| 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 | 43.1 | Very low | 40.5 | Very low | 234 Ų | 234 | 121.9 Ų | 121.9 | 100% | 1.153 | 81% | 0.807 | S | S | * | * | 0 | 76 | 0 | -58.5 | 176.3 | 115.3 | 0 | 0 | 105.6 | |||||
| 2 | S | 41 | Very low | 40 | Very low | 129 Ų | 129 | 120.3 Ų | 120.3 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | 76.9 | 115.8 | 73.8 | -52.9 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 3 | G | 41.2 | Very low | 39.9 | Very low | 67 Ų | 67 | 118.8 Ų | 118.8 | 69% | 0.691 | 80% | 0.802 | S | S | * | * | cis | -130.7 | 175.2 | -2.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 4 | A | 40 | Very low | 39.5 | Very low | 101 Ų | 101 | 121.4 Ų | 121.4 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | cis | 61.3 | 139.4 | 31.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 5 | V | 39.8 | Very low | 39.2 | Very low | 141 Ų | 141 | 127.8 Ų | 127.8 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | cis | -167.5 | 157.8 | 4.7 | 103.5 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 6 | A | 37.5 | Very low | 38.8 | Very low | 87 Ų | 87 | 124.9 Ų | 124.9 | 72% | 0.719 | 79% | 0.791 | S | S | * | * | cis | -156.7 | -171.9 | -2.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 7 | V | 45.9 | Very low | 38.6 | Very low | 131 Ų | 131 | 123.9 Ų | 123.9 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | trans | -85.5 | 167.2 | 159 | -143.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 8 | P | 49.7 | Very low | 38.2 | Very low | 127 Ų | 127 | 125.8 Ų | 125.8 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | -141.8 | 173.9 | 79 | 30.8 | -9.9 | 0 | 0 | 0 | 113.3 | |||||
| 9 | G | 34.6 | Very low | 38.2 | Very low | 56 Ų | 56 | 123.3 Ų | 123.3 | 58% | 0.577 | 78% | 0.784 | S | S | * | * | cis | 132.6 | 133.4 | -2.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 10 | V | 37.6 | Very low | 38.9 | Very low | 138 Ų | 138 | 123.2 Ų | 123.2 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | trans | 57.9 | 157.2 | 165.1 | -88.2 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 11 | N | 35.3 | Very low | 38.7 | Very low | 130 Ų | 130 | 121.9 Ų | 121.9 | 70% | 0.695 | 78% | 0.784 | S | S | * | * | cis | -152.3 | 141 | 6.4 | -115.8 | -31 | 0 | 0 | 0 | 108.4 | ||||
| 12 | S | 34.3 | Very low | 38.4 | Very low | 103 Ų | 103 | 119.5 Ų | 119.5 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | 65.8 | 105.8 | 93.4 | -54.8 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 13 | A | 39.1 | Very low | 38.5 | Very low | 100 Ų | 100 | 118.2 Ų | 118.2 | 83% | 0.826 | 76% | 0.759 | S | S | * | * | trans | 37.3 | 130.1 | 145.3 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 14 | E | 34.1 | Very low | 38 | Very low | 156 Ų | 156 | 119.8 Ų | 119.8 | 73% | 0.729 | 76% | 0.759 | S | S | * | * | -169.7 | 168.6 | 98.9 | -125.1 | -166.1 | 104.2 | 0 | 0 | 114.9 | |||||
| 15 | R | 34.6 | Very low | 37.8 | Very low | 217 Ų | 217 | 122 Ų | 122 | 82% | 0.819 | 76% | 0.762 | S | S | * | * | trans | -15.9 | 153.5 | 170.2 | -66.7 | 176.9 | 170.2 | 126.7 | -15.6 | 119.8 | ||||
| 16 | A | 33.5 | Very low | 37.7 | Very low | 82 Ų | 82 | 123 Ų | 123 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | -170.6 | 167.6 | 53.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 17 | S | 34.3 | Very low | 37.5 | Very low | 107 Ų | 107 | 128.2 Ų | 128.2 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | trans | 34 | 143.2 | 146.5 | 58.8 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 18 | D | 33.1 | Very low | 36.9 | Very low | 159 Ų | 159 | 127.6 Ų | 127.6 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | cis | -160.5 | 173.8 | 11.8 | -140.8 | -29.5 | 0 | 0 | 0 | 111 | ||||
| 19 | A | 38.2 | Very low | 36.2 | Very low | 77 Ų | 77 | 128.2 Ų | 128.2 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | trans | -114.5 | -164.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 20 | P | 52.1 | Low | 36.1 | Very low | 122 Ų | 122 | 132.4 Ų | 132.4 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | cis | -137.8 | -167.6 | -8.9 | 40.3 | -20.4 | 0 | 0 | 0 | 114.7 | ||||
| 21 | A | 34.7 | Very low | 36.2 | Very low | 95 Ų | 95 | 131.4 Ų | 131.4 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | 113.6 | 120.4 | 141.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 22 | E | 35.1 | Very low | 36.1 | Very low | 184 Ų | 184 | 132.5 Ų | 132.5 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | trans | -85.7 | -164.3 | 158.6 | -54.9 | -133.3 | 142.9 | 0 | 0 | 109.6 | ||||
| 23 | P | 43.7 | Very low | 36.6 | Very low | 102 Ų | 102 | 135.1 Ų | 135.1 | 66% | 0.662 | 78% | 0.779 | S | S | * | * | cis | -142.5 | -178.3 | -0.1 | 42.5 | -21.7 | 0 | 0 | 0 | 117.6 | ||||
| 24 | S | 31.9 | Very low | 36.4 | Very low | 100 Ų | 100 | 138.6 Ų | 138.6 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | trans | 27 | 139.8 | 144.5 | 67 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 25 | V | 35.8 | Very low | 36.7 | Very low | 147 Ų | 147 | 136 Ų | 136 | 89% | 0.891 | 78% | 0.776 | S | S | * | * | -153.4 | 134.8 | 122.5 | -90.8 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 26 | D | 36.9 | Very low | 37.3 | Very low | 163 Ų | 163 | 134.5 Ų | 134.5 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | trans | -78.1 | 148.6 | 154.5 | -80.4 | -79.2 | 0 | 0 | 0 | 109.6 | ||||
| 27 | E | 34 | Very low | 38.1 | Very low | 197 Ų | 197 | 139.3 Ų | 139.3 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | trans | -139.1 | 150.4 | 154.5 | -157.8 | 173.8 | -170.9 | 0 | 0 | 110.2 | ||||
| 28 | V | 32.8 | Very low | 38.3 | Very low | 118 Ų | 118 | 142.9 Ų | 142.9 | 72% | 0.715 | 79% | 0.794 | S | S | * | * | trans | -139.3 | 145.6 | -153.1 | 88.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 29 | I | 34.6 | Very low | 38.5 | Very low | 140 Ų | 140 | 138.6 Ų | 138.6 | 72% | 0.718 | 79% | 0.787 | S | S | * | * | trans | 75 | 116.6 | 169.3 | -55.4 | 158.5 | 0 | 0 | 0 | 117.1 | ||||
| 30 | T | 32.8 | Very low | 38.7 | Very low | 144 Ų | 144 | 141 Ų | 141 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | -150.7 | 132.3 | 120.8 | 6.7 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 31 | V | 40.1 | Very low | 38.3 | Very low | 116 Ų | 116 | 141.5 Ų | 141.5 | 70% | 0.703 | 80% | 0.795 | S | S | * | * | trans | -92.1 | 129.5 | 170.7 | 169.8 | 0 | 0 | 0 | 0 | 107 | ||||
| 32 | D | 33.6 | Very low | 38.6 | Very low | 153 Ų | 153 | 142.4 Ų | 142.4 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -134.9 | 129.6 | 154 | -155.1 | -103.1 | 0 | 0 | 0 | 110.1 | ||||
| 33 | Q | 44.3 | Very low | 39 | Very low | 159 Ų | 159 | 140.7 Ų | 140.7 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | trans | -104.9 | 122.5 | 170 | -63.3 | 170.1 | 32.5 | 0 | 0 | 106.1 | ||||
| 34 | H | 35.2 | Very low | 38.6 | Very low | 173 Ų | 173 | 142 Ų | 142 | 80% | 0.801 | 79% | 0.792 | S | S | * | * | trans | -166.3 | 123.4 | 140.6 | -107.2 | 83.2 | 0 | 0 | 0 | 112.8 | ||||
| 35 | S | 40.3 | Very low | 39.2 | Very low | 100 Ų | 100 | 142.7 Ų | 142.7 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | trans | 36.4 | 107.4 | 139 | -53.9 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 36 | Q | 46.5 | Very low | 39.2 | Very low | 187 Ų | 187 | 140 Ų | 140 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | trans | -162.3 | 93.5 | 134.2 | -106.5 | 159.6 | 19.4 | 0 | 0 | 107.3 | ||||
| 37 | E | 49.7 | Very low | 39.5 | Very low | 183 Ų | 183 | 139.6 Ų | 139.6 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | 98.2 | 124.4 | 86 | -174 | 168 | -173.3 | 0 | 0 | 110.5 | G39 | E37-G39 PolarHBondContact O-N 2.99Š| |||
| 38 | M | 38.3 | Very low | 39.7 | Very low | 181 Ų | 181 | 138.9 Ų | 138.9 | 89% | 0.892 | 78% | 0.778 | S | S | * | * | trans | -71 | 97.2 | -176.7 | -68.4 | -79.4 | -155.4 | 0 | 0 | 109.8 | T40 | M38-T40 PolarHBondContact O-N 2.77Š| ||
| 39 | G | 38.8 | Very low | 40 | Very low | 69 Ų | 69 | 137.7 Ų | 137.7 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | trans | -60.7 | 102.4 | 171 | 0 | 0 | 0 | 0 | 0 | 111.1 | E37 V41 | E37-G39 PolarHBondContact O-N 2.99Å; G39-V41 PolarHBondContact O-N 3.16Å | ||
| 40 | T | 41.6 | Very low | 40.4 | Very low | 129 Ų | 129 | 135.5 Ų | 135.5 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | -63.5 | 104.1 | 174.5 | 6.7 | 0 | 0 | 0 | 0 | 109.6 | M38 T42 | M38-T40 PolarHBondContact O-N 2.77Å; T40-T42 PolarHBondContact O-N 2.97Å | ||
| 41 | V | 43.5 | Very low | 40.6 | Very low | 131 Ų | 131 | 138 Ų | 138 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | -68.3 | 97 | 172.2 | -178.9 | 0 | 0 | 0 | 0 | 108.6 | G39 I43 | G39-V41 PolarHBondContact O-N 3.16Å; V41-I43 PolarHBondContact O-N 3.02Å | ||
| 42 | T | 40.3 | Very low | 40.4 | Very low | 115 Ų | 115 | 139.8 Ų | 139.8 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | trans | -76.5 | 106.7 | 173.3 | 39.8 | 0 | 0 | 0 | 0 | 109.6 | T40 T44 | T40-T42 PolarHBondContact O-N 2.97Å; T42-T44 PolarHBondContact O-N 3.16Å; T42-T44 VanDerWaalsContact O-N 3.07Å | ||
| 43 | I | 43.9 | Very low | 41 | Very low | 147 Ų | 147 | 141.6 Ų | 141.6 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | trans | -77.3 | 92.4 | 173.2 | -56.9 | 174.9 | 0 | 0 | 0 | 108.3 | V41 V45 | V41-I43 PolarHBondContact O-N 3.02Å; I43-V45 HydrophobicContact CG2-CG2 4.12Å; I43-V45 PolarHBondContact O-N 3.46Å | ||
| 44 | T | 36.8 | Very low | 40.7 | Very low | 130 Ų | 130 | 142.2 Ų | 142.2 | 80% | 0.798 | 80% | 0.797 | S | S | * | * | trans | -78.9 | 98 | 168.6 | 33.4 | 0 | 0 | 0 | 0 | 110 | T42 A46 | T42-T44 PolarHBondContact O-N 3.16Å; T42-T44 VanDerWaalsContact O-N 3.07Å; T44-A46 PolarHBondContact O-N 3.15Å; T44-A46 VanDerWaalsContact O-N 3.16Å | ||
| 45 | V | 43.5 | Very low | 41 | Very low | 115 Ų | 115 | 139.8 Ų | 139.8 | 70% | 0.697 | 80% | 0.797 | S | S | * | * | trans | -71.4 | 106.2 | 171.3 | -177.4 | 0 | 0 | 0 | 0 | 108.8 | I43 I47 | I43-V45 HydrophobicContact CG2-CG2 4.12Å; I43-V45 PolarHBondContact O-N 3.46Å; V45-I47 HydrophobicContact CG1-CG1 4.17Å; V45-I47 PolarHBondContact O-N 3.03Å | ||
| 46 | A | 35.3 | Very low | 40.6 | Very low | 90 Ų | 90 | 143.7 Ų | 143.7 | 74% | 0.744 | 80% | 0.804 | S | S | * | * | trans | -75 | 101 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | T44 Q48 | T44-A46 PolarHBondContact O-N 3.15Å; T44-A46 VanDerWaalsContact O-N 3.16Å; A46-Q48 PolarHBondContact O-N 3.31Å; A46-Q48 VanDerWaalsContact O-N 3.17Å | ||
| 47 | I | 42.7 | Very low | 40 | Very low | 154 Ų | 154 | 143.8 Ų | 143.8 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | trans | -78.8 | 95.5 | 170.7 | -54.5 | 173.9 | 0 | 0 | 0 | 107.4 | V45 | V45-I47 HydrophobicContact CG1-CG1 4.17Å; V45-I47 PolarHBondContact O-N 3.03Å | ||
| 48 | Q | 40.1 | Very low | 39.1 | Very low | 182 Ų | 182 | 143.3 Ų | 143.3 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | trans | -78.1 | 117 | 162.5 | -79 | 178.2 | -23.1 | 0 | 0 | 108 | A46 A50 | A46-Q48 PolarHBondContact O-N 3.31Å; A46-Q48 VanDerWaalsContact O-N 3.17Å; Q48-A50 PolarHBondContact O-N 3.41Å | ||
| 49 | A | 38.4 | Very low | 38.8 | Very low | 94 Ų | 94 | 145.9 Ų | 145.9 | 78% | 0.777 | 80% | 0.802 | S | S | * | * | trans | -67.5 | 113.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 50 | A | 42.9 | Very low | 38.8 | Very low | 93 Ų | 93 | 148.7 Ų | 148.7 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | -83.1 | 131.2 | 161.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | Q48 | Q48-A50 PolarHBondContact O-N 3.41Š| ||
| 51 | E | 36.7 | Very low | 38.2 | Very low | 197 Ų | 197 | 146.2 Ų | 146.2 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | trans | -72.3 | 126.1 | 172.5 | -65.3 | 166.2 | 135 | 0 | 0 | 108 | ||||
| 52 | D | 36.5 | Very low | 37.6 | Very low | 154 Ų | 154 | 147.5 Ų | 147.5 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | trans | -114.3 | 102.8 | -176.4 | -154.6 | 11.9 | 0 | 0 | 0 | 107.5 | ||||
| 53 | E | 45.7 | Very low | 37.1 | Very low | 191 Ų | 191 | 148.2 Ų | 148.2 | 89% | 0.893 | 81% | 0.814 | S | S | * | * | trans | -90.2 | 99.8 | 173.7 | -73.2 | -152.6 | 150 | 0 | 0 | 109.9 | ||||
| 54 | E | 38.9 | Very low | 36.4 | Very low | 171 Ų | 171 | 149.2 Ų | 149.2 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 140.2 | 160.6 | -72.7 | -149.2 | 131.8 | 0 | 0 | 110.9 | ||
| 55 | P | 40.4 | Very low | 35.9 | Very low | 122 Ų | 122 | 147.7 Ų | 147.7 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 143.1 | 176.5 | 31.9 | -34.4 | 0 | 0 | 0 | 112.4 | ||
| 56 | E | 32.9 | Very low | 35.3 | Very low | 182 Ų | 182 | 149.1 Ų | 149.1 | 85% | 0.85 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 139.2 | -172.9 | -59 | -159.7 | 135.3 | 0 | 0 | 115.1 | ||
| 57 | E | 33.7 | Very low | 35.1 | Very low | 189 Ų | 189 | 156.2 Ų | 156.2 | 88% | 0.883 | 82% | 0.82 | S | S | * | * | trans | -93.5 | 112.3 | 155.5 | -81.2 | -160 | 150.1 | 0 | 0 | 110.2 | ||||
| 58 | E | 30.1 | Very low | 34.5 | Very low | 174 Ų | 174 | 152.4 Ų | 152.4 | 81% | 0.813 | 82% | 0.818 | S | S | * | * | trans | -75.1 | 127.3 | 171.5 | -69.1 | -170.9 | 150.3 | 0 | 0 | 112.3 | ||||
| 59 | R | 32.8 | Very low | 34.4 | Very low | 234 Ų | 234 | 148.8 Ų | 148.8 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | trans | -140.4 | 119 | 158.7 | -81.3 | -169.3 | 173.7 | -159.1 | -0 | 111.2 | ||||
| 60 | P | 38.4 | Very low | 33.9 | Very low | 128 Ų | 128 | 150.1 Ų | 150.1 | 83% | 0.831 | 82% | 0.815 | S | S | * | * | trans | -92.5 | 139.3 | 171.3 | 33.4 | -31.1 | 0 | 0 | 0 | 113.1 | ||||
| 61 | G | 28.8 | Very low | 33.5 | Very low | 78 Ų | 78 | 150.2 Ų | 150.2 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | 72.4 | 101.7 | 114.3 | 0 | 0 | 0 | 0 | 0 | 119 | |||||
| 62 | N | 30.4 | Very low | 33.3 | Very low | 157 Ų | 157 | 149.5 Ų | 149.5 | 84% | 0.84 | 81% | 0.807 | S | S | * | * | trans | -83.1 | 129.8 | 172.4 | 174.4 | 34 | 0 | 0 | 0 | 112.8 | ||||
| 63 | V | 30.1 | Very low | 33.2 | Very low | 130 Ų | 130 | 149.2 Ų | 149.2 | 79% | 0.788 | 81% | 0.806 | S | S | * | * | trans | -161.1 | 119.6 | 150 | -105.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 64 | E | 29.4 | Very low | 32.8 | Very low | 168 Ų | 168 | 147.7 Ų | 147.7 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | 73.7 | 129.8 | 125.9 | -155.9 | 132.8 | -134.1 | 0 | 0 | 124 | |||||
| 65 | C | 25.8 | Very low | 32.7 | Very low | 99 Ų | 99 | 147.1 Ų | 147.1 | 67% | 0.669 | 80% | 0.8 | S | S | * | * | trans | 87.9 | 113.8 | 144.7 | -97 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 66 | L | 30.5 | Very low | 32.3 | Very low | 145 Ų | 145 | 144.9 Ų | 144.9 | 76% | 0.759 | 80% | 0.799 | S | S | * | * | trans | 84.6 | 118.8 | 132.6 | -76.6 | 157.6 | 0 | 0 | 0 | 122.4 | ||||
| 67 | R | 32.3 | Very low | 32.8 | Very low | 239 Ų | 239 | 147.8 Ų | 147.8 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | trans | 86 | 117.4 | 131 | -174.9 | 179.9 | -75.4 | -156.1 | -3.7 | 119.6 | ||||
| 68 | G | 30.2 | Very low | 33.1 | Very low | 73 Ų | 73 | 146.9 Ų | 146.9 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | trans | 123.2 | 121.9 | 163.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 69 | S | 36.9 | Very low | 33.4 | Very low | 107 Ų | 107 | 145.7 Ų | 145.7 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | cis | 145.6 | 128.4 | -15.5 | -178.8 | 0 | 0 | 0 | 0 | 107 | ||||
