | 0.28 | 40% | 0.395 | S | S | . | . | trans | -60.5 | 142.1 | 178.3 | 71.4 | 0 | 0 | 0 | 0 | 110.9 | E83 T133 F134 A135 | E83-S131 PolarHBondContact OE2-OG 2.89Å; S131-T133 PolarHBondContact O-N 2.85Å; S131-F134 PolarHBondContact O-N 2.79Å; S131-F134 WeakPolarHBondContact OG-CB 3.5Å; S131-F134 PolarHBondContact OG-N 2.81Å; S131-A135 WeakPolarHBondContact O-CB 3.08Å; S131-A135 PolarHBondContact O-N 2.05Å | ||
| 132 | A | 66.1 | Low | 59.8 | Low | 72 Ų | 72 | 52.2 Ų | 52.2 | 60% | 0.595 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -58.7 | -39.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A135 A136 | A132-A135 PolarHBondContact O-N 2.8Å; A132-A136 WeakPolarHBondContact O-CB 3.08Å; A132-A136 PolarHBondContact O-N 2.82Å |
| 133 | T | 67.2 | Low | 60.4 | Low | 71 Ų | 71 | 54.9 Ų | 54.9 | 44% | 0.436 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.5 | -49.3 | 177 | -40.5 | 0 | 0 | 0 | 0 | 111.6 | S131 A135 A136 V137 L142 S146 | S131-T133 PolarHBondContact O-N 2.85Å; T133-A135 VanDerWaalsContact C-N 3.34Å; T133-A135 PolarHBondContact O-N 2.73Å; T133-A136 PolarHBondContact O-N 2.85Å; T133-V137 WeakPolarHBondContact O-CG2 3.23Å; T133-V137 PolarHBondContact O-N 2.9Å; T133-L142 HydrophobicContact CG2-CD1 4.46Å; T133-S146 WeakPolarHBondContact CG2-O 3.2Å |
| 134 | F | 65.4 | Low | 61 | Low | 10 Ų | 10 | 54.4 Ų | 54.4 | 4% | 0.044 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.3 | -37.2 | 177.5 | -172.5 | -106.1 | 0 | 0 | 0 | 112 | E83 S90 L92 V130 S131 A136 V137 V138 A147 | E83-F134 HydrophobicContact CB-CD1 3.82Å; E83-F134 HydrophobicContact CB-CE1 3.93Å; E83-F134 HydrophobicContact CB-CG 4.41Å; E83-F134 HydrophobicContact CG-CB 4.45Å; E83-F134 HydrophobicContact CG-CD1 3.57Å; E83-F134 HydrophobicContact CG-CD2 4.04Å; E83-F134 HydrophobicContact CG-CE1 3.65Å; E83-F134 HydrophobicContact CG-CE2 4.15Å; E83-F134 HydrophobicContact CG-CG 3.76Å; E83-F134 HydrophobicContact CG-CZ 3.96Å; E83-F134 WeakPolarHBondContact OE2-CB 3.45Å; E83-F134 WeakPolarHBondContact OE2-CG 3.48Å; S90-F134 VanDerWaalsContact CB-CE2 3.4Å; L92-F134 HydrophobicContact CB-CE1 3.76Å; L92-F134 HydrophobicContact CB-CZ 4.16Å; L92-F134 HydrophobicContact CD1-CD1 4.11Å; L92-F134 HydrophobicContact CD1-CE1 3.6Å; L92-F134 HydrophobicContact CG-CE1 4.28Å; V130-F134 HydrophobicContact CG1-CB 4.38Å; V130-F134 HydrophobicContact CG1-CD1 3.67Å; S131-F134 PolarHBondContact O-N 2.79Å; S131-F134 WeakPolarHBondContact OG-CB 3.5Å; S131-F134 PolarHBondContact OG-N 2.81Å; F134-A136 VanDerWaalsContact C-N 3.32Å; F134-A136 PolarHBondContact O-N 2.76Å; F134-V137 PolarHBondContact O-N 3.4Å; F134-V138 HydrophobicContact CD1-CG2 4Å; F134-V138 HydrophobicContact CD2-CG2 4.36Å; F134-V138 HydrophobicContact CE1-CG2 3.67Å; F134-V138 HydrophobicContact CE2-CG2 4.01Å; F134-V138 HydrophobicContact CG-CG2 4.35Å; F134-V138 HydrophobicContact CZ-CG2 3.66Å; F134-V138 WeakPolarHBondContact O-CB 3.33Å; F134-V138 VanDerWaalsContact O-CG2 3.27Å; F134-V138 WeakPolarHBondContact O-CG2 3.48Å; F134-V138 PolarHBondContact O-N 2.65Å; F134-A147 HydrophobicContact CD2-CB 4.33Å |
| 135 | A | 65 | Low | 61.6 | Low | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.008 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.4 | -39.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A122 L125 V130 S131 A132 T133 S139 | A122-A135 HydrophobicContact CB-CB 4.09Å; L125-A135 HydrophobicContact CB-CB 3.68Å; L125-A135 HydrophobicContact CD1-CB 3.7Å; L125-A135 HydrophobicContact CG-CB 4.29Å; V130-A135 HydrophobicContact CG1-CB 4.36Å; S131-A135 WeakPolarHBondContact O-CB 3.08Å; S131-A135 PolarHBondContact O-N 2.05Å; A132-A135 PolarHBondContact O-N 2.8Å; T133-A135 VanDerWaalsContact C-N 3.34Å; T133-A135 PolarHBondContact O-N 2.73Å; A135-S139 WeakPolarHBondContact O-CB 3.42Å; A135-S139 PolarHBondContact O-N 3.14Å; A135-S139 PolarHBondContact O-OG 2.82Å |
| 136 | A | 64.5 | Low | 61.9 | Low | 18 Ų | 18 | 55.6 Ų | 55.6 | 15% | 0.149 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -69 | -42.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A132 T133 F134 S139 G140 A141 L142 | A132-A136 WeakPolarHBondContact O-CB 3.08Å; A132-A136 PolarHBondContact O-N 2.82Å; T133-A136 PolarHBondContact O-N 2.85Å; F134-A136 VanDerWaalsContact C-N 3.32Å; F134-A136 PolarHBondContact O-N 2.76Å; A136-S139 PolarHBondContact O-N 3.26Å; A136-S139 VanDerWaalsContact O-N 3.14Å; A136-G140 PolarHBondContact O-N 2.86Å; A136-A141 HydrophobicContact CB-CB 4.38Å; A136-A141 PolarHBondContact O-N 3.31Å; A136-L142 HydrophobicContact CB-CB 4.37Å; A136-L142 HydrophobicContact CB-CD1 3.61Å; A136-L142 HydrophobicContact CB-CG 3.87Å; A136-L142 PolarHBondContact O-N 3.43Å |
| 137 | V | 65.6 | Low | 62.1 | Low | 26 Ų | 26 | 52.9 Ų | 52.9 | 16% | 0.158 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -61.8 | -48.4 | 173.5 | 169.4 | 0 | 0 | 0 | 0 | 111.3 | T133 F134 S139 G140 L142 P143 A147 | T133-V137 WeakPolarHBondContact O-CG2 3.23Å; T133-V137 PolarHBondContact O-N 2.9Å; F134-V137 PolarHBondContact O-N 3.4Å; V137-S139 PolarHBondContact O-N 2.92Å; V137-S139 VanDerWaalsContact O-N 3.15Å; V137-G140 PolarHBondContact O-N 3.34Å; V137-L142 HydrophobicContact CG2-CB 3.83Å; V137-P143 WeakPolarHBondContact CG2-O 3.39Å; V137-A147 HydrophobicContact CB-CB 4.14Å; V137-A147 HydrophobicContact CG1-CB 4.19Å; V137-A147 HydrophobicContact CG2-CB 3.78Å |