| 70 | C | 28.2 | Very low | 34 | Very low | 121 Ų | 121 | 143.4 Ų | 143.4 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | 67.1 | 145.8 | 173.2 | -49.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 71 | S | 34.3 | Very low | 34.2 | Very low | 96 Ų | 96 | 141.9 Ų | 141.9 | 67% | 0.671 | 79% | 0.786 | S | S | * | * | cis | -165.3 | 148.7 | -17.4 | 47.7 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 72 | E | 33.3 | Very low | 34.8 | Very low | 181 Ų | 181 | 149.9 Ų | 149.9 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | 35.2 | 136.2 | 103 | -52.9 | -179.7 | 108.1 | 0 | 0 | 114.6 | |||||
| 73 | D | 34.1 | Very low | 35.3 | Very low | 149 Ų | 149 | 151 Ų | 151 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | cis | -152.5 | 151.3 | 14.9 | 46 | -88.4 | 0 | 0 | 0 | 109.7 | ||||
| 74 | E | 36.6 | Very low | 35.6 | Very low | 159 Ų | 159 | 151 Ų | 151 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | 74.3 | 127.2 | 71.4 | -129.1 | -160.4 | 108.8 | 0 | 0 | 118.5 | |||||
| 75 | L | 36.6 | Very low | 35.9 | Very low | 159 Ų | 159 | 146.8 Ų | 146.8 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | 77.3 | 137.9 | 160.9 | -55.3 | -179.2 | 0 | 0 | 0 | 122.3 | ||||
| 76 | G | 33 | Very low | 36.5 | Very low | 75 Ų | 75 | 146.9 Ų | 146.9 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | trans | -176.6 | 41.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | H78 | G76-H78 PolarHBondContact O-N 2.94Š| ||
| 77 | R | 43.5 | Very low | 37.1 | Very low | 242 Ų | 242 | 143.4 Ų | 143.4 | 91% | 0.913 | 81% | 0.806 | S | S | * | * | trans | -67.6 | 125.6 | 170.7 | -86.4 | -177.3 | 177.6 | -103.9 | 0.5 | 110.4 | ||||
| 78 | H | 39.9 | Very low | 37.4 | Very low | 171 Ų | 171 | 138.7 Ų | 138.7 | 79% | 0.792 | 80% | 0.804 | S | S | * | * | trans | -140.5 | 113 | 155.7 | -92.8 | -63.4 | 0 | 0 | 0 | 113.3 | G76 | G76-H78 PolarHBondContact O-N 2.94Š| ||
| 79 | D | 36.5 | Very low | 38 | Very low | 149 Ų | 149 | 141.1 Ų | 141.1 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | trans | -98.6 | 127.3 | 157.5 | -179.4 | -65.6 | 0 | 0 | 0 | 107.8 | ||||
| 80 | K | 45.5 | Very low | 38.1 | Very low | 185 Ų | 185 | 139 Ų | 139 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -148.8 | 109.9 | 159.3 | -75.8 | -169.5 | 179.9 | 162.3 | 0 | 110.5 | ||||
| 81 | S | 42.4 | Very low | 39.1 | Very low | 96 Ų | 96 | 137.2 Ų | 137.2 | 67% | 0.671 | 81% | 0.806 | S | S | * | * | trans | -68.2 | 138.6 | 162.6 | 173.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 82 | R | 41.8 | Very low | 39.4 | Very low | 246 Ų | 246 | 140.6 Ų | 140.6 | 93% | 0.928 | 81% | 0.812 | S | S | * | * | trans | -143.5 | 128 | 140.9 | -78.8 | -157.6 | 172.6 | -163.2 | -2.4 | 110.9 | ||||
| 83 | H | 41 | Very low | 40.2 | Very low | 181 Ų | 181 | 138.2 Ų | 138.2 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | trans | -89.8 | 137.8 | 161.6 | -93 | 50 | 0 | 0 | 0 | 109.8 | ||||
| 84 | S | 36.6 | Very low | 40.8 | Very low | 129 Ų | 129 | 140.4 Ų | 140.4 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | trans | 173.3 | 131 | 148.8 | -88.6 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 85 | G | 35.5 | Very low | 41.5 | Very low | 80 Ų | 80 | 139.6 Ų | 139.6 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | cis | 131.8 | 73.6 | 12.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 86 | A | 38.6 | Very low | 42.3 | Very low | 102 Ų | 102 | 139 Ų | 139 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | trans | -159.7 | 126.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 87 | G | 42 | Very low | 43.5 | Very low | 71 Ų | 71 | 140.9 Ų | 140.9 | 73% | 0.732 | 80% | 0.8 | S | S | * | * | trans | -99.2 | 144 | 159.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 88 | T | 39.8 | Very low | 44.7 | Very low | 140 Ų | 140 | 133.8 Ų | 133.8 | 86% | 0.859 | 77% | 0.773 | S | S | * | * | trans | 177.8 | 139.4 | 147.1 | 22.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 89 | S | 42.5 | Very low | 46.2 | Very low | 125 Ų | 125 | 133.4 Ų | 133.4 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | trans | 61.3 | 142.8 | 150.5 | -156.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 90 | G | 38.5 | Very low | 48 | Very low | 61 Ų | 61 | 130.1 Ų | 130.1 | 63% | 0.629 | 76% | 0.759 | S | S | * | * | trans | 83.6 | 118.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 91 | G | 48.6 | Very low | 49.5 | Very low | 84 Ų | 84 | 122.4 Ų | 122.4 | 87% | 0.866 | 73% | 0.728 | S | S | * | * | cis | 109.1 | -0.7 | 3.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 92 | E | 42.1 | Very low | 51.6 | Low | 168 Ų | 168 | 123.9 Ų | 123.9 | 79% | 0.785 | 73% | 0.728 | S | S | * | * | trans | -158.1 | 146.6 | 179.1 | 47.4 | -138 | 109.5 | 0 | 0 | 113.2 | ||||
| 93 | L | 50.1 | Low | 53.8 | Low | 130 Ų | 130 | 116.9 Ų | 116.9 | 68% | 0.681 | 71% | 0.713 | S | S | * | * | trans | 49.3 | 92.7 | 168.5 | -89.3 | 73.2 | 0 | 0 | 0 | 119.7 | E96 | L93-E96 HydrophobicContact CD2-CG 4.19Å; L93-E96 VanDerWaalsContact CD2-OE2 3.23Å; L93-E96 WeakPolarHBondContact CD2-OE2 3.3Å; L93-E96 WeakPolarHBondContact CG-OE2 3.49Å | ||
| 94 | E | 45.9 | Very low | 56.1 | Low | 195 Ų | 195 | 114.2 Ų | 114.2 | 91% | 0.911 | 70% | 0.7 | S | S | * | * | trans | -120.5 | 53.5 | 141.8 | -76.7 | -165.7 | 162.3 | 0 | 0 | 110.1 | ||||
| 95 | E | 51.7 | Low | 58.6 | Low | 142 Ų | 142 | 110 Ų | 110 | 66% | 0.664 | 67% | 0.667 | S | S | * | * | trans | -105.2 | -18.1 | 168.7 | -62 | -152.2 | 108.3 | 0 | 0 | 113.1 | S97 | E95-S97 PolarHBondContact O-N 3.23Å; E95-S97 VanDerWaalsContact O-N 3.16Å | ||
| 96 | E | 53.2 | Low | 61.3 | Low | 148 Ų | 148 | 106.9 Ų | 106.9 | 69% | 0.692 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | 15.3 | -165.9 | -95 | 55.4 | -142.6 | 0 | 0 | 117.3 | L93 | L93-E96 HydrophobicContact CD2-CG 4.19Å; L93-E96 VanDerWaalsContact CD2-OE2 3.23Å; L93-E96 WeakPolarHBondContact CD2-OE2 3.3Å; L93-E96 WeakPolarHBondContact CG-OE2 3.49Å |
| 97 | S | 57.3 | Low | 63.9 | Low | 114 Ų | 114 | 108.1 Ų | 108.1 | 80% | 0.797 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.8 | 12.7 | 177.4 | -172.6 | 0 | 0 | 0 | 0 | 114.6 | E95 Q99 | E95-S97 PolarHBondContact O-N 3.23Å; E95-S97 VanDerWaalsContact O-N 3.16Å; S97-Q99 PolarHBondContact O-N 3.33Å |
| 98 | W | 68.8 | Low | 66.3 | Low | 92 Ų | 92 | 109.8 Ų | 109.8 | 35% | 0.348 | 61% | 0.607 | S | S | . | * | trans | -88.2 | 97.9 | 168.1 | -172.4 | 77.3 | 0 | 0 | 0 | 109.9 | P100 T160 Y163 | W98-P100 HydrophobicContact CH2-CB 4.22Å; W98-P100 HydrophobicContact CZ3-CB 4.4Å; W98-T160 PolarHBondContact NE1-OG1 3.22Å; W98-Y163 AromaticContact CH2-CD1 3.86Å; W98-Y163 HydrophobicContact CH2-CD1 3.86Å; W98-Y163 AromaticContact CH2-CD2 3.46Å; W98-Y163 HydrophobicContact CH2-CD2 3.46Å; W98-Y163 VanDerWaalsContact CH2-CD2 3.46Å; W98-Y163 HydrophobicContact CH2-CE1 4.38Å; W98-Y163 HydrophobicContact CH2-CE2 4.04Å; W98-Y163 AromaticContact CH2-CG 3.35Å; W98-Y163 HydrophobicContact CH2-CG 3.35Å; W98-Y163 HydrophobicContact CZ2-CD1 4.4Å; W98-Y163 HydrophobicContact CZ2-CD2 4.41Å; W98-Y163 AromaticContact CZ2-CG 3.94Å; W98-Y163 HydrophobicContact CZ2-CG 3.94Å; W98-Y163 HydrophobicContact CZ3-CD2 4.02Å; W98-Y163 HydrophobicContact CZ3-CE2 4.38Å; W98-Y163 HydrophobicContact CZ3-CG 4.35Å | ||
| 99 | Q | 72.9 | Confident | 68.9 | Low | 164 Ų | 164 | 103.1 Ų | 103.1 | 77% | 0.766 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 143.9 | 169.9 | -64.6 | -141.7 | -8.8 | 0 | 0 | 110.8 | S97 | S97-Q99 PolarHBondContact O-N 3.33Š|
| 100 | P | 72.4 | Confident | 71.3 | Confident | 80 Ų | 80 | 97.9 Ų | 97.9 | 52% | 0.519 | 53% | 0.529 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 130.9 | 172.9 | 26.6 | -33.1 | 0 | 0 | 0 | 109.6 | W98 Y163 | W98-P100 HydrophobicContact CH2-CB 4.22Å; W98-P100 HydrophobicContact CZ3-CB 4.4Å; P100-Y163 HydrophobicContact CB-CE1 4.29Å |
| 101 | P | 78.7 | Confident | 73.9 | Confident | 23 Ų | 23 | 97.8 Ų | 97.8 | 15% | 0.149 | 52% | 0.523 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 160 | -178.5 | 30.3 | -38.8 | 0 | 0 | 0 | 112.4 | T103 L105 I106 T160 Y163 | P101-T103 PolarHBondContact O-N 3.35Å; P101-L105 HydrophobicContact CB-CD2 4.06Å; P101-I106 HydrophobicContact CB-CG1 4.49Å; P101-I106 HydrophobicContact CG-CD1 4.01Å; P101-I106 HydrophobicContact CG-CG1 3.68Å; P101-T160 HydrophobicContact CB-CG2 3.62Å; P101-T160 HydrophobicContact CG-CG2 3.52Å; P101-Y163 HydrophobicContact CG-CD1 4.41Å |
| 102 | D | 85.6 | Confident | 76.1 | Confident | 126 Ų | 126 | 95.3 Ų | 95.3 | 67% | 0.674 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -51.4 | 138.6 | 173.8 | -58.6 | -41.6 | 0 | 0 | 0 | 112.4 | E104 L105 I106 | D102-E104 PolarHBondContact O-N 3.35Å; D102-L105 HydrophobicContact CB-CB 4.38Å; D102-L105 WeakPolarHBondContact O-CA 3.32Å; D102-L105 WeakPolarHBondContact O-CB 3.42Å; D102-L105 PolarHBondContact O-N 3.09Å; D102-I106 PolarHBondContact O-N 3.42Å |
| 103 | T | 87.3 | Confident | 78.5 | Confident | 100 Ų | 100 | 87.3 Ų | 87.3 | 61% | 0.613 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -56.9 | -34.6 | -178.4 | -48 | 0 | 0 | 0 | 0 | 112.6 | P101 I106 Q107 | P101-T103 PolarHBondContact O-N 3.35Å; T103-I106 WeakPolarHBondContact O-CB 3.48Å; T103-I106 PolarHBondContact O-N 3.1Å; T103-Q107 WeakPolarHBondContact O-CG 3.49Å; T103-Q107 PolarHBondContact O-N 3.41Å |
| 104 | E | 89.9 | Confident | 80.5 | Confident | 124 Ų | 124 | 83.2 Ų | 83.2 | 58% | 0.579 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -63.8 | -40.9 | 173.4 | -68 | -169.1 | -157.7 | 0 | 0 | 113 | D102 I106 Q107 K108 | D102-E104 PolarHBondContact O-N 3.35Å; E104-I106 VanDerWaalsContact C-N 3.33Å; E104-Q107 PolarHBondContact O-N 3.19Å; E104-K108 WeakPolarHBondContact O-CB 3.45Å; E104-K108 WeakPolarHBondContact O-CD 3.1Å; E104-K108 VanDerWaalsContact O-CG 3.23Å; E104-K108 WeakPolarHBondContact O-CG 3.38Å; E104-K108 PolarHBondContact O-N 3.11Å; E104-K108 IonicContact OE2-NZ 2.84Å; E104-K108 PolarHBondContact OE2-NZ 3.02Å |
| 105 | L | 89.7 | Confident | 82.7 | Confident | 40 Ų | 40 | 78.4 Ų | 78.4 | 21% | 0.209 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -67.6 | -39.1 | 178.7 | -173.6 | 63.3 | 0 | 0 | 0 | 110.1 | P101 D102 K108 L109 L154 T155 | P101-L105 HydrophobicContact CB-CD2 4.06Å; D102-L105 HydrophobicContact CB-CB 4.38Å; D102-L105 WeakPolarHBondContact O-CA 3.32Å; D102-L105 WeakPolarHBondContact O-CB 3.42Å; D102-L105 PolarHBondContact O-N 3.09Å; L105-K108 PolarHBondContact O-N 2.66Å; L105-L109 HydrophobicContact CG-CD1 4.18Å; L105-L109 WeakPolarHBondContact O-CB 3.35Å; L105-L109 WeakPolarHBondContact O-CD1 3.45Å; L105-L109 WeakPolarHBondContact O-CG 3.4Å; L105-L109 PolarHBondContact O-N 3.16Å; L105-L154 HydrophobicContact CD1-CB 3.97Å; L105-L154 HydrophobicContact CD1-CD2 4.22Å; L105-T155 HydrophobicContact CD1-CG2 4.35Å; L105-T155 HydrophobicContact CD2-CG2 3.77Å; L105-T155 HydrophobicContact CG-CG2 4.19Å |
| 106 | I | 91.4 | Very high | 84.6 | Confident | 16 Ų | 16 | 72.9 Ų | 72.9 | 8% | 0.082 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -56.3 | -51.8 | 171.5 | -67.7 | 173.6 | 0 | 0 | 0 | 110.5 | P101 D102 T103 E104 K108 L109 V110 Y163 A164 H167 | P101-I106 HydrophobicContact CB-CG1 4.49Å; P101-I106 HydrophobicContact CG-CD1 4.01Å; P101-I106 HydrophobicContact CG-CG1 3.68Å; D102-I106 PolarHBondContact O-N 3.42Å; T103-I106 WeakPolarHBondContact O-CB 3.48Å; T103-I106 PolarHBondContact O-N 3.1Å; E104-I106 VanDerWaalsContact C-N 3.33Å; I106-K108 PolarHBondContact O-N 2.97Å; I106-L109 PolarHBondContact O-N 2.95Å; I106-V110 HydrophobicContact CG2-CG2 4.35Å; I106-V110 WeakPolarHBondContact O-CG2 3.35Å; I106-V110 PolarHBondContact O-N 2.85Å; I106-Y163 HydrophobicContact CD1-CD1 4.01Å; I106-Y163 HydrophobicContact CD1-CE1 3.79Å; I106-A164 HydrophobicContact CB-CB 4.24Å; I106-A164 HydrophobicContact CG1-CB 4.2Å; I106-A164 HydrophobicContact CG2-CB 3.95Å; I106-H167 HydrophobicContact CG2-CB 4.44Å |
| 107 | Q | 92.8 | Very high | 86.3 | Confident | 128 Ų | 128 | 66.1 Ų | 66.1 | 60% | 0.598 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -61.2 | -45.7 | -179.9 | -71.3 | 173.6 | 1.4 | 0 | 0 | 112 | T103 E104 L109 V110 A111 | T103-Q107 WeakPolarHBondContact O-CG 3.49Å; T103-Q107 PolarHBondContact O-N 3.41Å; E104-Q107 PolarHBondContact O-N 3.19Å; Q107-L109 VanDerWaalsContact C-N 3.33Å; Q107-L109 PolarHBondContact O-N 2.99Å; Q107-V110 PolarHBondContact O-N 3.26Å; Q107-A111 WeakPolarHBondContact O-CB 3.37Å; Q107-A111 PolarHBondContact O-N 3.48Å |
| 108 | K | 93.7 | Very high | 87.8 | Confident | 105 Ų | 105 | 62.1 Ų | 62.1 | 46% | 0.457 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.3 | -40 | 176.5 | -70.1 | 161.4 | -170.9 | 161.9 | 0 | 111.8 | E104 L105 I106 Q112 L154 | E104-K108 WeakPolarHBondContact O-CB 3.45Å; E104-K108 WeakPolarHBondContact O-CD 3.1Å; E104-K108 VanDerWaalsContact O-CG 3.23Å; E104-K108 WeakPolarHBondContact O-CG 3.38Å; E104-K108 PolarHBondContact O-N 3.11Å; E104-K108 IonicContact OE2-NZ 2.84Å; E104-K108 PolarHBondContact OE2-NZ 3.02Å; L105-K108 PolarHBondContact O-N 2.66Å; I106-K108 PolarHBondContact O-N 2.97Å; K108-Q112 VanDerWaalsContact O-CB 3.24Å; K108-Q112 WeakPolarHBondContact O-CB 3.31Å; K108-Q112 PolarHBondContact O-N 2.93Å; K108-Q112 VanDerWaalsContact O-N 3.17Å; K108-L154 HydrophobicContact CB-CD1 4.07Å; K108-L154 HydrophobicContact CB-CD2 4.34Å |
| 109 | L | 93.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -68.2 | -45.9 | 175.5 | -73.1 | 167.2 | 0 | 0 | 0 | 112.6 | L105 I106 Q107 Q112 I113 V151 L154 T155 A164 | L105-L109 HydrophobicContact CG-CD1 4.18Å; L105-L109 WeakPolarHBondContact O-CB 3.35Å; L105-L109 WeakPolarHBondContact O-CD1 3.45Å; L105-L109 WeakPolarHBondContact O-CG 3.4Å; L105-L109 PolarHBondContact O-N 3.16Å; I106-L109 PolarHBondContact O-N 2.95Å; Q107-L109 VanDerWaalsContact C-N 3.33Å; Q107-L109 PolarHBondContact O-N 2.99Å; L109-Q112 PolarHBondContact O-N 3.04Å; L109-I113 VanDerWaalsContact O-CG1 3.32Å; L109-I113 WeakPolarHBondContact O-CG1 3.38Å; L109-I113 PolarHBondContact O-N 2.79Å; L109-V151 HydrophobicContact CD2-CG1 3.83Å; L109-L154 HydrophobicContact CD2-CB 3.81Å; L109-L154 HydrophobicContact CD2-CD1 3.96Å; L109-L154 HydrophobicContact CG-CB 4.42Å; L109-L154 HydrophobicContact CG-CD1 4.29Å; L109-T155 HydrophobicContact CD1-CG2 3.87Å; L109-T155 HydrophobicContact CD2-CG2 4.36Å; L109-A164 HydrophobicContact CB-CB 4.02Å; L109-A164 HydrophobicContact CD1-CB 4Å |
| 110 | V | 93.3 | Very high | 89.2 | Confident | 16 Ų | 16 | 59.7 Ų | 59.7 | 10% | 0.097 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.6 | -54.6 | 179.1 | 169.6 | 0 | 0 | 0 | 0 | 110 | I106 Q107 Q112 I113 E114 A164 | I106-V110 HydrophobicContact CG2-CG2 4.35Å; I106-V110 WeakPolarHBondContact O-CG2 3.35Å; I106-V110 PolarHBondContact O-N 2.85Å; Q107-V110 PolarHBondContact O-N 3.26Å; V110-Q112 VanDerWaalsContact C-N 3.26Å; V110-Q112 PolarHBondContact O-N 3.38Å; V110-I113 PolarHBondContact O-N 3.44Å; V110-I113 VanDerWaalsContact O-N 3.09Å; V110-E114 HydrophobicContact CG1-CG 4.12Å; V110-E114 WeakPolarHBondContact CG1-OE2 3.35Å; V110-E114 WeakPolarHBondContact O-CB 3.09Å; V110-E114 WeakPolarHBondContact O-CG 3.42Å; V110-E114 PolarHBondContact O-N 2.84Å; V110-A164 HydrophobicContact CG2-CB 4.28Å; V110-A164 WeakPolarHBondContact CG2-O 3.39Å |
| 111 | A | 93.6 | Very high | 89.9 | Confident | 59 Ų | 59 | 57.1 Ų | 57.1 | 49% | 0.488 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -56.3 | -40.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | Q107 F115 | Q107-A111 WeakPolarHBondContact O-CB 3.37Å; Q107-A111 PolarHBondContact O-N 3.48Å; A111-F115 VanDerWaalsContact O-CB 3.29Å; A111-F115 WeakPolarHBondContact O-CB 3.38Å; A111-F115 PolarHBondContact O-N 2.89Å |
| 112 | Q | 93.9 | Very high | 90.2 | Very high | 32 Ų | 32 | 56 Ų | 56 | 15% | 0.15 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -71 | -31.3 | 179.9 | -171.7 | 52.7 | 78.1 | 0 | 0 | 113.5 | K108 L109 V110 Y116 K150 V151 | K108-Q112 VanDerWaalsContact O-CB 3.24Å; K108-Q112 WeakPolarHBondContact O-CB 3.31Å; K108-Q112 PolarHBondContact O-N 2.93Å; K108-Q112 VanDerWaalsContact O-N 3.17Å; L109-Q112 PolarHBondContact O-N 3.04Å; V110-Q112 VanDerWaalsContact C-N 3.26Å; V110-Q112 PolarHBondContact O-N 3.38Å; Q112-Y116 HydrophobicContact CG-CD2 4.2Å; Q112-Y116 HydrophobicContact CG-CE2 3.81Å; Q112-Y116 WeakPolarHBondContact O-CD2 3.31Å; Q112-Y116 PolarHBondContact O-N 3.04Å; Q112-Y116 VanDerWaalsContact O-N 3.13Å; Q112-K150 VanDerWaalsContact CD-CD 3.49Å; Q112-K150 HydrophobicContact CG-CB 3.78Å; Q112-K150 HydrophobicContact CG-CD 4.46Å; Q112-V151 HydrophobicContact CG-CG2 4.06Å |
| 113 | I | 92.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -84.9 | -35.3 | 178.3 | -64.2 | 168.2 | 0 | 0 | 0 | 111.3 | L109 V110 F115 Y116 L117 L145 V151 T161 L165 L171 | L109-I113 VanDerWaalsContact O-CG1 3.32Å; L109-I113 WeakPolarHBondContact O-CG1 3.38Å; L109-I113 PolarHBondContact O-N 2.79Å; V110-I113 PolarHBondContact O-N 3.44Å; V110-I113 VanDerWaalsContact O-N 3.09Å; I113-F115 VanDerWaalsContact C-N 3.31Å; I113-Y116 PolarHBondContact O-N 2.92Å; I113-L117 HydrophobicContact CG2-CD1 4.11Å; I113-L117 PolarHBondContact O-N 3.16Å; I113-L145 HydrophobicContact CG2-CD1 3.86Å; I113-V151 HydrophobicContact CD1-CG2 4.26Å; I113-V151 HydrophobicContact CG1-CG2 3.8Å; I113-T161 HydrophobicContact CD1-CG2 3.36Å; I113-L165 HydrophobicContact CB-CD2 4.03Å; I113-L165 HydrophobicContact CD1-CD1 4.16Å; I113-L165 HydrophobicContact CD1-CD2 4Å; I113-L165 HydrophobicContact CD1-CG 4.2Å; I113-L165 HydrophobicContact CG2-CD2 3.76Å; I113-L171 HydrophobicContact CG2-CD1 3.85Å |
| 114 | E | 92.7 | Very high | 89.7 | Confident | 43 Ų | 43 | 57.4 Ų | 57.4 | 20% | 0.201 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.8 | -40.9 | 168.3 | -72.7 | -176.9 | 152.7 | 0 | 0 | 110.5 | V110 L117 S118 S168 K169 I170 L171 | V110-E114 HydrophobicContact CG1-CG 4.12Å; V110-E114 WeakPolarHBondContact CG1-OE2 3.35Å; V110-E114 WeakPolarHBondContact O-CB 3.09Å; V110-E114 WeakPolarHBondContact O-CG 3.42Å; V110-E114 PolarHBondContact O-N 2.84Å; E114-L117 CarbonylContact O-C 3.56Å; E114-L117 PolarHBondContact O-N 3.16Å; E114-S118 PolarHBondContact O-N 2.71Å; E114-S168 WeakPolarHBondContact OE1-CB 3.26Å; E114-K169 PolarHBondContact OE1-N 3.41Å; E114-I170 HydrophobicContact CB-CD1 4.47Å; E114-I170 HydrophobicContact CG-CB 4.34Å; E114-I170 HydrophobicContact CG-CD1 4.32Å; E114-I170 WeakPolarHBondContact OE1-CB 3.26Å; E114-I170 PolarHBondContact OE1-N 3.34Å; E114-L171 HydrophobicContact CG-CD1 3.86Å; E114-L171 HydrophobicContact CG-CG 4.08Å |
| 115 | F | 92.5 | Very high | 89.5 | Confident | 94 Ų | 94 | 53.5 Ų | 53.5 | 41% | 0.412 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.5 | -45.9 | 169.8 | 178.3 | -89.3 | 0 | 0 | 0 | 112.6 | A111 I113 L117 S118 N121 | A111-F115 VanDerWaalsContact O-CB 3.29Å; A111-F115 WeakPolarHBondContact O-CB 3.38Å; A111-F115 PolarHBondContact O-N 2.89Å; I113-F115 VanDerWaalsContact C-N 3.31Å; F115-L117 PolarHBondContact O-N 3.17Å; F115-S118 VanDerWaalsContact O-CB 3.27Å; F115-S118 WeakPolarHBondContact O-CB 3.45Å; F115-S118 PolarHBondContact O-N 3.5Å; F115-S118 VanDerWaalsContact O-N 3.12Å; F115-S118 PolarHBondContact O-OG 2.88Å; F115-N121 HydrophobicContact CE1-CB 4.37Å; F115-N121 VanDerWaalsContact O-CB 3.26Å; F115-N121 WeakPolarHBondContact O-CB 3.3Å |
| 116 | Y | 90.7 | Very high | 89.2 | Confident | 27 Ų | 27 | 53.3 Ų | 53.3 | 11% | 0.106 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.8 | -28 | 179.7 | -77.9 | -48.1 | 0 | 0 | 0 | 113.5 | Q112 I113 N121 L128 F148 K150 V151 | Q112-Y116 HydrophobicContact CG-CD2 4.2Å; Q112-Y116 HydrophobicContact CG-CE2 3.81Å; Q112-Y116 WeakPolarHBondContact O-CD2 3.31Å; Q112-Y116 PolarHBondContact O-N 3.04Å; Q112-Y116 VanDerWaalsContact O-N 3.13Å; I113-Y116 PolarHBondContact O-N 2.92Å; Y116-N121 PolarHBondContact O-ND2 3.31Å; Y116-L128 VanDerWaalsContact O-CD1 3.3Å; Y116-L128 WeakPolarHBondContact O-CD1 3.43Å; Y116-F148 AromaticContact CD2-CD2 3.81Å; Y116-F148 HydrophobicContact CD2-CD2 3.81Å; Y116-F148 HydrophobicContact CD2-CE2 4.49Å; Y116-F148 HydrophobicContact CE2-CB 4.02Å; Y116-F148 AromaticContact CE2-CD2 3.88Å; Y116-F148 HydrophobicContact CE2-CD2 3.88Å; Y116-F148 HydrophobicContact CE2-CG 4.45Å; Y116-F148 HydrophobicContact CG-CD2 4.18Å; Y116-F148 HydrophobicContact CG-CE2 4.49Å; Y116-K150 HydrophobicContact CE2-CB 4.38Å; Y116-K150 WeakPolarHBondContact OH-CB 3.36Å; Y116-K150 WeakPolarHBondContact OH-CG 3.25Å; Y116-V151 HydrophobicContact CD2-CG2 4.36Å; Y116-V151 HydrophobicContact CE2-CG2 4.05Å |
| 117 | L | 88.8 | Confident | 89 | Confident | 6 Ų | 6 | 57.4 Ų | 57.4 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 10.7 | 176 | -64.4 | 172.6 | 0 | 0 | 0 | 112.5 | I113 E114 F115 L122 L171 V180 R182 | I113-L117 HydrophobicContact CG2-CD1 4.11Å; I113-L117 PolarHBondContact O-N 3.16Å; E114-L117 CarbonylContact O-C 3.56Å; E114-L117 PolarHBondContact O-N 3.16Å; F115-L117 PolarHBondContact O-N 3.17Å; L117-L122 WeakPolarHBondContact O-CD1 3.41Å; L117-L171 HydrophobicContact CB-CD2 4.08Å; L117-L171 HydrophobicContact CD1-CD1 3.93Å; L117-L171 HydrophobicContact CD1-CD2 3.65Å; L117-L171 HydrophobicContact CD1-CG 4.43Å; L117-V180 HydrophobicContact CD1-CG1 4.28Å; L117-R182 HydrophobicContact CB-CG 4.18Å; L117-R182 WeakPolarHBondContact O-CD 3.38Å; L117-R182 VanDerWaalsContact O-CZ 3.3Å; L117-R182 PolarHBondContact O-NE 3.13Å; L117-R182 PolarHBondContact O-NH1 3.45Å |
| 118 | S | 88.3 | Confident | 88.7 | Confident | 29 Ų | 29 | 51.3 Ų | 51.3 | 20% | 0.203 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -65.8 | 165.6 | 173.1 | 81.2 | 0 | 0 | 0 | 0 | 111 | E114 F115 N121 L122 | E114-S118 PolarHBondContact O-N 2.71Å; F115-S118 VanDerWaalsContact O-CB 3.27Å; F115-S118 WeakPolarHBondContact O-CB 3.45Å; F115-S118 PolarHBondContact O-N 3.5Å; F115-S118 VanDerWaalsContact O-N 3.12Å; F115-S118 PolarHBondContact O-OG 2.88Å; S118-N121 WeakPolarHBondContact OG-CB 3.33Å; S118-N121 PolarHBondContact OG-N 2.89Å; S118-N121 VanDerWaalsContact OG-N 3.14Å; S118-L122 VanDerWaalsContact O-CB 3.3Å; S118-L122 WeakPolarHBondContact O-CB 3.28Å; S118-L122 VanDerWaalsContact O-CG 3.32Å; S118-L122 WeakPolarHBondContact O-CG 3.49Å; S118-L122 PolarHBondContact O-N 3.47Å |
| 119 | D | 85.8 | Confident | 88.3 | Confident | 64 Ų | 64 | 46.3 Ų | 46.3 | 34% | 0.342 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -68.8 | -46.8 | 179.6 | -66.8 | -50.7 | 0 | 0 | 0 | 112.1 | N121 L122 E123 R182 P187 F189 | D119-N121 PolarHBondContact O-N 3.05Å; D119-L122 PolarHBondContact O-N 3.19Å; D119-E123 PolarHBondContact O-N 3.32Å; D119-R182 IonicContact OD1-CZ 2.73Å; D119-R182 IonicContact OD1-NH1 3.19Å; D119-R182 PolarHBondContact OD1-NH1 3.25Å; D119-R182 IonicContact OD1-NH2 3.8Å; D119-R182 PolarHBondContact OD1-NH2 3.09Å; D119-R182 IonicContact OD2-CZ 3.57Å; D119-R182 IonicContact OD2-NH1 2.69Å; D119-R182 IonicContact OD2-NH2 3.65Å; D119-R182 PolarHBondContact OD2-NH2 3.37Å; D119-P187 HydrophobicContact CB-CG 4.46Å; D119-P187 WeakPolarHBondContact OD1-CD 3.26Å; D119-P187 WeakPolarHBondContact OD1-CG 2.92Å; D119-F189 HydrophobicContact CB-CE1 4.23Å; D119-F189 HydrophobicContact CB-CZ 3.97Å; D119-F189 VanDerWaalsContact O-CE1 3.26Å; D119-F189 WeakPolarHBondContact O-CE1 3.2Å; D119-F189 WeakPolarHBondContact O-CZ 3.29Å |
| 120 | E | 86.1 | Confident | 87.9 | Confident | 141 Ų | 141 | 51 Ų | 51 | 66% | 0.659 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -54.3 | -47.9 | 174.4 | -61.4 | 166.2 | -166.7 | 0 | 0 | 112.3 | E123 H124 | E120-E123 PolarHBondContact O-N 2.96Å; E120-H124 PolarHBondContact O-CD2 2.86Å; E120-H124 PolarHBondContact O-N 3.44Å |
| 121 | N | 87.8 | Confident | 87.6 | Confident | 27 Ų | 27 | 52.8 Ų | 52.8 | 14% | 0.144 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -73.7 | -31.6 | -178.6 | -171.8 | 86 | 0 | 0 | 0 | 112.1 | F115 Y116 S118 D119 D125 | F115-N121 HydrophobicContact CE1-CB 4.37Å; F115-N121 VanDerWaalsContact O-CB 3.26Å; F115-N121 WeakPolarHBondContact O-CB 3.3Å; Y116-N121 PolarHBondContact O-ND2 3.31Å; S118-N121 WeakPolarHBondContact OG-CB 3.33Å; S118-N121 PolarHBondContact OG-N 2.89Å; S118-N121 VanDerWaalsContact OG-N 3.14Å; D119-N121 PolarHBondContact O-N 3.05Å; N121-D125 WeakPolarHBondContact O-CA 3.46Å; N121-D125 WeakPolarHBondContact O-CB 3.3Å; N121-D125 PolarHBondContact O-N 3.46Å |
| 122 | L | 85 | Confident | 87.2 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -75.1 | -24 | 176.2 | -78.1 | 169.9 | 0 | 0 | 0 | 113.5 | L117 S118 D119 L128 V132 V186 F189 | L117-L122 WeakPolarHBondContact O-CD1 3.41Å; S118-L122 VanDerWaalsContact O-CB 3.3Å; S118-L122 WeakPolarHBondContact O-CB 3.28Å; S118-L122 VanDerWaalsContact O-CG 3.32Å; S118-L122 WeakPolarHBondContact O-CG 3.49Å; S118-L122 PolarHBondContact O-N 3.47Å; D119-L122 PolarHBondContact O-N 3.19Å; L122-L128 HydrophobicContact CD2-CB 3.8Å; L122-V132 HydrophobicContact CD2-CG2 4.22Å; L122-V186 HydrophobicContact CD1-CG1 4.44Å; L122-F189 HydrophobicContact CB-CD2 4.3Å; L122-F189 HydrophobicContact CB-CE2 3.62Å; L122-F189 HydrophobicContact CB-CZ 3.92Å; L122-F189 HydrophobicContact CD1-CE2 4.44Å |
| 123 | E | 81.7 | Confident | 86.7 | Confident | 99 Ų | 99 | 53.5 Ų | 53.5 | 46% | 0.463 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.9 | -45.4 | 170.3 | -177.1 | 164.5 | -170.9 | 0 | 0 | 111.5 | D119 E120 F189 | D119-E123 PolarHBondContact O-N 3.32Å; E120-E123 PolarHBondContact O-N 2.96Å; E123-F189 HydrophobicContact CB-CD1 3.67Å; E123-F189 HydrophobicContact CB-CE1 3.94Å; E123-F189 HydrophobicContact CB-CG 4.48Å; E123-F189 HydrophobicContact CG-CD1 4.18Å |
| 124 | H | 80.4 | Confident | 86.2 | Confident | 155 Ų | 155 | 63.1 Ų | 63.1 | 72% | 0.718 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -82.8 | -36.8 | -178.3 | -61 | -43.3 | 0 | 0 | 0 | 113.9 | E120 A126 | E120-H124 PolarHBondContact O-CD2 2.86Å; E120-H124 PolarHBondContact O-N 3.44Å; H124-A126 PolarHBondContact O-N 2.88Å; H124-A126 VanDerWaalsContact O-N 3.11Å |
| 125 | D | 86 | Confident | 85.8 | Confident | 43 Ų | 43 | 64.3 Ų | 64.3 | 23% | 0.23 | 30% | 0.299 | C | S | . | . | trans | -85.4 | 83.9 | 179.7 | -169.6 | -16.5 | 0 | 0 | 0 | 112.2 | N121 F127 L128 L129 | N121-D125 WeakPolarHBondContact O-CA 3.46Å; N121-D125 WeakPolarHBondContact O-CB 3.3Å; N121-D125 PolarHBondContact O-N 3.46Å; D125-F127 PolarHBondContact O-N 3.04Å; D125-F127 VanDerWaalsContact O-N 3.09Å; D125-F127 WeakPolarHBondContact OD1-CA 3.27Å; D125-F127 VanDerWaalsContact OD1-CB 3.25Å; D125-F127 WeakPolarHBondContact OD1-CB 3.25Å; D125-F127 PolarHBondContact OD1-N 3.19Å; D125-L128 HydrophobicContact CB-CB 4.19Å; D125-L128 HydrophobicContact CB-CD1 4.42Å; D125-L128 PolarHBondContact O-N 3.36Å; D125-L128 PolarHBondContact OD1-N 2.94Å; D125-L128 WeakPolarHBondContact OD2-CD1 3.24Å; D125-L128 WeakPolarHBondContact OD2-CG 3.4Å; D125-L129 WeakPolarHBondContact O-CB 3.42Å; D125-L129 PolarHBondContact O-N 2.92Å | ||
| 126 | A | 82.4 | Confident | 85 | Confident | 35 Ų | 35 | 70.3 Ų | 70.3 | 29% | 0.289 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.6 | -12.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | H124 K130 | H124-A126 PolarHBondContact O-N 2.88Å; H124-A126 VanDerWaalsContact O-N 3.11Å; A126-K130 WeakPolarHBondContact O-CD 3.07Å; A126-K130 WeakPolarHBondContact O-CG 3.47Å; A126-K130 PolarHBondContact O-N 3.21Å; A126-K130 PolarHBondContact O-NZ 3.39Å |
| 127 | F | 86.8 | Confident | 84.3 | Confident | 103 Ų | 103 | 74.3 Ų | 74.3 | 45% | 0.452 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -83.7 | -44.2 | 174.1 | 171.5 | -88.4 | 0 | 0 | 0 | 111.3 | D125 H131 L144 F148 | D125-F127 PolarHBondContact O-N 3.04Å; D125-F127 VanDerWaalsContact O-N 3.09Å; D125-F127 WeakPolarHBondContact OD1-CA 3.27Å; D125-F127 VanDerWaalsContact OD1-CB 3.25Å; D125-F127 WeakPolarHBondContact OD1-CB 3.25Å; D125-F127 PolarHBondContact OD1-N 3.19Å; F127-H131 AromaticContact CE1-CE1 3.86Å; F127-H131 AromaticContact CE1-ND1 3.86Å; F127-H131 AromaticContact CE2-CE1 3.49Å; F127-H131 VanDerWaalsContact CE2-CE1 3.49Å; F127-H131 WeakPolarHBondContact CE2-CE1 3.47Å; F127-H131 AromaticContact CZ-CE1 3.36Å; F127-H131 WeakPolarHBondContact CZ-CE1 3.14Å; F127-H131 AromaticContact CZ-ND1 3.84Å; F127-H131 PolarHBondContact O-N 3.37Å; F127-H131 PolarHBondContact O-ND1 2.96Å; F127-L144 HydrophobicContact CE1-CD1 3.97Å; F127-L144 HydrophobicContact CE1-CD2 3.99Å; F127-L144 HydrophobicContact CE1-CG 4.31Å; F127-L144 HydrophobicContact CZ-CD1 3.93Å; F127-L144 HydrophobicContact CZ-CD2 4.3Å; F127-F148 HydrophobicContact CD1-CE1 4.42Å; F127-F148 HydrophobicContact CE1-CE1 4.01Å; F127-F148 HydrophobicContact CE1-CZ 4.35Å |
| 128 | L | 87.5 | Confident | 84.1 | Confident | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.5 | -47.2 | 172.1 | -89.6 | 173.8 | 0 | 0 | 0 | 111.5 | Y116 L122 D125 K130 H131 V132 V140 L145 F148 | Y116-L128 VanDerWaalsContact O-CD1 3.3Å; Y116-L128 WeakPolarHBondContact O-CD1 3.43Å; L122-L128 HydrophobicContact CD2-CB 3.8Å; D125-L128 HydrophobicContact CB-CB 4.19Å; D125-L128 HydrophobicContact CB-CD1 4.42Å; D125-L128 PolarHBondContact O-N 3.36Å; D125-L128 PolarHBondContact OD1-N 2.94Å; D125-L128 WeakPolarHBondContact OD2-CD1 3.24Å; D125-L128 WeakPolarHBondContact OD2-CG 3.4Å; L128-K130 PolarHBondContact O-N 2.89Å; L128-H131 PolarHBondContact O-N 2.86Å; L128-V132 WeakPolarHBondContact O-CG2 3.37Å; L128-V132 PolarHBondContact O-N 2.9Å; L128-V140 HydrophobicContact CD2-CG1 4.42Å; L128-L145 HydrophobicContact CD2-CD2 4.07Å; L128-F148 HydrophobicContact CD1-CE2 3.82Å; L128-F148 HydrophobicContact CD1-CZ 4.12Å; L128-F148 HydrophobicContact CD2-CE2 3.75Å; L128-F148 HydrophobicContact CD2-CZ 3.58Å; L128-F148 HydrophobicContact CG-CE2 3.94Å; L128-F148 HydrophobicContact CG-CZ 3.74Å |
| 129 | L | 85.6 | Confident | 84.1 | Confident | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -55.9 | -38.7 | 179.1 | -174.8 | 58.2 | 0 | 0 | 0 | 112.2 | D125 R133 F189 | D125-L129 WeakPolarHBondContact O-CB 3.42Å; D125-L129 PolarHBondContact O-N 2.92Å; L129-R133 HydrophobicContact CD1-CG 4.3Å; L129-R133 VanDerWaalsContact O-CB 3.31Å; L129-R133 WeakPolarHBondContact O-CB 3.28Å; L129-R133 VanDerWaalsContact O-CG 3.29Å; L129-R133 WeakPolarHBondContact O-CG 3.42Å; L129-R133 PolarHBondContact O-N 2.88Å; L129-F189 HydrophobicContact CD1-CB 4.47Å; L129-F189 HydrophobicContact CD1-CD2 3.66Å; L129-F189 HydrophobicContact CD1-CE2 4.44Å; L129-F189 HydrophobicContact CD1-CG 4.47Å; L129-F189 HydrophobicContact CD2-CB 4.04Å |