| 138 | V | 65.1 | Low | 62 | Low | 29 Ų | 29 | 56.4 Ų | 56.4 | 18% | 0.176 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -67.2 | -15.3 | 177.2 | 178.1 | 0 | 0 | 0 | 0 | 112.2 | L92 P119 F134 | L92-V138 HydrophobicContact CB-CG1 4.39Å; L92-V138 HydrophobicContact CB-CG2 4.37Å; L92-V138 HydrophobicContact CD2-CG1 3.7Å; P119-V138 WeakPolarHBondContact CA-O 3.29Å; P119-V138 WeakPolarHBondContact CB-O 3.44Å; F134-V138 HydrophobicContact CD1-CG2 4Å; F134-V138 HydrophobicContact CD2-CG2 4.36Å; F134-V138 HydrophobicContact CE1-CG2 3.67Å; F134-V138 HydrophobicContact CE2-CG2 4.01Å; F134-V138 HydrophobicContact CG-CG2 4.35Å; F134-V138 HydrophobicContact CZ-CG2 3.66Å; F134-V138 WeakPolarHBondContact O-CB 3.33Å; F134-V138 VanDerWaalsContact O-CG2 3.27Å; F134-V138 WeakPolarHBondContact O-CG2 3.48Å; F134-V138 PolarHBondContact O-N 2.65Å |
| 139 | S | 64 | Low | 62.1 | Low | 37 Ų | 37 | 57.7 Ų | 57.7 | 26% | 0.259 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -4.8 | 174 | -60 | 0 | 0 | 0 | 0 | 114 | L120 A122 A135 A136 V137 A141 | L120-S139 PolarHBondContact O-OG 3.23Å; A122-S139 WeakPolarHBondContact CA-OG 3.44Å; A122-S139 VanDerWaalsContact CB-OG 3.23Å; A122-S139 WeakPolarHBondContact CB-OG 3.29Å; A122-S139 PolarHBondContact N-OG 2.86Å; A135-S139 WeakPolarHBondContact O-CB 3.42Å; A135-S139 PolarHBondContact O-N 3.14Å; A135-S139 PolarHBondContact O-OG 2.82Å; A136-S139 PolarHBondContact O-N 3.26Å; A136-S139 VanDerWaalsContact O-N 3.14Å; V137-S139 PolarHBondContact O-N 2.92Å; V137-S139 VanDerWaalsContact O-N 3.15Å; S139-A141 PolarHBondContact O-N 3.15Å |
| 140 | G | 63.3 | Low | 62.3 | Low | 67 Ų | 67 | 56.8 Ų | 56.8 | 69% | 0.691 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.7 | 12.7 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | A136 V137 | A136-G140 PolarHBondContact O-N 2.86Å; V137-G140 PolarHBondContact O-N 3.34Å |
| 141 | A | 59.6 | Low | 62.2 | Low | 75 Ų | 75 | 59.4 Ų | 59.4 | 62% | 0.62 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -83.2 | -19.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A136 S139 | A136-A141 HydrophobicContact CB-CB 4.38Å; A136-A141 PolarHBondContact O-N 3.31Å; S139-A141 PolarHBondContact O-N 3.15Å |
| 142 | L | 57.6 | Low | 62.1 | Low | 72 Ų | 72 | 60.6 Ų | 60.6 | 38% | 0.377 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -130.2 | 147.2 | 173.2 | -70.9 | 176.1 | 0 | 0 | 0 | 109.6 | T133 A136 V137 | T133-L142 HydrophobicContact CG2-CD1 4.46Å; A136-L142 HydrophobicContact CB-CB 4.37Å; A136-L142 HydrophobicContact CB-CD1 3.61Å; A136-L142 HydrophobicContact CB-CG 3.87Å; A136-L142 PolarHBondContact O-N 3.43Å; V137-L142 HydrophobicContact CG2-CB 3.83Å |