| 130 | K | 85.1 | Confident | 84.4 | Confident | 97 Ų | 97 | 71.6 Ų | 71.6 | 42% | 0.422 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.5 | -39.3 | 173.2 | -79.1 | 175.6 | -170 | 84.9 | 0 | 113.1 | A126 L128 R134 E192 | A126-K130 WeakPolarHBondContact O-CD 3.07Å; A126-K130 WeakPolarHBondContact O-CG 3.47Å; A126-K130 PolarHBondContact O-N 3.21Å; A126-K130 PolarHBondContact O-NZ 3.39Å; L128-K130 PolarHBondContact O-N 2.89Å; K130-R134 VanDerWaalsContact O-CB 3.22Å; K130-R134 WeakPolarHBondContact O-CB 3.37Å; K130-R134 PolarHBondContact O-N 3.33Å; K130-E192 WeakPolarHBondContact CE-OE1 3.31Å; K130-E192 IonicContact NZ-OE1 3.82Å; K130-E192 PolarHBondContact NZ-OE1 3.36Å; K130-E192 IonicContact NZ-OE2 2.78Å |
| 131 | H | 85.9 | Confident | 84.7 | Confident | 55 Ų | 55 | 67.2 Ų | 67.2 | 26% | 0.255 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -71.2 | -41.1 | 179.6 | -78.1 | 84.4 | 0 | 0 | 0 | 112.3 | F127 L128 R134 L144 | F127-H131 AromaticContact CE1-CE1 3.86Å; F127-H131 AromaticContact CE1-ND1 3.86Å; F127-H131 AromaticContact CE2-CE1 3.49Å; F127-H131 VanDerWaalsContact CE2-CE1 3.49Å; F127-H131 WeakPolarHBondContact CE2-CE1 3.47Å; F127-H131 AromaticContact CZ-CE1 3.36Å; F127-H131 WeakPolarHBondContact CZ-CE1 3.14Å; F127-H131 AromaticContact CZ-ND1 3.84Å; F127-H131 PolarHBondContact O-N 3.37Å; F127-H131 PolarHBondContact O-ND1 2.96Å; L128-H131 PolarHBondContact O-N 2.86Å; H131-R134 PolarHBondContact O-N 2.85Å; H131-L144 HydrophobicContact CB-CD2 4.45Å |
| 132 | V | 86.4 | Confident | 85 | Confident | 10 Ų | 10 | 66 Ų | 66 | 6% | 0.061 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.4 | -54.2 | 172.7 | 175.2 | 0 | 0 | 0 | 0 | 110 | L122 L128 R134 N135 V140 V186 | L122-V132 HydrophobicContact CD2-CG2 4.22Å; L128-V132 WeakPolarHBondContact O-CG2 3.37Å; L128-V132 PolarHBondContact O-N 2.9Å; V132-R134 VanDerWaalsContact C-N 3.29Å; V132-R134 PolarHBondContact O-N 3.34Å; V132-N135 PolarHBondContact O-N 2.85Å; V132-V140 HydrophobicContact CG2-CG2 3.55Å; V132-V186 HydrophobicContact CG1-CG1 4.33Å; V132-V186 HydrophobicContact CG1-CG2 3.79Å |
| 133 | R | 82.3 | Confident | 85.4 | Confident | 96 Ų | 96 | 73.3 Ų | 73.3 | 36% | 0.362 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.7 | -23.6 | -179.6 | -72.5 | 177.1 | 172.3 | 173.7 | -3.7 | 114.8 | L129 N135 F189 | L129-R133 HydrophobicContact CD1-CG 4.3Å; L129-R133 VanDerWaalsContact O-CB 3.31Å; L129-R133 WeakPolarHBondContact O-CB 3.28Å; L129-R133 VanDerWaalsContact O-CG 3.29Å; L129-R133 WeakPolarHBondContact O-CG 3.42Å; L129-R133 PolarHBondContact O-N 2.88Å; R133-N135 PolarHBondContact O-N 3.33Å; R133-F189 PolarHBondContact NH2-O 2.86Å |
| 134 | R | 83.3 | Confident | 85.9 | Confident | 201 Ų | 201 | 70 Ų | 70 | 76% | 0.758 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -65.6 | -26.2 | 178 | -175.5 | 172.2 | -174.6 | 164.3 | 2.2 | 112.4 | K130 H131 V132 | K130-R134 VanDerWaalsContact O-CB 3.22Å; K130-R134 WeakPolarHBondContact O-CB 3.37Å; K130-R134 PolarHBondContact O-N 3.33Å; H131-R134 PolarHBondContact O-N 2.85Å; V132-R134 VanDerWaalsContact C-N 3.29Å; V132-R134 PolarHBondContact O-N 3.34Å |
| 135 | N | 83.7 | Confident | 86.5 | Confident | 69 Ų | 69 | 62.6 Ų | 62.6 | 37% | 0.369 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -109.4 | 129.1 | 178.9 | -68.2 | -42.9 | 0 | 0 | 0 | 110.2 | V132 R133 L137 G138 F139 | V132-N135 PolarHBondContact O-N 2.85Å; R133-N135 PolarHBondContact O-N 3.33Å; N135-L137 PolarHBondContact O-N 3.34Å; N135-G138 PolarHBondContact O-N 3Å; N135-F139 PolarHBondContact ND2-O 2.99Å |
| 136 | K | 75.4 | Confident | 86.8 | Confident | 219 Ų | 219 | 61.2 Ų | 61.2 | 95% | 0.952 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -21 | 179.3 | -64.9 | -175.1 | 178.2 | -176 | 0 | 114.5 | ||
| 137 | L | 77.1 | Confident | 87.3 | Confident | 111 Ų | 111 | 62.7 Ų | 62.7 | 58% | 0.581 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.5 | 11.4 | -177.3 | -59.8 | 176.8 | 0 | 0 | 0 | 113 | N135 F139 | N135-L137 PolarHBondContact O-N 3.34Å; L137-F139 HydrophobicContact CB-CD2 3.64Å; L137-F139 HydrophobicContact CB-CE2 3.71Å; L137-F139 HydrophobicContact CD1-CD2 4.39Å; L137-F139 HydrophobicContact CD1-CE2 3.95Å; L137-F139 HydrophobicContact CG-CE2 4.5Å; L137-F139 PolarHBondContact O-N 3.42Å; L137-F139 VanDerWaalsContact O-N 3.12Å |
| 138 | G | 82.5 | Confident | 87.5 | Confident | 16 Ų | 16 | 59.1 Ų | 59.1 | 17% | 0.165 | 28% | 0.28 | C | S | . | . | trans | 71.8 | 1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | N135 V140 | N135-G138 PolarHBondContact O-N 3Å; G138-V140 PolarHBondContact O-N 3.25Å | ||
| 139 | F | 89 | Confident | 87.8 | Confident | 23 Ų | 23 | 67.5 Ų | 67.5 | 10% | 0.101 | 32% | 0.317 | C | S | . | . | trans | -63.1 | 132.7 | -176.2 | -74 | -69.3 | 0 | 0 | 0 | 114.1 | N135 L137 N174 K179 V180 R181 | N135-F139 PolarHBondContact ND2-O 2.99Å; L137-F139 HydrophobicContact CB-CD2 3.64Å; L137-F139 HydrophobicContact CB-CE2 3.71Å; L137-F139 HydrophobicContact CD1-CD2 4.39Å; L137-F139 HydrophobicContact CD1-CE2 3.95Å; L137-F139 HydrophobicContact CG-CE2 4.5Å; L137-F139 PolarHBondContact O-N 3.42Å; L137-F139 VanDerWaalsContact O-N 3.12Å; F139-N174 HydrophobicContact CE1-CB 4.06Å; F139-K179 HydrophobicContact CB-CB 4.18Å; F139-K179 HydrophobicContact CB-CD 4.08Å; F139-K179 HydrophobicContact CD1-CB 4Å; F139-K179 HydrophobicContact CG-CB 4.37Å; F139-V180 CarbonylContact C-O 3.41Å; F139-V180 WeakPolarHBondContact CA-O 3.35Å; F139-R181 HydrophobicContact CD1-CB 3.74Å; F139-R181 HydrophobicContact CD1-CG 4.01Å; F139-R181 HydrophobicContact CE1-CB 3.94Å; F139-R181 HydrophobicContact CE1-CG 3.65Å; F139-R181 HydrophobicContact CG-CB 4.3Å; F139-R181 HydrophobicContact CZ-CG 4.17Å | ||
| 140 | V | 91.7 | Very high | 88.1 | Confident | 4 Ų | 4 | 72.9 Ų | 72.9 | 2% | 0.024 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 144.9 | 171.5 | -175.6 | 0 | 0 | 0 | 0 | 108.9 | L128 V132 G138 L144 L145 K179 V180 | L128-V140 HydrophobicContact CD2-CG1 4.42Å; V132-V140 HydrophobicContact CG2-CG2 3.55Å; G138-V140 PolarHBondContact O-N 3.25Å; V140-L144 HydrophobicContact CG1-CD2 4.12Å; V140-L145 HydrophobicContact CG1-CD2 4.06Å; V140-L145 HydrophobicContact CG1-CG 4.2Å; V140-K179 CarbonylContact O-C 3.41Å; V140-K179 WeakPolarHBondContact O-CA 3.39Å; V140-K179 WeakPolarHBondContact O-CB 3.35Å; V140-V180 PolarHBondContact N-O 3.45Å; V140-V180 PolarHBondContact O-N 3Å |
| 141 | S | 93.4 | Very high | 88.6 | Confident | 49 Ų | 49 | 68.3 Ų | 68.3 | 34% | 0.343 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 133.9 | 179.5 | 46.3 | 0 | 0 | 0 | 0 | 111.9 | K143 L144 L145 | S141-K143 PolarHBondContact O-N 2.91Å; S141-L144 WeakPolarHBondContact O-CB 3.49Å; S141-L144 PolarHBondContact O-N 2.97Å; S141-L144 WeakPolarHBondContact OG-CB 3.28Å; S141-L145 PolarHBondContact O-N 2.76Å |
| 142 | V | 93.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.3 | -37.1 | 178.8 | 177.7 | 0 | 0 | 0 | 0 | 110.8 | L144 L145 T146 T161 A162 L165 L173 R178 V180 | V142-L144 PolarHBondContact O-N 2.82Å; V142-L145 PolarHBondContact O-N 2.91Å; V142-L145 VanDerWaalsContact O-N 3.08Å; V142-T146 HydrophobicContact CG1-CG2 4.3Å; V142-T146 WeakPolarHBondContact O-CG2 3.46Å; V142-T146 PolarHBondContact O-N 2.79Å; V142-T161 HydrophobicContact CG1-CG2 3.81Å; V142-A162 HydrophobicContact CG1-CB 4.24Å; V142-L165 HydrophobicContact CG1-CD1 4.36Å; V142-L165 HydrophobicContact CG2-CD1 4.15Å; V142-L173 HydrophobicContact CG2-CD2 3.98Å; V142-R178 PolarHBondContact N-O 2.7Å; V142-V180 HydrophobicContact CG2-CB 4.46Å |
| 143 | K | 93.4 | Very high | 89.2 | Confident | 154 Ų | 154 | 79 Ų | 79 | 67% | 0.67 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -62.4 | -22.8 | 175 | -169.4 | 168.7 | -176.5 | 172 | 0 | 114.3 | S141 T146 | S141-K143 PolarHBondContact O-N 2.91Å; K143-T146 WeakPolarHBondContact CA-OG1 3.31Å; K143-T146 PolarHBondContact O-OG1 3.46Å; K143-T146 VanDerWaalsContact O-OG1 3.07Å |
| 144 | L | 92.8 | Very high | 89.6 | Confident | 30 Ų | 30 | 77.4 Ų | 77.4 | 16% | 0.157 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -77 | -45.5 | 171.6 | -179.9 | 62.5 | 0 | 0 | 0 | 110.1 | F127 H131 V140 S141 V142 T146 S147 F148 | F127-L144 HydrophobicContact CE1-CD1 3.97Å; F127-L144 HydrophobicContact CE1-CD2 3.99Å; F127-L144 HydrophobicContact CE1-CG 4.31Å; F127-L144 HydrophobicContact CZ-CD1 3.93Å; F127-L144 HydrophobicContact CZ-CD2 4.3Å; H131-L144 HydrophobicContact CB-CD2 4.45Å; V140-L144 HydrophobicContact CG1-CD2 4.12Å; S141-L144 WeakPolarHBondContact O-CB 3.49Å; S141-L144 PolarHBondContact O-N 2.97Å; S141-L144 WeakPolarHBondContact OG-CB 3.28Å; V142-L144 PolarHBondContact O-N 2.82Å; L144-T146 VanDerWaalsContact C-N 3.32Å; L144-T146 PolarHBondContact O-N 2.74Å; L144-S147 WeakPolarHBondContact O-CB 3.49Å; L144-S147 PolarHBondContact O-N 2.77Å; L144-S147 PolarHBondContact O-OG 2.84Å; L144-F148 HydrophobicContact CD1-CE1 4.41Å; L144-F148 HydrophobicContact CG-CE1 4.26Å; L144-F148 HydrophobicContact CG-CZ 4.41Å |
| 145 | L | 92.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.7 | -38.9 | 178.4 | -58.2 | 174.4 | 0 | 0 | 0 | 111.8 | I113 L128 V140 S141 V142 S147 F148 V180 | I113-L145 HydrophobicContact CG2-CD1 3.86Å; L128-L145 HydrophobicContact CD2-CD2 4.07Å; V140-L145 HydrophobicContact CG1-CD2 4.06Å; V140-L145 HydrophobicContact CG1-CG 4.2Å; S141-L145 PolarHBondContact O-N 2.76Å; V142-L145 PolarHBondContact O-N 2.91Å; V142-L145 VanDerWaalsContact O-N 3.08Å; L145-S147 PolarHBondContact O-N 2.87Å; L145-F148 HydrophobicContact CD2-CD2 4.12Å; L145-F148 HydrophobicContact CD2-CE2 3.48Å; L145-F148 VanDerWaalsContact CD2-CE2 3.48Å; L145-F148 HydrophobicContact CD2-CZ 4.15Å; L145-F148 WeakPolarHBondContact O-CB 3.31Å; L145-F148 PolarHBondContact O-N 3.07Å; L145-F148 VanDerWaalsContact O-N 3.16Å; L145-V180 HydrophobicContact CD1-CG1 3.35Å |
| 146 | T | 93.1 | Very high | 90.2 | Very high | 13 Ų | 13 | 75.1 Ų | 75.1 | 8% | 0.08 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -16.5 | 173.5 | 61.3 | 0 | 0 | 0 | 0 | 114.3 | V142 K143 L144 W158 T161 | V142-T146 HydrophobicContact CG1-CG2 4.3Å; V142-T146 WeakPolarHBondContact O-CG2 3.46Å; V142-T146 PolarHBondContact O-N 2.79Å; K143-T146 WeakPolarHBondContact CA-OG1 3.31Å; K143-T146 PolarHBondContact O-OG1 3.46Å; K143-T146 VanDerWaalsContact O-OG1 3.07Å; L144-T146 VanDerWaalsContact C-N 3.32Å; L144-T146 PolarHBondContact O-N 2.74Å; T146-W158 HydrophobicContact CG2-CB 4.09Å; T146-T161 HydrophobicContact CG2-CG2 3.9Å; T146-T161 VanDerWaalsContact CG2-OG1 3.22Å; T146-T161 WeakPolarHBondContact CG2-OG1 3.46Å |
| 147 | S | 92.1 | Very high | 90.9 | Very high | 66 Ų | 66 | 69.3 Ų | 69.3 | 46% | 0.462 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -15.6 | 177 | 79.1 | 0 | 0 | 0 | 0 | 113.3 | L144 L145 | L144-S147 WeakPolarHBondContact O-CB 3.49Å; L144-S147 PolarHBondContact O-N 2.77Å; L144-S147 PolarHBondContact O-OG 2.84Å; L145-S147 PolarHBondContact O-N 2.87Å |
| 148 | F | 91.9 | Very high | 91.5 | Very high | 28 Ų | 28 | 68.3 Ų | 68.3 | 12% | 0.123 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -67.8 | 145.1 | -179 | -66.5 | -16.5 | 0 | 0 | 0 | 112.2 | Y116 F127 L128 L144 L145 K150 V151 K152 | Y116-F148 AromaticContact CD2-CD2 3.81Å; Y116-F148 HydrophobicContact CD2-CD2 3.81Å; Y116-F148 HydrophobicContact CD2-CE2 4.49Å; Y116-F148 HydrophobicContact CE2-CB 4.02Å; Y116-F148 AromaticContact CE2-CD2 3.88Å; Y116-F148 HydrophobicContact CE2-CD2 3.88Å; Y116-F148 HydrophobicContact CE2-CG 4.45Å; Y116-F148 HydrophobicContact CG-CD2 4.18Å; Y116-F148 HydrophobicContact CG-CE2 4.49Å; F127-F148 HydrophobicContact CD1-CE1 4.42Å; F127-F148 HydrophobicContact CE1-CE1 4.01Å; F127-F148 HydrophobicContact CE1-CZ 4.35Å; L128-F148 HydrophobicContact CD1-CE2 3.82Å; L128-F148 HydrophobicContact CD1-CZ 4.12Å; L128-F148 HydrophobicContact CD2-CE2 3.75Å; L128-F148 HydrophobicContact CD2-CZ 3.58Å; L128-F148 HydrophobicContact CG-CE2 3.94Å; L128-F148 HydrophobicContact CG-CZ 3.74Å; L144-F148 HydrophobicContact CD1-CE1 4.41Å; L144-F148 HydrophobicContact CG-CE1 4.26Å; L144-F148 HydrophobicContact CG-CZ 4.41Å; L145-F148 HydrophobicContact CD2-CD2 4.12Å; L145-F148 HydrophobicContact CD2-CE2 3.48Å; L145-F148 VanDerWaalsContact CD2-CE2 3.48Å; L145-F148 HydrophobicContact CD2-CZ 4.15Å; L145-F148 WeakPolarHBondContact O-CB 3.31Å; L145-F148 PolarHBondContact O-N 3.07Å; L145-F148 VanDerWaalsContact O-N 3.16Å; F148-K150 PolarHBondContact O-N 3.07Å; F148-V151 PolarHBondContact O-N 3.5Å; F148-K152 WeakPolarHBondContact O-CB 3.31Å; F148-K152 PolarHBondContact O-N 2.8Å |
| 149 | K | 93.3 | Very high | 91.9 | Very high | 176 Ų | 176 | 73.2 Ų | 73.2 | 77% | 0.765 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -49 | -55.5 | -172.1 | -67.1 | -178.9 | -179.2 | 177.7 | 0 | 112.1 | K152 H153 | K149-K152 PolarHBondContact O-N 2.78Å; K149-H153 PolarHBondContact O-N 2.92Å; K149-H153 PolarHBondContact O-ND1 3.04Å |
| 150 | K | 92.4 | Very high | 92 | Very high | 114 Ų | 114 | 72.8 Ų | 72.8 | 50% | 0.496 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.1 | -45.4 | -175.1 | -61.7 | -173.3 | 178.5 | -176.5 | 0 | 112.6 | Q112 Y116 F148 K152 H153 | Q112-K150 VanDerWaalsContact CD-CD 3.49Å; Q112-K150 HydrophobicContact CG-CB 3.78Å; Q112-K150 HydrophobicContact CG-CD 4.46Å; Y116-K150 HydrophobicContact CE2-CB 4.38Å; Y116-K150 WeakPolarHBondContact OH-CB 3.36Å; Y116-K150 WeakPolarHBondContact OH-CG 3.25Å; F148-K150 PolarHBondContact O-N 3.07Å; K150-K152 PolarHBondContact O-N 3.13Å; K150-H153 PolarHBondContact O-N 3.46Å |
| 151 | V | 93.8 | Very high | 92 | Very high | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.6 | -39.2 | 177.8 | 178.5 | 0 | 0 | 0 | 0 | 111.8 | L109 Q112 I113 Y116 F148 H153 L154 T155 | L109-V151 HydrophobicContact CD2-CG1 3.83Å; Q112-V151 HydrophobicContact CG-CG2 4.06Å; I113-V151 HydrophobicContact CD1-CG2 4.26Å; I113-V151 HydrophobicContact CG1-CG2 3.8Å; Y116-V151 HydrophobicContact CD2-CG2 4.36Å; Y116-V151 HydrophobicContact CE2-CG2 4.05Å; F148-V151 PolarHBondContact O-N 3.5Å; V151-H153 VanDerWaalsContact C-N 3.28Å; V151-H153 PolarHBondContact O-N 2.89Å; V151-L154 WeakPolarHBondContact O-CB 3.37Å; V151-L154 PolarHBondContact O-N 3.09Å; V151-T155 PolarHBondContact O-N 3.22Å |
| 152 | K | 93.6 | Very high | 92 | Very high | 122 Ų | 122 | 70.7 Ų | 70.7 | 53% | 0.53 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.4 | -25.5 | 179.9 | -173 | 179.7 | 176.5 | -173.2 | 0 | 114 | F148 K149 K150 T155 | F148-K152 WeakPolarHBondContact O-CB 3.31Å; F148-K152 PolarHBondContact O-N 2.8Å; K149-K152 PolarHBondContact O-N 2.78Å; K150-K152 PolarHBondContact O-N 3.13Å; K152-T155 WeakPolarHBondContact CA-O 3.48Å |
| 153 | H | 92.1 | Very high | 91.9 | Very high | 167 Ų | 167 | 74.2 Ų | 74.2 | 77% | 0.773 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -77 | -27 | 172.1 | -71.8 | 89.4 | 0 | 0 | 0 | 112.1 | K149 K150 V151 | K149-H153 PolarHBondContact O-N 2.92Å; K149-H153 PolarHBondContact O-ND1 3.04Å; K150-H153 PolarHBondContact O-N 3.46Å; V151-H153 VanDerWaalsContact C-N 3.28Å; V151-H153 PolarHBondContact O-N 2.89Å |
| 154 | L | 90.6 | Very high | 91.8 | Very high | 63 Ų | 63 | 66.9 Ų | 66.9 | 33% | 0.33 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -80.7 | -50.1 | 176 | -62.9 | 174.2 | 0 | 0 | 0 | 111.7 | L105 K108 L109 V151 | L105-L154 HydrophobicContact CD1-CB 3.97Å; L105-L154 HydrophobicContact CD1-CD2 4.22Å; K108-L154 HydrophobicContact CB-CD1 4.07Å; K108-L154 HydrophobicContact CB-CD2 4.34Å; L109-L154 HydrophobicContact CD2-CB 3.81Å; L109-L154 HydrophobicContact CD2-CD1 3.96Å; L109-L154 HydrophobicContact CG-CB 4.42Å; L109-L154 HydrophobicContact CG-CD1 4.29Å; V151-L154 WeakPolarHBondContact O-CB 3.37Å; V151-L154 PolarHBondContact O-N 3.09Å |
| 155 | T | 91 | Very high | 91.8 | Very high | 13 Ų | 13 | 65.6 Ų | 65.6 | 8% | 0.08 | 30% | 0.295 | C | S | . | . | trans | -145.1 | 154.2 | 178.6 | 60.5 | 0 | 0 | 0 | 0 | 112.3 | L105 L109 V151 K152 T160 T161 | L105-T155 HydrophobicContact CD1-CG2 4.35Å; L105-T155 HydrophobicContact CD2-CG2 3.77Å; L105-T155 HydrophobicContact CG-CG2 4.19Å; L109-T155 HydrophobicContact CD1-CG2 3.87Å; L109-T155 HydrophobicContact CD2-CG2 4.36Å; V151-T155 PolarHBondContact O-N 3.22Å; K152-T155 WeakPolarHBondContact CA-O 3.48Å; T155-T160 HydrophobicContact CG2-CG2 3.92Å; T155-T161 PolarHBondContact OG1-OG1 2.86Å | ||
| 156 | R | 88.7 | Confident | 91.7 | Very high | 209 Ų | 209 | 72.6 Ų | 72.6 | 79% | 0.789 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -101 | -13.7 | 170 | -62.5 | -180 | -177.2 | 177.7 | 3.1 | 112.4 | ||
| 157 | D | 90.5 | Very high | 91.4 | Very high | 97 Ų | 97 | 77.1 Ų | 77.1 | 52% | 0.519 | 35% | 0.346 | S | S | . | . | trans | -98.6 | 120.9 | -169.9 | -59.8 | -62.7 | 0 | 0 | 0 | 113 | R159 T160 T161 | D157-R159 VanDerWaalsContact C-N 3.29Å; D157-R159 PolarHBondContact O-N 2.83Å; D157-T160 WeakPolarHBondContact CB-OG1 3.43Å; D157-T160 PolarHBondContact O-N 3.07Å; D157-T161 PolarHBondContact O-N 2.85Å; D157-T161 PolarHBondContact O-OG1 3.44Å | ||
| 158 | W | 89.9 | Confident | 91.2 | Very high | 90 Ų | 90 | 74.4 Ų | 74.4 | 34% | 0.341 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -67.8 | -28 | 178 | 75.7 | -87.4 | 0 | 0 | 0 | 112.7 | T146 T161 A162 R178 | T146-W158 HydrophobicContact CG2-CB 4.09Å; W158-T161 PolarHBondContact O-N 2.79Å; W158-A162 HydrophobicContact CE3-CB 4.34Å; W158-A162 HydrophobicContact CZ3-CB 4.47Å; W158-A162 VanDerWaalsContact O-CB 3.24Å; W158-A162 WeakPolarHBondContact O-CB 3.4Å; W158-A162 PolarHBondContact O-N 3.27Å; W158-R178 HydrophobicContact CH2-CG 4.47Å; W158-R178 HydrophobicContact CZ3-CG 4.3Å |
| 159 | R | 91 | Very high | 90.9 | Very high | 120 Ų | 120 | 81.8 Ų | 81.8 | 45% | 0.453 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.4 | -47.1 | 174.8 | -66.9 | -175.8 | -177.3 | -108 | 12 | 110.5 | D157 A162 Y163 | D157-R159 VanDerWaalsContact C-N 3.29Å; D157-R159 PolarHBondContact O-N 2.83Å; R159-A162 PolarHBondContact O-N 2.84Å; R159-Y163 PolarHBondContact O-N 2.76Å |
| 160 | T | 91.3 | Very high | 90.6 | Very high | 14 Ų | 14 | 77.6 Ų | 77.6 | 9% | 0.086 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 177.7 | -49.1 | 0 | 0 | 0 | 0 | 111.8 | W98 P101 T155 D157 Y163 A164 | W98-T160 PolarHBondContact NE1-OG1 3.22Å; P101-T160 HydrophobicContact CB-CG2 3.62Å; P101-T160 HydrophobicContact CG-CG2 3.52Å; T155-T160 HydrophobicContact CG2-CG2 3.92Å; D157-T160 WeakPolarHBondContact CB-OG1 3.43Å; D157-T160 PolarHBondContact O-N 3.07Å; T160-Y163 PolarHBondContact O-N 3.14Å; T160-A164 PolarHBondContact O-N 2.8Å |
| 161 | T | 92.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.6 | -41.4 | 173.6 | -60.3 | 0 | 0 | 0 | 0 | 112.4 | I113 V142 T146 T155 D157 W158 Y163 A164 L165 | I113-T161 HydrophobicContact CD1-CG2 3.36Å; V142-T161 HydrophobicContact CG1-CG2 3.81Å; T146-T161 HydrophobicContact CG2-CG2 3.9Å; T146-T161 VanDerWaalsContact CG2-OG1 3.22Å; T146-T161 WeakPolarHBondContact CG2-OG1 3.46Å; T155-T161 PolarHBondContact OG1-OG1 2.86Å; D157-T161 PolarHBondContact O-N 2.85Å; D157-T161 PolarHBondContact O-OG1 3.44Å; W158-T161 PolarHBondContact O-N 2.79Å; T161-Y163 VanDerWaalsContact C-N 3.32Å; T161-Y163 PolarHBondContact O-N 3.09Å; T161-A164 PolarHBondContact O-N 2.98Å; T161-L165 HydrophobicContact CG2-CD1 4.04Å; T161-L165 HydrophobicContact CG2-CG 4.42Å; T161-L165 WeakPolarHBondContact O-CB 3.41Å; T161-L165 VanDerWaalsContact O-CG 3.3Å; T161-L165 WeakPolarHBondContact O-CG 3.38Å; T161-L165 PolarHBondContact O-N 3.38Å |
| 162 | A | 92.4 | Very high | 90.4 | Very high | 8 Ų | 8 | 75.5 Ų | 75.5 | 7% | 0.066 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.2 | -36.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | V142 W158 R159 K166 L173 G177 | V142-A162 HydrophobicContact CG1-CB 4.24Å; W158-A162 HydrophobicContact CE3-CB 4.34Å; W158-A162 HydrophobicContact CZ3-CB 4.47Å; W158-A162 VanDerWaalsContact O-CB 3.24Å; W158-A162 WeakPolarHBondContact O-CB 3.4Å; W158-A162 PolarHBondContact O-N 3.27Å; R159-A162 PolarHBondContact O-N 2.84Å; A162-K166 PolarHBondContact O-N 3.3Å; A162-L173 WeakPolarHBondContact O-CD1 3.45Å; A162-G177 WeakPolarHBondContact CB-O 3.47Å |
| 163 | Y | 91.3 | Very high | 90.2 | Very high | 75 Ų | 75 | 71.3 Ų | 71.3 | 29% | 0.294 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65 | -50.6 | 172.5 | -175.4 | -96.4 | 0 | 0 | 0 | 111.5 | W98 P100 P101 I106 R159 T160 T161 L165 K166 H167 | W98-Y163 AromaticContact CH2-CD1 3.86Å; W98-Y163 HydrophobicContact CH2-CD1 3.86Å; W98-Y163 AromaticContact CH2-CD2 3.46Å; W98-Y163 HydrophobicContact CH2-CD2 3.46Å; W98-Y163 VanDerWaalsContact CH2-CD2 3.46Å; W98-Y163 HydrophobicContact CH2-CE1 4.38Å; W98-Y163 HydrophobicContact CH2-CE2 4.04Å; W98-Y163 AromaticContact CH2-CG 3.35Å; W98-Y163 HydrophobicContact CH2-CG 3.35Å; W98-Y163 HydrophobicContact CZ2-CD1 4.4Å; W98-Y163 HydrophobicContact CZ2-CD2 4.41Å; W98-Y163 AromaticContact CZ2-CG 3.94Å; W98-Y163 HydrophobicContact CZ2-CG 3.94Å; W98-Y163 HydrophobicContact CZ3-CD2 4.02Å; W98-Y163 HydrophobicContact CZ3-CE2 4.38Å; W98-Y163 HydrophobicContact CZ3-CG 4.35Å; P100-Y163 HydrophobicContact CB-CE1 4.29Å; P101-Y163 HydrophobicContact CG-CD1 4.41Å; I106-Y163 HydrophobicContact CD1-CD1 4.01Å; I106-Y163 HydrophobicContact CD1-CE1 3.79Å; R159-Y163 PolarHBondContact O-N 2.76Å; T160-Y163 PolarHBondContact O-N 3.14Å; T161-Y163 VanDerWaalsContact C-N 3.32Å; T161-Y163 PolarHBondContact O-N 3.09Å; Y163-L165 VanDerWaalsContact C-N 3.26Å; Y163-L165 PolarHBondContact O-N 3Å; Y163-K166 VanDerWaalsContact O-CB 3.3Å; Y163-K166 WeakPolarHBondContact O-CB 3.49Å; Y163-K166 PolarHBondContact O-N 3.49Å; Y163-H167 AromaticContact CE1-NE2 3.5Å; Y163-H167 WeakPolarHBondContact CE1-NE2 3.25Å; Y163-H167 AromaticContact CZ-NE2 3.72Å; Y163-H167 PolarHBondContact O-CD2 2.89Å |
| 164 | A | 92.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -54.4 | -43.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | I106 L109 V110 T160 T161 K166 H167 | I106-A164 HydrophobicContact CB-CB 4.24Å; I106-A164 HydrophobicContact CG1-CB 4.2Å; I106-A164 HydrophobicContact CG2-CB 3.95Å; L109-A164 HydrophobicContact CB-CB 4.02Å; L109-A164 HydrophobicContact CD1-CB 4Å; V110-A164 HydrophobicContact CG2-CB 4.28Å; V110-A164 WeakPolarHBondContact CG2-O 3.39Å; T160-A164 PolarHBondContact O-N 2.8Å; T161-A164 PolarHBondContact O-N 2.98Å; A164-K166 PolarHBondContact O-N 3Å; A164-H167 PolarHBondContact O-N 2.83Å |
| 165 | L | 91.6 | Very high | 90 | Very high | 3 Ų | 3 | 70.2 Ų | 70.2 | 2% | 0.016 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.2 | -19.8 | 178.1 | -72.2 | 171.9 | 0 | 0 | 0 | 114.6 | I113 V142 T161 Y163 H167 S168 L171 L173 V180 | I113-L165 HydrophobicContact CB-CD2 4.03Å; I113-L165 HydrophobicContact CD1-CD1 4.16Å; I113-L165 HydrophobicContact CD1-CD2 4Å; I113-L165 HydrophobicContact CD1-CG 4.2Å; I113-L165 HydrophobicContact CG2-CD2 3.76Å; V142-L165 HydrophobicContact CG1-CD1 4.36Å; V142-L165 HydrophobicContact CG2-CD1 4.15Å; T161-L165 HydrophobicContact CG2-CD1 4.04Å; T161-L165 HydrophobicContact CG2-CG 4.42Å; T161-L165 WeakPolarHBondContact O-CB 3.41Å; T161-L165 VanDerWaalsContact O-CG 3.3Å; T161-L165 WeakPolarHBondContact O-CG 3.38Å; T161-L165 PolarHBondContact O-N 3.38Å; Y163-L165 VanDerWaalsContact C-N 3.26Å; Y163-L165 PolarHBondContact O-N 3Å; L165-H167 PolarHBondContact O-N 3.19Å; L165-S168 WeakPolarHBondContact O-CB 3.45Å; L165-S168 PolarHBondContact O-N 3.19Å; L165-S168 PolarHBondContact O-OG 3.07Å; L165-L171 HydrophobicContact CD2-CD1 3.76Å; L165-L173 HydrophobicContact CB-CD1 3.85Å; L165-L173 HydrophobicContact CB-CD2 4.03Å; L165-L173 HydrophobicContact CB-CG 4.11Å; L165-L173 HydrophobicContact CD1-CD2 4.2Å; L165-V180 HydrophobicContact CD1-CB 4.33Å; L165-V180 HydrophobicContact CD1-CG1 4.43Å; L165-V180 HydrophobicContact CD1-CG2 4.36Å |
| 166 | K | 90 | Very high | 89.8 | Confident | 146 Ų | 146 | 74.6 Ų | 74.6 | 64% | 0.635 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -64.5 | -26.7 | 172.5 | -66.5 | 180 | 177.9 | -174.5 | 0 | 112.7 | A162 Y163 A164 S168 L173 | A162-K166 PolarHBondContact O-N 3.3Å; Y163-K166 VanDerWaalsContact O-CB 3.3Å; Y163-K166 WeakPolarHBondContact O-CB 3.49Å; Y163-K166 PolarHBondContact O-N 3.49Å; A164-K166 PolarHBondContact O-N 3Å; K166-S168 VanDerWaalsContact C-N 3.34Å; K166-L173 HydrophobicContact CB-CD1 4.33Å; K166-L173 HydrophobicContact CG-CD1 3.52Å |
| 167 | H | 87.1 | Confident | 89.7 | Confident | 109 Ų | 109 | 65.2 Ų | 65.2 | 51% | 0.505 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -5.8 | 178.9 | -58.8 | -84.2 | 0 | 0 | 0 | 113.1 | I106 Y163 A164 L165 | I106-H167 HydrophobicContact CG2-CB 4.44Å; Y163-H167 AromaticContact CE1-NE2 3.5Å; Y163-H167 WeakPolarHBondContact CE1-NE2 3.25Å; Y163-H167 AromaticContact CZ-NE2 3.72Å; Y163-H167 PolarHBondContact O-CD2 2.89Å; A164-H167 PolarHBondContact O-N 2.83Å; L165-H167 PolarHBondContact O-N 3.19Å |
| 168 | S | 89.1 | Confident | 89.6 | Confident | 8 Ų | 8 | 67.2 Ų | 67.2 | 6% | 0.056 | 31% | 0.307 | C | S | . | . | trans | -72.7 | 139.5 | 179.6 | 71.2 | 0 | 0 | 0 | 0 | 112.1 | E114 L165 K166 L171 | E114-S168 WeakPolarHBondContact OE1-CB 3.26Å; L165-S168 WeakPolarHBondContact O-CB 3.45Å; L165-S168 PolarHBondContact O-N 3.19Å; L165-S168 PolarHBondContact O-OG 3.07Å; K166-S168 VanDerWaalsContact C-N 3.34Å; S168-L171 WeakPolarHBondContact OG-CB 3.35Å | ||
| 169 | K | 86.1 | Confident | 89.7 | Confident | 184 Ų | 184 | 67.1 Ų | 67.1 | 80% | 0.8 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -87.5 | -34 | 179.9 | -68.7 | 178.5 | -177 | 174.4 | 0 | 111.5 | E114 K183 | E114-K169 PolarHBondContact OE1-N 3.41Å; K169-K183 VanDerWaalsContact O-CD 3.29Å; K169-K183 WeakPolarHBondContact O-CD 3.42Å; K169-K183 PolarHBondContact O-NZ 3.16Å |
| 170 | I | 86.5 | Confident | 89.8 | Confident | 87 Ų | 87 | 61.4 Ų | 61.4 | 45% | 0.446 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -85 | -28.2 | -171.9 | -55.2 | 175.5 | 0 | 0 | 0 | 112 | E114 K183 | E114-I170 HydrophobicContact CB-CD1 4.47Å; E114-I170 HydrophobicContact CG-CB 4.34Å; E114-I170 HydrophobicContact CG-CD1 4.32Å; E114-I170 WeakPolarHBondContact OE1-CB 3.26Å; E114-I170 PolarHBondContact OE1-N 3.34Å; I170-K183 WeakPolarHBondContact O-CB 3.35Å; I170-K183 PolarHBondContact O-N 3.32Å |
| 171 | L | 90.1 | Very high | 89.7 | Confident | 3 Ų | 3 | 64.1 Ų | 64.1 | 2% | 0.016 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 160.9 | -173.6 | -49.7 | 173.5 | 0 | 0 | 0 | 111.7 | I113 E114 L117 L165 S168 V180 R181 R182 K183 | I113-L171 HydrophobicContact CG2-CD1 3.85Å; E114-L171 HydrophobicContact CG-CD1 3.86Å; E114-L171 HydrophobicContact CG-CG 4.08Å; L117-L171 HydrophobicContact CB-CD2 4.08Å; L117-L171 HydrophobicContact CD1-CD1 3.93Å; L117-L171 HydrophobicContact CD1-CD2 3.65Å; L117-L171 HydrophobicContact CD1-CG 4.43Å; L165-L171 HydrophobicContact CD2-CD1 3.76Å; S168-L171 WeakPolarHBondContact OG-CB 3.35Å; L171-V180 HydrophobicContact CB-CG2 3.7Å; L171-V180 HydrophobicContact CD1-CG2 4.26Å; L171-V180 HydrophobicContact CG-CG2 4.46Å; L171-R181 CarbonylContact C-O 3.51Å; L171-R181 WeakPolarHBondContact CA-O 3.22Å; L171-R182 HydrophobicContact CD2-CB 4.43Å; L171-R182 HydrophobicContact CD2-CG 3.76Å; L171-K183 WeakPolarHBondContact O-CE 3.44Å; L171-K183 PolarHBondContact O-NZ 2.95Å |
| 172 | E | 90.3 | Very high | 89.5 | Confident | 68 Ų | 68 | 65.5 Ų | 65.5 | 32% | 0.318 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 129 | 179.8 | -173.5 | -171.1 | 166.1 | 0 | 0 | 109.2 | V180 R181 K183 | E172-V180 CarbonylContact O-C 3.58Å; E172-V180 VanDerWaalsContact O-CA 3.31Å; E172-V180 WeakPolarHBondContact O-CA 3.26Å; E172-V180 WeakPolarHBondContact O-CG2 3.34Å; E172-R181 HydrophobicContact CB-CG 4.06Å; E172-R181 VanDerWaalsContact CD-NE 3.35Å; E172-R181 PolarHBondContact N-O 3.09Å; E172-R181 PolarHBondContact O-N 3.05Å; E172-R181 IonicContact OE1-CZ 2.67Å; E172-R181 IonicContact OE1-NE 3.22Å; E172-R181 IonicContact OE1-NH2 3.72Å; E172-R181 PolarHBondContact OE1-NH2 2.94Å; E172-R181 IonicContact OE2-CZ 2.61Å; E172-R181 IonicContact OE2-NE 2.96Å; E172-R181 PolarHBondContact OE2-NE 3.3Å; E172-R181 IonicContact OE2-NH2 3.22Å; E172-R181 PolarHBondContact OE2-NH2 3.4Å; E172-K183 HydrophobicContact CB-CG 3.82Å |
| 173 | L | 91 | Very high | 89.1 | Confident | 33 Ų | 33 | 70.6 Ų | 70.6 | 17% | 0.173 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 146 | 174.3 | -71.6 | 162.8 | 0 | 0 | 0 | 110.4 | V142 A162 L165 K166 K179 V180 | V142-L173 HydrophobicContact CG2-CD2 3.98Å; A162-L173 WeakPolarHBondContact O-CD1 3.45Å; L165-L173 HydrophobicContact CB-CD1 3.85Å; L165-L173 HydrophobicContact CB-CD2 4.03Å; L165-L173 HydrophobicContact CB-CG 4.11Å; L165-L173 HydrophobicContact CD1-CD2 4.2Å; K166-L173 HydrophobicContact CB-CD1 4.33Å; K166-L173 HydrophobicContact CG-CD1 3.52Å; L173-K179 WeakPolarHBondContact CA-O 3.45Å; L173-V180 HydrophobicContact CD2-CB 3.92Å; L173-V180 HydrophobicContact CD2-CG2 4.22Å |
| 174 | N | 90.9 | Very high | 88.5 | Confident | 42 Ų | 42 | 69.4 Ų | 69.4 | 23% | 0.225 | 33% | 0.325 | C | S | . | . | trans | -63.8 | 156.4 | 165.4 | -168.5 | 67.3 | 0 | 0 | 0 | 110.3 | F139 E176 G177 K179 | F139-N174 HydrophobicContact CE1-CB 4.06Å; N174-E176 PolarHBondContact O-N 3.1Å; N174-G177 WeakPolarHBondContact O-CA 3.4Å; N174-G177 PolarHBondContact O-N 3.27Å; N174-K179 HydrophobicContact CB-CB 4.17Å; N174-K179 PolarHBondContact N-O 3.1Å | ||
| 175 | D | 86.6 | Confident | 87.5 | Confident | 166 Ų | 166 | 73.9 Ų | 73.9 | 89% | 0.888 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | -35.7 | -177.7 | -49.2 | -47.2 | 0 | 0 | 0 | 113.5 | G177 | D175-G177 VanDerWaalsContact C-N 3.31Å; D175-G177 PolarHBondContact O-N 2.91Å |
| 176 | E | 86.2 | Confident | 86.4 | Confident | 105 Ų | 105 | 75.9 Ų | 75.9 | 49% | 0.491 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -6.4 | 178.2 | -50.1 | 178.1 | 143.6 | 0 | 0 | 114.9 | N174 R178 | N174-E176 PolarHBondContact O-N 3.1Å; E176-R178 HydrophobicContact CB-CB 4.43Å; E176-R178 HydrophobicContact CB-CG 4.03Å; E176-R178 WeakPolarHBondContact O-CG 3.21Å; E176-R178 PolarHBondContact O-N 2.67Å; E176-R178 IonicContact OE1-CZ 2.7Å; E176-R178 IonicContact OE1-NE 3.65Å; E176-R178 IonicContact OE1-NH2 2.77Å; E176-R178 PolarHBondContact OE1-NH2 2.73Å; E176-R178 IonicContact OE2-CZ 2.96Å; E176-R178 VanDerWaalsContact OE2-CZ 3.26Å; E176-R178 IonicContact OE2-NE 3.26Å; E176-R178 PolarHBondContact OE2-NE 3.01Å; E176-R178 IonicContact OE2-NH2 3.93Å; E176-R178 PolarHBondContact OE2-NH2 2.79Å |