| 143 | P | 59.1 | Low | 61.9 | Low | 87 Ų | 87 | 59.9 Ų | 59.9 | 57% | 0.565 | 41% | 0.414 | S | S | * | . | trans | -61.7 | 151.1 | 174.1 | 24.5 | -29.8 | 0 | 0 | 0 | 111 | V137 D145 S146 | V137-P143 WeakPolarHBondContact CG2-O 3.39Å; P143-D145 PolarHBondContact O-N 3Å; P143-D145 VanDerWaalsContact O-N 3.11Å; P143-S146 WeakPolarHBondContact CG-OG 3.38Å; P143-S146 WeakPolarHBondContact O-CB 3.41Å; P143-S146 PolarHBondContact O-N 2.72Å; P143-S146 PolarHBondContact O-OG 3.23Å | ||
| 144 | A | 61.2 | Low | 61.5 | Low | 78 Ų | 78 | 59.1 Ų | 59.1 | 65% | 0.645 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -57.5 | -30 | -173 | 0 | 0 | 0 | 0 | 0 | 113.8 | S146 A147 | A144-S146 PolarHBondContact O-N 3.45Å; A144-A147 PolarHBondContact O-N 3.03Å |
| 145 | D | 64.8 | Low | 61.2 | Low | 152 Ų | 152 | 62.6 Ų | 62.6 | 81% | 0.813 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -70.4 | -13.1 | 178.9 | -66.4 | -40.9 | 0 | 0 | 0 | 113.8 | P143 A147 | P143-D145 PolarHBondContact O-N 3Å; P143-D145 VanDerWaalsContact O-N 3.11Å; D145-A147 VanDerWaalsContact C-N 3.27Å; D145-A147 PolarHBondContact O-N 2.83Å |
| 146 | S | 58.9 | Low | 60.9 | Low | 51 Ų | 51 | 67.4 Ų | 67.4 | 36% | 0.357 | 47% | 0.472 | S | S | . | . | G | 310 helix | trans | -76.9 | -8.2 | 177.8 | -54.4 | 0 | 0 | 0 | 0 | 114 | T133 P143 A144 S148 | T133-S146 WeakPolarHBondContact CG2-O 3.2Å; P143-S146 WeakPolarHBondContact CG-OG 3.38Å; P143-S146 WeakPolarHBondContact O-CB 3.41Å; P143-S146 PolarHBondContact O-N 2.72Å; P143-S146 PolarHBondContact O-OG 3.23Å; A144-S146 PolarHBondContact O-N 3.45Å; S146-S148 PolarHBondContact O-N 3.34Å |
| 147 | A | 55.9 | Low | 60.7 | Low | 30 Ų | 30 | 71.5 Ų | 71.5 | 25% | 0.248 | 50% | 0.499 | C | S | . | . | trans | -98.6 | 68.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | F134 V137 A144 D145 | F134-A147 HydrophobicContact CD2-CB 4.33Å; V137-A147 HydrophobicContact CB-CB 4.14Å; V137-A147 HydrophobicContact CG1-CB 4.19Å; V137-A147 HydrophobicContact CG2-CB 3.78Å; A144-A147 PolarHBondContact O-N 3.03Å; D145-A147 VanDerWaalsContact C-N 3.27Å; D145-A147 PolarHBondContact O-N 2.83Å | ||
| 148 | S | 52.7 | Low | 60.2 | Low | 154 Ų | 154 | 75.6 Ų | 75.6 | 100% | 1.077 | 53% | 0.53 | S | S | * | . | trans | -99.4 | 0 | 168.2 | -68.7 | 0 | 0 | 0 | 0 | 111.2 | S146 | S146-S148 PolarHBondContact O-N 3.34Š|
Retrieved 148 of 148 residues in 127.5 ms
(Link to these results)