| 177 | G | 86.8 | Confident | 85.1 | Confident | 11 Ų | 11 | 71.6 Ų | 71.6 | 11% | 0.113 | 36% | 0.361 | C | S | . | . | S | Bend | trans | 66.8 | -0.6 | -172 | 0 | 0 | 0 | 0 | 0 | 116 | A162 N174 D175 | A162-G177 WeakPolarHBondContact CB-O 3.47Å; N174-G177 WeakPolarHBondContact O-CA 3.4Å; N174-G177 PolarHBondContact O-N 3.27Å; D175-G177 VanDerWaalsContact C-N 3.31Å; D175-G177 PolarHBondContact O-N 2.91Å |
| 178 | R | 89.3 | Confident | 83.8 | Confident | 140 Ų | 140 | 72.7 Ų | 72.7 | 53% | 0.528 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -81.8 | -17.6 | -173.2 | -60.7 | -165.3 | -74.8 | -154.9 | 1 | 115 | V142 W158 E176 | V142-R178 PolarHBondContact N-O 2.7Å; W158-R178 HydrophobicContact CH2-CG 4.47Å; W158-R178 HydrophobicContact CZ3-CG 4.3Å; E176-R178 HydrophobicContact CB-CB 4.43Å; E176-R178 HydrophobicContact CB-CG 4.03Å; E176-R178 WeakPolarHBondContact O-CG 3.21Å; E176-R178 PolarHBondContact O-N 2.67Å; E176-R178 IonicContact OE1-CZ 2.7Å; E176-R178 IonicContact OE1-NE 3.65Å; E176-R178 IonicContact OE1-NH2 2.77Å; E176-R178 PolarHBondContact OE1-NH2 2.73Å; E176-R178 IonicContact OE2-CZ 2.96Å; E176-R178 VanDerWaalsContact OE2-CZ 3.26Å; E176-R178 IonicContact OE2-NE 3.26Å; E176-R178 PolarHBondContact OE2-NE 3.01Å; E176-R178 IonicContact OE2-NH2 3.93Å; E176-R178 PolarHBondContact OE2-NH2 2.79Å |
| 179 | K | 92.1 | Very high | 82.4 | Confident | 88 Ų | 88 | 73 Ų | 73 | 38% | 0.383 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 150.1 | -177.6 | -61.4 | 177.5 | -171.8 | 167.3 | 0 | 110.3 | F139 V140 L173 N174 | F139-K179 HydrophobicContact CB-CB 4.18Å; F139-K179 HydrophobicContact CB-CD 4.08Å; F139-K179 HydrophobicContact CD1-CB 4Å; F139-K179 HydrophobicContact CG-CB 4.37Å; V140-K179 CarbonylContact O-C 3.41Å; V140-K179 WeakPolarHBondContact O-CA 3.39Å; V140-K179 WeakPolarHBondContact O-CB 3.35Å; L173-K179 WeakPolarHBondContact CA-O 3.45Å; N174-K179 HydrophobicContact CB-CB 4.17Å; N174-K179 PolarHBondContact N-O 3.1Å |
| 180 | V | 92.1 | Very high | 80.8 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 145.3 | 176.7 | 67.2 | 0 | 0 | 0 | 0 | 109.8 | L117 F139 V140 V142 L145 L165 L171 E172 L173 | L117-V180 HydrophobicContact CD1-CG1 4.28Å; F139-V180 CarbonylContact C-O 3.41Å; F139-V180 WeakPolarHBondContact CA-O 3.35Å; V140-V180 PolarHBondContact N-O 3.45Å; V140-V180 PolarHBondContact O-N 3Å; V142-V180 HydrophobicContact CG2-CB 4.46Å; L145-V180 HydrophobicContact CD1-CG1 3.35Å; L165-V180 HydrophobicContact CD1-CB 4.33Å; L165-V180 HydrophobicContact CD1-CG1 4.43Å; L165-V180 HydrophobicContact CD1-CG2 4.36Å; L171-V180 HydrophobicContact CB-CG2 3.7Å; L171-V180 HydrophobicContact CD1-CG2 4.26Å; L171-V180 HydrophobicContact CG-CG2 4.46Å; E172-V180 CarbonylContact O-C 3.58Å; E172-V180 VanDerWaalsContact O-CA 3.31Å; E172-V180 WeakPolarHBondContact O-CA 3.26Å; E172-V180 WeakPolarHBondContact O-CG2 3.34Å; L173-V180 HydrophobicContact CD2-CB 3.92Å; L173-V180 HydrophobicContact CD2-CG2 4.22Å |
| 181 | R | 89.5 | Confident | 79.2 | Confident | 71 Ų | 71 | 65.2 Ų | 65.2 | 27% | 0.268 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 167 | 167.7 | 65.7 | 174.8 | 178.3 | -162.4 | -4.1 | 109.6 | F139 L171 E172 | F139-R181 HydrophobicContact CD1-CB 3.74Å; F139-R181 HydrophobicContact CD1-CG 4.01Å; F139-R181 HydrophobicContact CE1-CB 3.94Å; F139-R181 HydrophobicContact CE1-CG 3.65Å; F139-R181 HydrophobicContact CG-CB 4.3Å; F139-R181 HydrophobicContact CZ-CG 4.17Å; L171-R181 CarbonylContact C-O 3.51Å; L171-R181 WeakPolarHBondContact CA-O 3.22Å; E172-R181 HydrophobicContact CB-CG 4.06Å; E172-R181 VanDerWaalsContact CD-NE 3.35Å; E172-R181 PolarHBondContact N-O 3.09Å; E172-R181 PolarHBondContact O-N 3.05Å; E172-R181 IonicContact OE1-CZ 2.67Å; E172-R181 IonicContact OE1-NE 3.22Å; E172-R181 IonicContact OE1-NH2 3.72Å; E172-R181 PolarHBondContact OE1-NH2 2.94Å; E172-R181 IonicContact OE2-CZ 2.61Å; E172-R181 IonicContact OE2-NE 2.96Å; E172-R181 PolarHBondContact OE2-NE 3.3Å; E172-R181 IonicContact OE2-NH2 3.22Å; E172-R181 PolarHBondContact OE2-NH2 3.4Å |
| 182 | R | 89.1 | Confident | 77.5 | Confident | 29 Ų | 29 | 68.4 Ų | 68.4 | 11% | 0.109 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 145.3 | 164.2 | -67 | 175.1 | 66.3 | 171.2 | -12.2 | 109.5 | L117 D119 L171 S184 | L117-R182 HydrophobicContact CB-CG 4.18Å; L117-R182 WeakPolarHBondContact O-CD 3.38Å; L117-R182 VanDerWaalsContact O-CZ 3.3Å; L117-R182 PolarHBondContact O-NE 3.13Å; L117-R182 PolarHBondContact O-NH1 3.45Å; D119-R182 IonicContact OD1-CZ 2.73Å; D119-R182 IonicContact OD1-NH1 3.19Å; D119-R182 PolarHBondContact OD1-NH1 3.25Å; D119-R182 IonicContact OD1-NH2 3.8Å; D119-R182 PolarHBondContact OD1-NH2 3.09Å; D119-R182 IonicContact OD2-CZ 3.57Å; D119-R182 IonicContact OD2-NH1 2.69Å; D119-R182 IonicContact OD2-NH2 3.65Å; D119-R182 PolarHBondContact OD2-NH2 3.37Å; L171-R182 HydrophobicContact CD2-CB 4.43Å; L171-R182 HydrophobicContact CD2-CG 3.76Å; R182-S184 WeakPolarHBondContact CB-O 3.46Å; R182-S184 PolarHBondContact NE-OG 3.28Å; R182-S184 VanDerWaalsContact NE-OG 3.12Å; R182-S184 PolarHBondContact NH2-OG 2.89Å |
| 183 | K | 84 | Confident | 75.6 | Confident | 114 Ų | 114 | 68.8 Ų | 68.8 | 50% | 0.496 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -75.2 | -38.8 | 168.4 | -69.7 | 169.1 | 174.9 | 138.7 | 0 | 111.3 | K169 I170 L171 E172 | K169-K183 VanDerWaalsContact O-CD 3.29Å; K169-K183 WeakPolarHBondContact O-CD 3.42Å; K169-K183 PolarHBondContact O-NZ 3.16Å; I170-K183 WeakPolarHBondContact O-CB 3.35Å; I170-K183 PolarHBondContact O-N 3.32Å; L171-K183 WeakPolarHBondContact O-CE 3.44Å; L171-K183 PolarHBondContact O-NZ 2.95Å; E172-K183 HydrophobicContact CB-CG 3.82Å |
| 184 | S | 77.8 | Confident | 73.7 | Confident | 51 Ų | 51 | 71 Ų | 71 | 36% | 0.357 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -66.7 | 140.7 | 169.7 | 68 | 0 | 0 | 0 | 0 | 110 | R182 V186 | R182-S184 WeakPolarHBondContact CB-O 3.46Å; R182-S184 PolarHBondContact NE-OG 3.28Å; R182-S184 VanDerWaalsContact NE-OG 3.12Å; R182-S184 PolarHBondContact NH2-OG 2.89Å; S184-V186 PolarHBondContact O-N 2.82Å |
| 185 | A | 71.8 | Confident | 72.2 | Confident | 93 Ų | 93 | 70.5 Ų | 70.5 | 77% | 0.769 | 39% | 0.39 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 140.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | P187 | A185-P187 WeakPolarHBondContact O-CD 3.12Š|
| 186 | V | 67.3 | Low | 71.2 | Confident | 46 Ų | 46 | 64.6 Ų | 64.6 | 28% | 0.279 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -75 | 123.6 | 177.2 | -176.6 | 0 | 0 | 0 | 0 | 107.2 | L122 V132 S184 F189 | L122-V186 HydrophobicContact CD1-CG1 4.44Å; V132-V186 HydrophobicContact CG1-CG1 4.33Å; V132-V186 HydrophobicContact CG1-CG2 3.79Å; S184-V186 PolarHBondContact O-N 2.82Å; V186-F189 HydrophobicContact CG1-CD2 4.1Å; V186-F189 HydrophobicContact CG1-CE2 3.61Å |
| 187 | P | 64.5 | Low | 71 | Confident | 56 Ų | 56 | 65.7 Ų | 65.7 | 36% | 0.364 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -53.6 | 150.8 | 175 | -27.7 | 36.6 | 0 | 0 | 0 | 111.7 | D119 A185 F189 | D119-P187 HydrophobicContact CB-CG 4.46Å; D119-P187 WeakPolarHBondContact OD1-CD 3.26Å; D119-P187 WeakPolarHBondContact OD1-CG 2.92Å; A185-P187 WeakPolarHBondContact O-CD 3.12Å; P187-F189 HydrophobicContact CB-CE1 4.05Å; P187-F189 HydrophobicContact CB-CE2 4.25Å; P187-F189 HydrophobicContact CB-CZ 3.87Å; P187-F189 HydrophobicContact CG-CE1 4.4Å; P187-F189 HydrophobicContact CG-CE2 4.48Å; P187-F189 HydrophobicContact CG-CZ 3.93Å; P187-F189 WeakPolarHBondContact O-CD2 3.38Å; P187-F189 PolarHBondContact O-N 3.37Å |
| 188 | V | 59.3 | Low | 70.9 | Confident | 131 Ų | 131 | 66.6 Ų | 66.6 | 79% | 0.794 | 36% | 0.363 | S | S | * | . | trans | -78 | 74.7 | 179.3 | -173.7 | 0 | 0 | 0 | 0 | 108.8 | A190 | V188-A190 PolarHBondContact O-N 2.98Š| ||
| 189 | F | 60.1 | Low | 70.8 | Confident | 14 Ų | 14 | 60 Ų | 60 | 6% | 0.061 | 34% | 0.338 | C | S | . | . | trans | -57.3 | 111.7 | 179.4 | -61 | -69.4 | 0 | 0 | 0 | 110.7 | D119 L122 E123 L129 R133 V186 P187 S191 | D119-F189 HydrophobicContact CB-CE1 4.23Å; D119-F189 HydrophobicContact CB-CZ 3.97Å; D119-F189 VanDerWaalsContact O-CE1 3.26Å; D119-F189 WeakPolarHBondContact O-CE1 3.2Å; D119-F189 WeakPolarHBondContact O-CZ 3.29Å; L122-F189 HydrophobicContact CB-CD2 4.3Å; L122-F189 HydrophobicContact CB-CE2 3.62Å; L122-F189 HydrophobicContact CB-CZ 3.92Å; L122-F189 HydrophobicContact CD1-CE2 4.44Å; E123-F189 HydrophobicContact CB-CD1 3.67Å; E123-F189 HydrophobicContact CB-CE1 3.94Å; E123-F189 HydrophobicContact CB-CG 4.48Å; E123-F189 HydrophobicContact CG-CD1 4.18Å; L129-F189 HydrophobicContact CD1-CB 4.47Å; L129-F189 HydrophobicContact CD1-CD2 3.66Å; L129-F189 HydrophobicContact CD1-CE2 4.44Å; L129-F189 HydrophobicContact CD1-CG 4.47Å; L129-F189 HydrophobicContact CD2-CB 4.04Å; R133-F189 PolarHBondContact NH2-O 2.86Å; V186-F189 HydrophobicContact CG1-CD2 4.1Å; V186-F189 HydrophobicContact CG1-CE2 3.61Å; P187-F189 HydrophobicContact CB-CE1 4.05Å; P187-F189 HydrophobicContact CB-CE2 4.25Å; P187-F189 HydrophobicContact CB-CZ 3.87Å; P187-F189 HydrophobicContact CG-CE1 4.4Å; P187-F189 HydrophobicContact CG-CE2 4.48Å; P187-F189 HydrophobicContact CG-CZ 3.93Å; P187-F189 WeakPolarHBondContact O-CD2 3.38Å; P187-F189 PolarHBondContact O-N 3.37Å; F189-S191 PolarHBondContact O-N 3.39Å; F189-S191 VanDerWaalsContact O-N 3.17Å | ||
| 190 | A | 51.9 | Low | 70.4 | Confident | 44 Ų | 44 | 55.8 Ų | 55.8 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -65 | -24.6 | -170 | 0 | 0 | 0 | 0 | 0 | 112.2 | V188 E192 S193 L194 | V188-A190 PolarHBondContact O-N 2.98Å; A190-E192 VanDerWaalsContact C-N 3.28Å; A190-E192 PolarHBondContact O-N 3.25Å; A190-S193 PolarHBondContact O-N 3.2Å; A190-S193 VanDerWaalsContact O-N 3.13Å; A190-L194 HydrophobicContact CB-CD1 3.53Å; A190-L194 HydrophobicContact CB-CD2 3.94Å; A190-L194 HydrophobicContact CB-CG 3.55Å; A190-L194 VanDerWaalsContact O-CG 3.26Å; A190-L194 WeakPolarHBondContact O-CG 3.22Å; A190-L194 PolarHBondContact O-N 2.75Å |
| 191 | S | 53.1 | Low | 70.1 | Confident | 64 Ų | 64 | 55.8 Ų | 55.8 | 45% | 0.448 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -52.1 | -18.2 | -167.9 | 60.9 | 0 | 0 | 0 | 0 | 119.2 | F189 | F189-S191 PolarHBondContact O-N 3.39Å; F189-S191 VanDerWaalsContact O-N 3.17Å |
| 192 | E | 54 | Low | 69.7 | Low | 70 Ų | 70 | 52.4 Ų | 52.4 | 33% | 0.327 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -122.5 | -3 | 177.6 | -84.8 | -151.1 | 149.3 | 0 | 0 | 115.7 | K130 A190 | K130-E192 WeakPolarHBondContact CE-OE1 3.31Å; K130-E192 IonicContact NZ-OE1 3.82Å; K130-E192 PolarHBondContact NZ-OE1 3.36Å; K130-E192 IonicContact NZ-OE2 2.78Å; A190-E192 VanDerWaalsContact C-N 3.28Å; A190-E192 PolarHBondContact O-N 3.25Å |
| 193 | S | 50.9 | Low | 69.1 | Low | 76 Ų | 76 | 52.8 Ų | 52.8 | 53% | 0.531 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136.6 | 9.6 | 178.7 | 64.2 | 0 | 0 | 0 | 0 | 114.2 | A190 | A190-S193 PolarHBondContact O-N 3.2Å; A190-S193 VanDerWaalsContact O-N 3.13Å |
| 194 | L | 51 | Low | 68.6 | Low | 81 Ų | 81 | 47.5 Ų | 47.5 | 42% | 0.424 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -54.6 | 133.2 | 165.4 | -84.2 | 162.2 | 0 | 0 | 0 | 109.6 | A190 S196 V283 | A190-L194 HydrophobicContact CB-CD1 3.53Å; A190-L194 HydrophobicContact CB-CD2 3.94Å; A190-L194 HydrophobicContact CB-CG 3.55Å; A190-L194 VanDerWaalsContact O-CG 3.26Å; A190-L194 WeakPolarHBondContact O-CG 3.22Å; A190-L194 PolarHBondContact O-N 2.75Å; L194-S196 PolarHBondContact O-N 3.46Å; L194-V283 HydrophobicContact CD2-CG1 4Å |
| 195 | P | 58.2 | Low | 68 | Low | 30 Ų | 30 | 51.6 Ų | 51.6 | 20% | 0.195 | 30% | 0.302 | C | S | . | . | trans | -36.9 | 124.5 | 147.6 | -32.1 | 40.8 | 0 | 0 | 0 | 109.3 | V283 V287 L309 | P195-V283 HydrophobicContact CB-CG1 3.68Å; P195-V283 HydrophobicContact CG-CG1 4.3Å; P195-V283 VanDerWaalsContact O-CG1 3.22Å; P195-V283 WeakPolarHBondContact O-CG1 3.24Å; P195-V287 HydrophobicContact CB-CG2 3.56Å; P195-V287 HydrophobicContact CG-CG2 3.46Å; P195-V287 VanDerWaalsContact CG-CG2 3.46Å; P195-L309 HydrophobicContact CB-CD1 3.89Å; P195-L309 HydrophobicContact CB-CD2 3.51Å; P195-L309 HydrophobicContact CB-CG 4.1Å; P195-L309 HydrophobicContact CG-CD2 3.85Å | ||
| 196 | S | 67.4 | Low | 67.7 | Low | 42 Ų | 42 | 53.4 Ų | 53.4 | 29% | 0.294 | 29% | 0.293 | S | S | . | . | trans | -67 | 151.4 | 166.6 | -63.3 | 0 | 0 | 0 | 0 | 107.7 | L194 M198 L309 I310 G311 | L194-S196 PolarHBondContact O-N 3.46Å; S196-M198 PolarHBondContact O-N 2.85Å; S196-L309 VanDerWaalsContact O-CD1 3.31Å; S196-L309 WeakPolarHBondContact O-CD1 3.38Å; S196-I310 WeakPolarHBondContact CB-O 3.45Å; S196-I310 PolarHBondContact N-O 3.39Å; S196-I310 VanDerWaalsContact N-O 3.09Å; S196-I310 PolarHBondContact OG-O 3.14Å; S196-G311 WeakPolarHBondContact OG-CA 3.31Å | ||
| 197 | R | 80.9 | Confident | 68 | Low | 129 Ų | 129 | 51.4 Ų | 51.4 | 49% | 0.487 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -61.8 | 1.8 | 172.8 | -55.1 | 175.4 | 179.8 | -175.9 | -6.8 | 113.3 | E279 F280 E281 V283 | R197-E279 CarbonylContact O-C 3.53Å; R197-E279 WeakPolarHBondContact O-CA 3.29Å; R197-F280 HydrophobicContact CB-CB 4.49Å; R197-F280 VanDerWaalsContact CB-O 3.26Å; R197-F280 WeakPolarHBondContact CB-O 3.13Å; R197-F280 WeakPolarHBondContact CD-O 3.34Å; R197-F280 PolarHBondContact O-N 2.92Å; R197-E281 VanDerWaalsContact CD-O 3.25Å; R197-E281 WeakPolarHBondContact CD-O 3.06Å; R197-E281 PolarHBondContact NE-O 3.09Å; R197-E281 VanDerWaalsContact NE-O 3.1Å; R197-E281 PolarHBondContact NH1-O 3.05Å; R197-V283 HydrophobicContact CG-CB 4.49Å; R197-V283 HydrophobicContact CG-CG2 3.65Å |
| 198 | M | 84.4 | Confident | 67.9 | Low | 30 Ų | 30 | 52.6 Ų | 52.6 | 15% | 0.148 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 126.4 | -172.4 | -57.5 | 173.6 | 71 | 0 | 0 | 111.1 | S196 L260 I277 V278 E279 I310 | S196-M198 PolarHBondContact O-N 2.85Å; M198-L260 HydrophobicContact CE-CD2 4.09Å; M198-I277 HydrophobicContact CB-CG2 4.36Å; M198-I277 HydrophobicContact CE-CG2 3.65Å; M198-V278 CarbonylContact C-O 3.57Å; M198-V278 WeakPolarHBondContact CA-O 3.36Å; M198-E279 HydrophobicContact CG-CB 4.16Å; M198-E279 HydrophobicContact CG-CG 3.9Å; M198-I310 HydrophobicContact CB-CB 4.07Å; M198-I310 HydrophobicContact CB-CD1 3.99Å; M198-I310 HydrophobicContact CE-CD1 4.44Å; M198-I310 VanDerWaalsContact O-CB 3.31Å; M198-I310 WeakPolarHBondContact O-CB 3.48Å; M198-I310 PolarHBondContact O-N 3.35Å |
| 199 | L | 86.6 | Confident | 68.2 | Low | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 133.5 | 168.5 | -61.2 | -171.2 | 0 | 0 | 0 | 110.4 | F238 I277 V278 F280 A286 A289 N290 V307 L309 | L199-F238 HydrophobicContact CD1-CD1 4.3Å; L199-F238 HydrophobicContact CD1-CE1 4.01Å; L199-I277 VanDerWaalsContact O-CA 3.25Å; L199-I277 WeakPolarHBondContact O-CA 3.29Å; L199-V278 PolarHBondContact N-O 2.98Å; L199-V278 PolarHBondContact O-N 3.45Å; L199-F280 HydrophobicContact CD1-CE2 3.76Å; L199-F280 HydrophobicContact CG-CE2 4.03Å; L199-A286 HydrophobicContact CD2-CB 4.35Å; L199-A286 WeakPolarHBondContact CD2-O 3.38Å; L199-A289 HydrophobicContact CD1-CB 3.69Å; L199-N290 HydrophobicContact CD2-CB 3.9Å; L199-V307 HydrophobicContact CB-CG1 4.37Å; L199-V307 HydrophobicContact CD1-CG1 3.98Å; L199-V307 HydrophobicContact CD2-CG1 4.49Å; L199-L309 HydrophobicContact CD2-CB 4.15Å; L199-L309 HydrophobicContact CD2-CD1 3.61Å |
| 200 | L | 85.6 | Confident | 68.3 | Low | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 129.7 | 163.3 | -179.4 | 56.9 | 0 | 0 | 0 | 108.9 | Y267 L270 C275 I277 V307 V308 I310 | L200-Y267 HydrophobicContact CD2-CD1 4.2Å; L200-Y267 HydrophobicContact CD2-CD2 4.46Å; L200-Y267 HydrophobicContact CD2-CG 3.96Å; L200-L270 HydrophobicContact CD1-CD2 3.56Å; L200-L270 HydrophobicContact CD1-CG 4.35Å; L200-L270 HydrophobicContact CD2-CD2 4.19Å; L200-L270 HydrophobicContact CD2-CG 4.07Å; L200-C275 HydrophobicContact CD1-CB 3.87Å; L200-I277 HydrophobicContact CD1-CG1 4.02Å; L200-V307 CarbonylContact O-C 3.53Å; L200-V307 WeakPolarHBondContact O-CA 3.5Å; L200-V308 HydrophobicContact CB-CB 4.4Å; L200-V308 WeakPolarHBondContact CB-O 3.23Å; L200-V308 PolarHBondContact N-O 3.49Å; L200-V308 PolarHBondContact O-N 2.95Å; L200-I310 HydrophobicContact CB-CD1 3.91Å; L200-I310 HydrophobicContact CB-CG1 3.85Å |
| 201 | L | 85.6 | Confident | 68.7 | Low | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 117.6 | 172.3 | -52.2 | 177.2 | 0 | 0 | 0 | 107.4 | L204 L234 F238 C275 A276 V278 L305 V307 | L201-L204 HydrophobicContact CB-CD2 4.24Å; L201-L234 HydrophobicContact CD1-CD1 4.45Å; L201-L234 HydrophobicContact CD1-CD2 3.24Å; L201-L234 HydrophobicContact CD1-CG 4.48Å; L201-F238 HydrophobicContact CD1-CD2 4.27Å; L201-F238 HydrophobicContact CD1-CE2 3.5Å; L201-F238 VanDerWaalsContact CD1-CE2 3.5Å; L201-F238 HydrophobicContact CD1-CZ 3.83Å; L201-F238 HydrophobicContact CD2-CE1 4.23Å; L201-F238 HydrophobicContact CD2-CE2 4.08Å; L201-F238 HydrophobicContact CD2-CZ 3.5Å; L201-F238 VanDerWaalsContact CD2-CZ 3.5Å; L201-F238 HydrophobicContact CG-CE2 4.47Å; L201-F238 HydrophobicContact CG-CZ 4.34Å; L201-C275 CarbonylContact O-C 3.57Å; L201-C275 WeakPolarHBondContact O-CA 3.2Å; L201-C275 WeakPolarHBondContact O-CB 3.38Å; L201-A276 HydrophobicContact CB-CB 4.26Å; L201-A276 HydrophobicContact CD1-CB 4.26Å; L201-A276 PolarHBondContact N-O 3.12Å; L201-A276 PolarHBondContact O-N 2.82Å; L201-V278 HydrophobicContact CD1-CG2 3.71Å; L201-L305 HydrophobicContact CB-CD1 4.36Å; L201-L305 HydrophobicContact CD1-CD1 4.45Å; L201-L305 HydrophobicContact CD2-CD1 4.32Å; L201-V307 HydrophobicContact CD2-CB 4.09Å; L201-V307 HydrophobicContact CD2-CG1 3.81Å; L201-V307 HydrophobicContact CD2-CG2 3.54Å |
| 202 | S | 80.7 | Confident | 69.1 | Low | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 165.8 | 171.9 | -62.7 | 0 | 0 | 0 | 0 | 110 | C275 K306 | S202-C275 PolarHBondContact OG-SG 2.92Å; S202-K306 PolarHBondContact N-O 3.01Å; S202-K306 PolarHBondContact O-N 3.4Å; S202-K306 VanDerWaalsContact O-N 3.17Å |
| 203 | D | 75.9 | Confident | 69.3 | Low | 38 Ų | 38 | 50.3 Ų | 50.3 | 20% | 0.203 | 27% | 0.274 | C | S | . | . | trans | 65.5 | 34.7 | -179.1 | -63.3 | -75.4 | 0 | 0 | 0 | 114.8 | Q205 K206 | D203-Q205 PolarHBondContact O-N 2.73Å; D203-K206 HydrophobicContact CB-CB 4.43Å; D203-K206 HydrophobicContact CB-CD 3.99Å; D203-K206 HydrophobicContact CB-CG 4.29Å; D203-K206 WeakPolarHBondContact O-CB 3.32Å; D203-K206 PolarHBondContact O-N 3.46Å; D203-K206 WeakPolarHBondContact OD1-CE 3.3Å; D203-K206 IonicContact OD1-NZ 2.66Å; D203-K206 PolarHBondContact OD1-NZ 3.17Å | ||
| 204 | L | 74.3 | Confident | 69.5 | Low | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -51.7 | -32.9 | -179.8 | -66.8 | 173.5 | 0 | 0 | 0 | 114.3 | L201 K206 W207 L230 E274 A276 L305 | L201-L204 HydrophobicContact CB-CD2 4.24Å; L204-K206 PolarHBondContact O-N 2.71Å; L204-W207 WeakPolarHBondContact O-CB 3.12Å; L204-W207 PolarHBondContact O-N 2.91Å; L204-L230 HydrophobicContact CB-CD1 4.08Å; L204-L230 HydrophobicContact CD1-CD1 3.92Å; L204-L230 HydrophobicContact CD1-CD2 4.29Å; L204-L230 HydrophobicContact CD2-CD1 4.28Å; L204-L230 HydrophobicContact CG-CD1 4.32Å; L204-E274 HydrophobicContact CD1-CB 4.4Å; L204-A276 HydrophobicContact CD1-CB 3.89Å; L204-A276 HydrophobicContact CD2-CB 4.08Å; L204-L305 HydrophobicContact CD2-CD2 4.15Å |
| 205 | Q | 65.1 | Low | 69.7 | Low | 136 Ų | 136 | 54.7 Ų | 54.7 | 64% | 0.636 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -67.6 | -18.1 | 178.1 | -63 | 171.2 | -5.8 | 0 | 0 | 113.8 | D203 E274 | D203-Q205 PolarHBondContact O-N 2.73Å; Q205-E274 VanDerWaalsContact CG-OE2 3.26Å; Q205-E274 WeakPolarHBondContact CG-OE2 3.37Å; Q205-E274 PolarHBondContact NE2-OE2 2.96Å |
| 206 | K | 66 | Low | 69.4 | Low | 132 Ų | 132 | 60.9 Ų | 60.9 | 57% | 0.574 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -90.3 | -1.3 | 178 | -60.3 | -178 | -172.4 | 148.9 | 0 | 112.8 | D203 L204 P208 | D203-K206 HydrophobicContact CB-CB 4.43Å; D203-K206 HydrophobicContact CB-CD 3.99Å; D203-K206 HydrophobicContact CB-CG 4.29Å; D203-K206 WeakPolarHBondContact O-CB 3.32Å; D203-K206 PolarHBondContact O-N 3.46Å; D203-K206 WeakPolarHBondContact OD1-CE 3.3Å; D203-K206 IonicContact OD1-NZ 2.66Å; D203-K206 PolarHBondContact OD1-NZ 3.17Å; L204-K206 PolarHBondContact O-N 2.71Å; K206-P208 WeakPolarHBondContact O-CD 3.44Å |
| 207 | W | 72.3 | Confident | 68.6 | Low | 4 Ų | 4 | 62.9 Ų | 62.9 | 2% | 0.015 | 33% | 0.325 | C | S | . | . | trans | -70.9 | 116.1 | 176.4 | -164.5 | -35.4 | 0 | 0 | 0 | 110.1 | L204 E209 L210 A211 L233 L234 A237 F238 L303 L305 | L204-W207 WeakPolarHBondContact O-CB 3.12Å; L204-W207 PolarHBondContact O-N 2.91Å; W207-E209 PolarHBondContact NE1-OE2 2.69Å; W207-E209 PolarHBondContact O-N 3.27Å; W207-L210 HydrophobicContact CB-CB 4.11Å; W207-L210 WeakPolarHBondContact O-CB 3.38Å; W207-L210 PolarHBondContact O-N 2.87Å; W207-L210 VanDerWaalsContact O-N 3.15Å; W207-A211 PolarHBondContact O-N 2.73Å; W207-L233 HydrophobicContact CD2-CD2 3.79Å; W207-L233 HydrophobicContact CE3-CD2 4.22Å; W207-L233 HydrophobicContact CG-CD2 4.15Å; W207-L233 HydrophobicContact CH2-CD2 4.5Å; W207-L233 HydrophobicContact CH2-CG 4.22Å; W207-L233 HydrophobicContact CZ2-CD1 4.33Å; W207-L233 HydrophobicContact CZ2-CD2 4.03Å; W207-L233 HydrophobicContact CZ2-CG 3.85Å; W207-L234 HydrophobicContact CH2-CD2 4.37Å; W207-L234 HydrophobicContact CZ3-CD2 3.79Å; W207-A237 HydrophobicContact CH2-CB 3.65Å; W207-A237 HydrophobicContact CZ2-CB 3.87Å; W207-F238 HydrophobicContact CH2-CE2 4.26Å; W207-F238 HydrophobicContact CZ3-CE2 4.39Å; W207-L303 HydrophobicContact CH2-CD1 3.91Å; W207-L303 HydrophobicContact CZ2-CB 4.35Å; W207-L303 HydrophobicContact CZ2-CD1 3.7Å; W207-L303 HydrophobicContact CZ2-CD2 4.31Å; W207-L303 HydrophobicContact CZ2-CG 4.34Å; W207-L305 HydrophobicContact CB-CD2 4.23Å; W207-L305 HydrophobicContact CD2-CD1 4.31Å; W207-L305 HydrophobicContact CD2-CD2 4.48Å; W207-L305 HydrophobicContact CD2-CG 4.25Å; W207-L305 HydrophobicContact CE3-CD1 3.36Å; W207-L305 HydrophobicContact CE3-CD2 3.87Å; W207-L305 HydrophobicContact CE3-CG 3.68Å; W207-L305 HydrophobicContact CH2-CD1 4.22Å; W207-L305 HydrophobicContact CZ3-CD1 3.29Å; W207-L305 HydrophobicContact CZ3-CG 4.11Å | ||
| 208 | P | 62.6 | Low | 67.1 | Low | 80 Ų | 80 | 60.7 Ų | 60.7 | 52% | 0.519 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.7 | -36.3 | -174.4 | 24 | -33.4 | 0 | 0 | 0 | 114.4 | K206 L210 A211 A212 | K206-P208 WeakPolarHBondContact O-CD 3.44Å; P208-L210 VanDerWaalsContact C-N 3.33Å; P208-L210 PolarHBondContact O-N 3.06Å; P208-A211 CarbonylContact O-C 3.6Å; P208-A211 PolarHBondContact O-N 3.12Å; P208-A212 PolarHBondContact O-N 2.98Å |
| 209 | E | 64.7 | Low | 65.2 | Low | 79 Ų | 79 | 62.9 Ų | 62.9 | 37% | 0.369 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.9 | -34.7 | 173.2 | -64.8 | 174.6 | 108.8 | 0 | 0 | 113 | W207 A212 L213 L233 | W207-E209 PolarHBondContact NE1-OE2 2.69Å; W207-E209 PolarHBondContact O-N 3.27Å; E209-A212 PolarHBondContact O-N 3.28Å; E209-L213 PolarHBondContact O-N 2.96Å; E209-L233 HydrophobicContact CB-CD1 4.13Å; E209-L233 HydrophobicContact CB-CD2 4.16Å |
| 210 | L | 64.1 | Low | 63.5 | Low | 12 Ų | 12 | 71.2 Ų | 71.2 | 6% | 0.063 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -65.5 | -42.6 | 173.8 | -164.2 | 87.2 | 0 | 0 | 0 | 110.5 | W207 P208 A212 L213 T214 L230 L233 | W207-L210 HydrophobicContact CB-CB 4.11Å; W207-L210 WeakPolarHBondContact O-CB 3.38Å; W207-L210 PolarHBondContact O-N 2.87Å; W207-L210 VanDerWaalsContact O-N 3.15Å; P208-L210 VanDerWaalsContact C-N 3.33Å; P208-L210 PolarHBondContact O-N 3.06Å; L210-A212 VanDerWaalsContact C-N 3.27Å; L210-A212 PolarHBondContact O-N 2.98Å; L210-L213 PolarHBondContact O-N 3.48Å; L210-T214 PolarHBondContact O-N 3.48Å; L210-T214 VanDerWaalsContact O-N 3.09Å; L210-T214 PolarHBondContact O-OG1 2.77Å; L210-L230 HydrophobicContact CD1-CB 3.97Å; L210-L230 HydrophobicContact CD1-CD1 3.97Å; L210-L230 HydrophobicContact CD1-CG 4.22Å; L210-L230 HydrophobicContact CD2-CD1 4.23Å; L210-L233 HydrophobicContact CB-CD2 4.43Å; L210-L233 HydrophobicContact CD1-CD2 4.42Å |
| 211 | A | 59.7 | Low | 61.8 | Low | 46 Ų | 46 | 79.1 Ų | 79.1 | 38% | 0.38 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -68.4 | -22.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | W207 P208 T214 K215 | W207-A211 PolarHBondContact O-N 2.73Å; P208-A211 CarbonylContact O-C 3.6Å; P208-A211 PolarHBondContact O-N 3.12Å; A211-T214 WeakPolarHBondContact CA-OG1 3.46Å; A211-T214 PolarHBondContact O-OG1 3.35Å; A211-K215 WeakPolarHBondContact O-CG 3.31Å |
| 212 | A | 61.1 | Low | 59.9 | Low | 58 Ų | 58 | 81.4 Ų | 81.4 | 48% | 0.479 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -75.9 | -48.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | P208 E209 L210 T214 K215 | P208-A212 PolarHBondContact O-N 2.98Å; E209-A212 PolarHBondContact O-N 3.28Å; L210-A212 VanDerWaalsContact C-N 3.27Å; L210-A212 PolarHBondContact O-N 2.98Å; A212-T214 VanDerWaalsContact C-N 3.3Å; A212-T214 PolarHBondContact O-N 2.84Å; A212-K215 PolarHBondContact O-N 3.44Å; A212-K215 VanDerWaalsContact O-N 3.1Å |
| 213 | L | 57.6 | Low | 58.7 | Low | 80 Ų | 80 | 83.5 Ų | 83.5 | 42% | 0.419 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.6 | -33.5 | 178.5 | -102.8 | 121.6 | 0 | 0 | 0 | 113.6 | E209 L210 K215 Q229 | E209-L213 PolarHBondContact O-N 2.96Å; L210-L213 PolarHBondContact O-N 3.48Å; L213-K215 VanDerWaalsContact C-N 3.27Å; L213-K215 PolarHBondContact O-N 3.19Å; L213-Q229 HydrophobicContact CD2-CB 4.4Å; L213-Q229 HydrophobicContact CD2-CG 3.96Å |
| 214 | T | 56.5 | Low | 57.8 | Low | 70 Ų | 70 | 84.3 Ų | 84.3 | 43% | 0.429 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -75 | -11.2 | 176.7 | 51 | 0 | 0 | 0 | 0 | 114.3 | L210 A211 A212 | L210-T214 PolarHBondContact O-N 3.48Å; L210-T214 VanDerWaalsContact O-N 3.09Å; L210-T214 PolarHBondContact O-OG1 2.77Å; A211-T214 WeakPolarHBondContact CA-OG1 3.46Å; A211-T214 PolarHBondContact O-OG1 3.35Å; A212-T214 VanDerWaalsContact C-N 3.3Å; A212-T214 PolarHBondContact O-N 2.84Å |
| 215 | K | 55 | Low | 57.6 | Low | 179 Ų | 179 | 87 Ų | 87 | 78% | 0.778 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -86.9 | -32.4 | 177.5 | -79.3 | -179.4 | 176.9 | -178.2 | 0 | 114.1 | A211 A212 L213 | A211-K215 WeakPolarHBondContact O-CG 3.31Å; A212-K215 PolarHBondContact O-N 3.44Å; A212-K215 VanDerWaalsContact O-N 3.1Å; L213-K215 VanDerWaalsContact C-N 3.27Å; L213-K215 PolarHBondContact O-N 3.19Å |
| 216 | D | 51.4 | Low | 57.9 | Low | 161 Ų | 161 | 84 Ų | 84 | 86% | 0.861 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -76.9 | -32.8 | 177.4 | -99.8 | -11.1 | 0 | 0 | 0 | 112.3 | G218 | D216-G218 PolarHBondContact O-N 2.97Å; D216-G218 VanDerWaalsContact O-N 3.16Å |
| 217 | N | 50.7 | Low | 58.4 | Low | 83 Ų | 83 | 81.7 Ų | 81.7 | 44% | 0.444 | 49% | 0.494 | S | S | . | . | trans | -94.4 | 65.3 | -174.2 | -152.2 | 79.7 | 0 | 0 | 0 | 112.1 | S219 | N217-S219 PolarHBondContact ND2-OG 2.97Å; N217-S219 PolarHBondContact O-N 3.03Å | ||
| 218 | G | 49.3 | Very low | 58.8 | Low | 84 Ų | 84 | 86.1 Ų | 86.1 | 87% | 0.866 | 51% | 0.514 | S | S | * | . | trans | -69.5 | 39.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | D216 | D216-G218 PolarHBondContact O-N 2.97Å; D216-G218 VanDerWaalsContact O-N 3.16Å | ||
| 219 | S | 44.9 | Very low | 59.6 | Low | 76 Ų | 76 | 84.3 Ų | 84.3 | 53% | 0.531 | 50% | 0.499 | S | S | . | . | trans | -123.6 | 125.1 | 176.5 | 54.9 | 0 | 0 | 0 | 0 | 111.5 | N217 E221 | N217-S219 PolarHBondContact ND2-OG 2.97Å; N217-S219 PolarHBondContact O-N 3.03Å; S219-E221 PolarHBondContact O-N 3.15Å | ||
| 220 | N | 50.2 | Low | 60.3 | Low | 175 Ų | 175 | 81.1 Ų | 81.1 | 94% | 0.936 | 48% | 0.484 | S | S | * | . | trans | -80.3 | 46.4 | -169.5 | -170.6 | 37.3 | 0 | 0 | 0 | 113.3 | ||||
| 221 | E | 49.8 | Very low | 61.3 | Low | 165 Ų | 165 | 84.6 Ų | 84.6 | 77% | 0.771 | 50% | 0.501 | S | S | * | . | trans | -123.3 | 124.4 | -177.5 | -71.5 | -137.5 | 114.1 | 0 | 0 | 114 | S219 | S219-E221 PolarHBondContact O-N 3.15Š| ||
| 222 | G | 46 | Very low | 62.5 | Low | 49 Ų | 49 | 89 Ų | 89 | 51% | 0.505 | 51% | 0.512 | S | S | . | . | trans | 77.4 | 98.8 | 160 | 0 | 0 | 0 | 0 | 0 | 115.7 | A224 T225 | G222-A224 PolarHBondContact O-N 2.84Å; G222-T225 PolarHBondContact O-N 2.89Å; G222-T225 PolarHBondContact O-OG1 2.65Å | ||
| 223 | G | 56.4 | Low | 63.6 | Low | 43 Ų | 43 | 86.9 Ų | 86.9 | 44% | 0.443 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | 15.6 | 165 | 0 | 0 | 0 | 0 | 0 | 115.6 | K251 | G223-K251 PolarHBondContact O-NZ 3.17Š|
| 224 | A | 56.6 | Low | 65 | Low | 55 Ų | 55 | 83.1 Ų | 83.1 | 46% | 0.455 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -42.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | G222 Q226 Q227 E228 | G222-A224 PolarHBondContact O-N 2.84Å; A224-Q226 PolarHBondContact O-N 2.87Å; A224-Q227 CarbonylContact O-C 3.52Å; A224-Q227 WeakPolarHBondContact O-CA 3.42Å; A224-Q227 WeakPolarHBondContact O-CB 3.49Å; A224-Q227 PolarHBondContact O-N 3.33Å; A224-E228 WeakPolarHBondContact O-CG 3.41Å; A224-E228 PolarHBondContact O-N 3.47Å |
| 225 | T | 68.6 | Low | 66.5 | Low | 61 Ų | 61 | 84 Ų | 84 | 37% | 0.374 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.7 | -45.2 | -179.4 | 59.6 | 0 | 0 | 0 | 0 | 111.2 | G222 Q227 E228 Q229 | G222-T225 PolarHBondContact O-N 2.89Å; G222-T225 PolarHBondContact O-OG1 2.65Å; T225-Q227 VanDerWaalsContact C-N 3.28Å; T225-Q227 PolarHBondContact O-N 2.96Å; T225-E228 PolarHBondContact O-N 2.84Å; T225-Q229 WeakPolarHBondContact O-CB 3.33Å; T225-Q229 VanDerWaalsContact O-CG 3.25Å; T225-Q229 WeakPolarHBondContact O-CG 3.14Å; T225-Q229 PolarHBondContact O-N 3.39Å |
| 226 | Q | 73.3 | Confident | 68.1 | Low | 73 Ų | 73 | 82.8 Ų | 82.8 | 34% | 0.341 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -58.6 | -37.7 | 172.7 | -169.4 | -169.2 | 10.2 | 0 | 0 | 112.3 | A224 L230 | A224-Q226 PolarHBondContact O-N 2.87Å; Q226-L230 VanDerWaalsContact O-CB 3.24Å; Q226-L230 WeakPolarHBondContact O-CB 3.02Å; Q226-L230 PolarHBondContact O-N 3.22Å |
| 227 | Q | 76.1 | Confident | 69.7 | Low | 83 Ų | 83 | 76.1 Ų | 76.1 | 39% | 0.388 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -73.3 | -37.5 | 179.3 | -173.4 | 176.2 | -46.4 | 0 | 0 | 111.6 | A224 T225 M231 V249 | A224-Q227 CarbonylContact O-C 3.52Å; A224-Q227 WeakPolarHBondContact O-CA 3.42Å; A224-Q227 WeakPolarHBondContact O-CB 3.49Å; A224-Q227 PolarHBondContact O-N 3.33Å; T225-Q227 VanDerWaalsContact C-N 3.28Å; T225-Q227 PolarHBondContact O-N 2.96Å; Q227-M231 VanDerWaalsContact O-CB 3.31Å; Q227-M231 WeakPolarHBondContact O-CB 3.46Å; Q227-M231 PolarHBondContact O-N 3.04Å; Q227-V249 HydrophobicContact CG-CB 4.12Å; Q227-V249 HydrophobicContact CG-CG1 4.34Å; Q227-V249 HydrophobicContact CG-CG2 4.12Å |
| 228 | E | 79.6 | Confident | 71.5 | Confident | 96 Ų | 96 | 72.2 Ų | 72.2 | 45% | 0.449 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -68.4 | -42.1 | 173.7 | -72.6 | 174.5 | -157.3 | 0 | 0 | 112.5 | A224 T225 M231 K232 | A224-E228 WeakPolarHBondContact O-CG 3.41Å; A224-E228 PolarHBondContact O-N 3.47Å; T225-E228 PolarHBondContact O-N 2.84Å; E228-M231 PolarHBondContact O-N 3.38Å; E228-K232 WeakPolarHBondContact O-CB 3.43Å; E228-K232 VanDerWaalsContact O-CG 3.31Å; E228-K232 WeakPolarHBondContact O-CG 3.49Å; E228-K232 PolarHBondContact O-N 2.81Å |
| 229 | Q | 79.8 | Confident | 73.3 | Confident | 42 Ų | 42 | 70.2 Ų | 70.2 | 20% | 0.196 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -60.2 | -46.4 | 173.4 | -74 | 169.7 | -15.5 | 0 | 0 | 110.6 | L213 T225 K232 L233 | L213-Q229 HydrophobicContact CD2-CB 4.4Å; L213-Q229 HydrophobicContact CD2-CG 3.96Å; T225-Q229 WeakPolarHBondContact O-CB 3.33Å; T225-Q229 VanDerWaalsContact O-CG 3.25Å; T225-Q229 WeakPolarHBondContact O-CG 3.14Å; T225-Q229 PolarHBondContact O-N 3.39Å; Q229-K232 PolarHBondContact O-N 2.85Å; Q229-L233 WeakPolarHBondContact O-CB 3.44Å; Q229-L233 PolarHBondContact O-N 2.82Å |
| 230 | L | 80.8 | Confident | 75.4 | Confident | 12 Ų | 12 | 71.3 Ų | 71.3 | 6% | 0.063 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 176 | -170.3 | 142.4 | 0 | 0 | 0 | 111.7 | L204 L210 Q226 L233 L234 V249 A276 | L204-L230 HydrophobicContact CB-CD1 4.08Å; L204-L230 HydrophobicContact CD1-CD1 3.92Å; L204-L230 HydrophobicContact CD1-CD2 4.29Å; L204-L230 HydrophobicContact CD2-CD1 4.28Å; L204-L230 HydrophobicContact CG-CD1 4.32Å; L210-L230 HydrophobicContact CD1-CB 3.97Å; L210-L230 HydrophobicContact CD1-CD1 3.97Å; L210-L230 HydrophobicContact CD1-CG 4.22Å; L210-L230 HydrophobicContact CD2-CD1 4.23Å; Q226-L230 VanDerWaalsContact O-CB 3.24Å; Q226-L230 WeakPolarHBondContact O-CB 3.02Å; Q226-L230 PolarHBondContact O-N 3.22Å; L230-L233 PolarHBondContact O-N 2.81Å; L230-L234 HydrophobicContact CD2-CD1 3.57Å; L230-L234 HydrophobicContact CD2-CG 4.1Å; L230-L234 WeakPolarHBondContact O-CB 3.4Å; L230-L234 VanDerWaalsContact O-CG 3.27Å; L230-L234 WeakPolarHBondContact O-CG 3.48Å; L230-L234 PolarHBondContact O-N 3.49Å; L230-V249 HydrophobicContact CD2-CG1 4.21Å; L230-V249 HydrophobicContact CD2-CG2 3.65Å; L230-A276 HydrophobicContact CD2-CB 4.45Å |
| 231 | M | 83.9 | Confident | 77.2 | Confident | 85 Ų | 85 | 65.9 Ų | 65.9 | 42% | 0.419 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.6 | -48 | 174.2 | -175.6 | 175.6 | 71.3 | 0 | 0 | 111.6 | Q227 E228 L233 L234 L235 | Q227-M231 VanDerWaalsContact O-CB 3.31Å; Q227-M231 WeakPolarHBondContact O-CB 3.46Å; Q227-M231 PolarHBondContact O-N 3.04Å; E228-M231 PolarHBondContact O-N 3.38Å; M231-L233 VanDerWaalsContact C-N 3.31Å; M231-L233 PolarHBondContact O-N 2.85Å; M231-L234 PolarHBondContact O-N 2.99Å; M231-L235 HydrophobicContact CG-CD1 3.75Å; M231-L235 WeakPolarHBondContact O-CD1 3.2Å; M231-L235 PolarHBondContact O-N 3.21Å |
| 232 | K | 84.4 | Confident | 79.1 | Confident | 139 Ų | 139 | 59 Ų | 59 | 60% | 0.604 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -58 | -42.3 | 175.5 | -74.8 | 166.7 | 179.6 | 167.4 | 0 | 111.8 | E228 Q229 L235 K236 | E228-K232 WeakPolarHBondContact O-CB 3.43Å; E228-K232 VanDerWaalsContact O-CG 3.31Å; E228-K232 WeakPolarHBondContact O-CG 3.49Å; E228-K232 PolarHBondContact O-N 2.81Å; Q229-K232 PolarHBondContact O-N 2.85Å; K232-L235 PolarHBondContact O-N 2.88Å; K232-K236 WeakPolarHBondContact O-CB 3.27Å; K232-K236 PolarHBondContact O-N 3.49Å |
| 233 | L | 84.8 | Confident | 81.2 | Confident | 14 Ų | 14 | 59.1 Ų | 59.1 | 7% | 0.073 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.4 | -42.3 | 177 | -171.1 | 64.7 | 0 | 0 | 0 | 111.8 | W207 E209 L210 Q229 L230 M231 K236 A237 | W207-L233 HydrophobicContact CD2-CD2 3.79Å; W207-L233 HydrophobicContact CE3-CD2 4.22Å; W207-L233 HydrophobicContact CG-CD2 4.15Å; W207-L233 HydrophobicContact CH2-CD2 4.5Å; W207-L233 HydrophobicContact CH2-CG 4.22Å; W207-L233 HydrophobicContact CZ2-CD1 4.33Å; W207-L233 HydrophobicContact CZ2-CD2 4.03Å; W207-L233 HydrophobicContact CZ2-CG 3.85Å; E209-L233 HydrophobicContact CB-CD1 4.13Å; E209-L233 HydrophobicContact CB-CD2 4.16Å; L210-L233 HydrophobicContact CB-CD2 4.43Å; L210-L233 HydrophobicContact CD1-CD2 4.42Å; Q229-L233 WeakPolarHBondContact O-CB 3.44Å; Q229-L233 PolarHBondContact O-N 2.82Å; L230-L233 PolarHBondContact O-N 2.81Å; M231-L233 VanDerWaalsContact C-N 3.31Å; M231-L233 PolarHBondContact O-N 2.85Å; L233-K236 PolarHBondContact O-N 2.97Å; L233-A237 WeakPolarHBondContact O-CB 3.26Å; L233-A237 PolarHBondContact O-N 2.87Å |
| 234 | L | 86.3 | Confident | 82.8 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.5 | -46.7 | 174.2 | -72.7 | 178.4 | 0 | 0 | 0 | 112 | L201 W207 L230 M231 K236 A237 F238 V247 A276 V278 | L201-L234 HydrophobicContact CD1-CD1 4.45Å; L201-L234 HydrophobicContact CD1-CD2 3.24Å; L201-L234 HydrophobicContact CD1-CG 4.48Å; W207-L234 HydrophobicContact CH2-CD2 4.37Å; W207-L234 HydrophobicContact CZ3-CD2 3.79Å; L230-L234 HydrophobicContact CD2-CD1 3.57Å; L230-L234 HydrophobicContact CD2-CG 4.1Å; L230-L234 WeakPolarHBondContact O-CB 3.4Å; L230-L234 VanDerWaalsContact O-CG 3.27Å; L230-L234 WeakPolarHBondContact O-CG 3.48Å; L230-L234 PolarHBondContact O-N 3.49Å; M231-L234 PolarHBondContact O-N 2.99Å; L234-K236 VanDerWaalsContact C-N 3.33Å; L234-K236 PolarHBondContact O-N 2.91Å; L234-A237 PolarHBondContact O-N 3.35Å; L234-F238 HydrophobicContact CD2-CD2 3.82Å; L234-F238 HydrophobicContact CD2-CE2 3.67Å; L234-F238 VanDerWaalsContact O-CB 3.3Å; L234-F238 WeakPolarHBondContact O-CB 3.43Å; L234-F238 WeakPolarHBondContact O-CD2 3.41Å; L234-F238 PolarHBondContact O-N 2.89Å; L234-V247 HydrophobicContact CB-CG1 4.33Å; L234-V247 HydrophobicContact CD1-CG1 3.58Å; L234-A276 HydrophobicContact CD1-CB 3.63Å; L234-V278 HydrophobicContact CD1-CG2 4.3Å; L234-V278 HydrophobicContact CD2-CG2 4.29Å |
| 235 | L | 88.2 | Confident | 84.4 | Confident | 88 Ų | 88 | 59.8 Ų | 59.8 | 46% | 0.461 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62 | -41.2 | 176.1 | -86.3 | 82.7 | 0 | 0 | 0 | 111.5 | M231 K232 G239 I244 V247 | M231-L235 HydrophobicContact CG-CD1 3.75Å; M231-L235 WeakPolarHBondContact O-CD1 3.2Å; M231-L235 PolarHBondContact O-N 3.21Å; K232-L235 PolarHBondContact O-N 2.88Å; L235-G239 VanDerWaalsContact O-CA 3.3Å; L235-G239 WeakPolarHBondContact O-CA 3.3Å; L235-G239 PolarHBondContact O-N 2.61Å; L235-I244 HydrophobicContact CG-CD1 4.32Å; L235-V247 HydrophobicContact CD1-CG2 3.83Å |
| 236 | K | 88.3 | Confident | 85.2 | Confident | 154 Ų | 154 | 58.4 Ų | 58.4 | 67% | 0.67 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -64.5 | -47.1 | 178.3 | -174.7 | -177 | 177.8 | -169.2 | 0 | 112.5 | K232 L233 L234 | K232-K236 WeakPolarHBondContact O-CB 3.27Å; K232-K236 PolarHBondContact O-N 3.49Å; L233-K236 PolarHBondContact O-N 2.97Å; L234-K236 VanDerWaalsContact C-N 3.33Å; L234-K236 PolarHBondContact O-N 2.91Å |
| 237 | A | 85.5 | Confident | 86 | Confident | 21 Ų | 21 | 56.6 Ų | 56.6 | 17% | 0.174 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -71.7 | -50.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | W207 L233 L234 T240 Y241 L303 | W207-A237 HydrophobicContact CH2-CB 3.65Å; W207-A237 HydrophobicContact CZ2-CB 3.87Å; L233-A237 WeakPolarHBondContact O-CB 3.26Å; L233-A237 PolarHBondContact O-N 2.87Å; L234-A237 PolarHBondContact O-N 3.35Å; A237-T240 PolarHBondContact O-OG1 2.96Å; A237-Y241 WeakPolarHBondContact O-CE2 3.48Å; A237-L303 HydrophobicContact CB-CD1 4.4Å |
| 238 | F | 88.2 | Confident | 86.4 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 0% | 0.004 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -81.3 | -24.6 | -173.1 | -71.8 | -78.6 | 0 | 0 | 0 | 114 | L199 L201 W207 L234 T240 Y241 I244 V278 F280 A289 V293 | L199-F238 HydrophobicContact CD1-CD1 4.3Å; L199-F238 HydrophobicContact CD1-CE1 4.01Å; L201-F238 HydrophobicContact CD1-CD2 4.27Å; L201-F238 HydrophobicContact CD1-CE2 3.5Å; L201-F238 VanDerWaalsContact CD1-CE2 3.5Å; L201-F238 HydrophobicContact CD1-CZ 3.83Å; L201-F238 HydrophobicContact CD2-CE1 4.23Å; L201-F238 HydrophobicContact CD2-CE2 4.08Å; L201-F238 HydrophobicContact CD2-CZ 3.5Å; L201-F238 VanDerWaalsContact CD2-CZ 3.5Å; L201-F238 HydrophobicContact CG-CE2 4.47Å; L201-F238 HydrophobicContact CG-CZ 4.34Å; W207-F238 HydrophobicContact CH2-CE2 4.26Å; W207-F238 HydrophobicContact CZ3-CE2 4.39Å; L234-F238 HydrophobicContact CD2-CD2 3.82Å; L234-F238 HydrophobicContact CD2-CE2 3.67Å; L234-F238 VanDerWaalsContact O-CB 3.3Å; L234-F238 WeakPolarHBondContact O-CB 3.43Å; L234-F238 WeakPolarHBondContact O-CD2 3.41Å; L234-F238 PolarHBondContact O-N 2.89Å; F238-T240 PolarHBondContact O-N 3.23Å; F238-Y241 HydrophobicContact CD1-CD2 4.31Å; F238-Y241 PolarHBondContact O-N 3.02Å; F238-I244 HydrophobicContact CB-CD1 3.88Å; F238-V278 HydrophobicContact CB-CG1 4.2Å; F238-V278 HydrophobicContact CD2-CG2 4.23Å; F238-V278 HydrophobicContact CG-CG1 4.41Å; F238-V278 HydrophobicContact CG-CG2 4.49Å; F238-F280 HydrophobicContact CB-CE1 4.46Å; F238-F280 HydrophobicContact CB-CZ 3.92Å; F238-F280 AromaticContact CD1-CZ 3.99Å; F238-F280 HydrophobicContact CD1-CZ 3.99Å; F238-F280 HydrophobicContact CG-CZ 4.37Å; F238-A289 HydrophobicContact CD1-CB 3.92Å; F238-A289 HydrophobicContact CE1-CB 4.2Å; F238-V293 HydrophobicContact CE1-CG2 4.13Å; F238-V293 HydrophobicContact CZ-CG1 4.38Å; F238-V293 HydrophobicContact CZ-CG2 4.45Å |
| 239 | G | 86.9 | Confident | 86.6 | Confident | 43 Ų | 43 | 53.8 Ų | 53.8 | 44% | 0.443 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -16.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | L235 Y241 | L235-G239 VanDerWaalsContact O-CA 3.3Å; L235-G239 WeakPolarHBondContact O-CA 3.3Å; L235-G239 PolarHBondContact O-N 2.61Å; G239-Y241 VanDerWaalsContact C-N 3.27Å; G239-Y241 PolarHBondContact O-N 3.09Å |
| 240 | T | 89.3 | Confident | 86.6 | Confident | 98 Ų | 98 | 52.7 Ų | 52.7 | 60% | 0.601 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -19.6 | 171.8 | 64 | 0 | 0 | 0 | 0 | 113.5 | A237 F238 | A237-T240 PolarHBondContact O-OG1 2.96Å; F238-T240 PolarHBondContact O-N 3.23Å |
| 241 | Y | 88.3 | Confident | 86.5 | Confident | 62 Ų | 62 | 55 Ų | 55 | 24% | 0.243 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -22.1 | -178.1 | -54.8 | -69.8 | 0 | 0 | 0 | 113.4 | A237 F238 G239 K288 A289 A292 V293 | A237-Y241 WeakPolarHBondContact O-CE2 3.48Å; F238-Y241 HydrophobicContact CD1-CD2 4.31Å; F238-Y241 PolarHBondContact O-N 3.02Å; G239-Y241 VanDerWaalsContact C-N 3.27Å; G239-Y241 PolarHBondContact O-N 3.09Å; Y241-K288 HydrophobicContact CD1-CG 4.22Å; Y241-A289 HydrophobicContact CD2-CB 3.72Å; Y241-A289 HydrophobicContact CG-CB 3.8Å; Y241-A292 HydrophobicContact CD1-CB 4.17Å; Y241-A292 HydrophobicContact CE1-CB 3.34Å; Y241-V293 HydrophobicContact CE2-CG2 3.9Å |
| 242 | G | 89.1 | Confident | 86.1 | Confident | 21 Ų | 21 | 53.7 Ų | 53.7 | 22% | 0.216 | 31% | 0.305 | C | S | . | . | S | Bend | trans | 163.7 | -179.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | I244 | G242-I244 PolarHBondContact O-N 2.78Š|
| 243 | A | 90.1 | Very high | 85.1 | Confident | 51 Ų | 51 | 50.7 Ų | 50.7 | 42% | 0.421 | 31% | 0.314 | S | S | . | . | trans | -66.2 | 130.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F280 E281 | A243-F280 WeakPolarHBondContact O-CA 3.18Å; A243-F280 WeakPolarHBondContact O-CD1 3.32Å; A243-E281 HydrophobicContact CB-CB 4.09Å; A243-E281 PolarHBondContact O-N 3.42Å | ||
| 244 | I | 91.8 | Very high | 84.4 | Confident | 44 Ų | 44 | 57 Ų | 57 | 23% | 0.226 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 120 | -178.9 | -58.4 | 170.5 | 0 | 0 | 0 | 109.1 | L235 F238 G242 V247 V278 E279 F280 | L235-I244 HydrophobicContact CG-CD1 4.32Å; F238-I244 HydrophobicContact CB-CD1 3.88Å; G242-I244 PolarHBondContact O-N 2.78Å; I244-V247 HydrophobicContact CG2-CG2 3.6Å; I244-V278 HydrophobicContact CD1-CG1 4.29Å; I244-V278 HydrophobicContact CG1-CG1 4.23Å; I244-V278 HydrophobicContact CG2-CG1 3.91Å; I244-E279 CarbonylContact C-O 3.59Å; I244-E279 WeakPolarHBondContact CG2-O 3.49Å; I244-F280 HydrophobicContact CG1-CD1 4.26Å; I244-F280 HydrophobicContact CG1-CE1 4.03Å |
| 245 | A | 89.7 | Confident | 83.1 | Confident | 67 Ų | 67 | 63.6 Ų | 63.6 | 55% | 0.554 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.2 | -38.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | E279 | A245-E279 WeakPolarHBondContact CA-O 3.2Å; A245-E279 HydrophobicContact CB-CG 4.46Å; A245-E279 PolarHBondContact N-O 2.78Å |
| 246 | S | 86.1 | Confident | 82.2 | Confident | 33 Ų | 33 | 60.8 Ų | 60.8 | 23% | 0.231 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 149.2 | 173.4 | 88.9 | 0 | 0 | 0 | 0 | 113.7 | R248 E279 | S246-R248 PolarHBondContact OG-NE 2.96Å; S246-E279 PolarHBondContact N-O 3Å; S246-E279 PolarHBondContact O-N 3.06Å; S246-E279 WeakPolarHBondContact OG-CB 3.5Å; S246-E279 PolarHBondContact OG-OE2 3.25Å |
| 247 | V | 88.3 | Confident | 81.2 | Confident | 34 Ų | 34 | 56.5 Ų | 56.5 | 21% | 0.206 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 128.4 | 170.8 | -177.4 | 0 | 0 | 0 | 0 | 109.1 | L234 L235 I244 I277 V278 | L234-V247 HydrophobicContact CB-CG1 4.33Å; L234-V247 HydrophobicContact CD1-CG1 3.58Å; L235-V247 HydrophobicContact CD1-CG2 3.83Å; I244-V247 HydrophobicContact CG2-CG2 3.6Å; V247-I277 WeakPolarHBondContact CA-O 3.3Å; V247-V278 HydrophobicContact CG1-CG2 4.49Å; V247-V278 HydrophobicContact CG2-CG2 4.49Å |
| 248 | R | 85.3 | Confident | 80 | Confident | 83 Ų | 83 | 59.1 Ų | 59.1 | 31% | 0.313 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 117.8 | -176.6 | -72.3 | 178.4 | -87.2 | -169.7 | -5.2 | 110.4 | S246 L250 A276 I277 E279 | S246-R248 PolarHBondContact OG-NE 2.96Å; R248-L250 HydrophobicContact CB-CD1 4.25Å; R248-L250 WeakPolarHBondContact O-CD1 3.49Å; R248-A276 CarbonylContact O-C 3.46Å; R248-A276 WeakPolarHBondContact O-CA 3.36Å; R248-I277 HydrophobicContact CB-CB 4.47Å; R248-I277 PolarHBondContact N-O 2.91Å; R248-I277 PolarHBondContact O-N 2.9Å; R248-E279 IonicContact CZ-OE2 2.65Å; R248-E279 IonicContact NH2-OE2 3.86Å; R248-E279 PolarHBondContact NH2-OE2 2.81Å |
| 249 | V | 84.6 | Confident | 78.8 | Confident | 37 Ų | 37 | 63 Ų | 63 | 22% | 0.224 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 122.6 | 177.7 | -173.6 | 0 | 0 | 0 | 0 | 109.7 | Q227 L230 | Q227-V249 HydrophobicContact CG-CB 4.12Å; Q227-V249 HydrophobicContact CG-CG1 4.34Å; Q227-V249 HydrophobicContact CG-CG2 4.12Å; L230-V249 HydrophobicContact CD2-CG1 4.21Å; L230-V249 HydrophobicContact CD2-CG2 3.65Å |
| 250 | L | 79.9 | Confident | 77.9 | Confident | 20 Ų | 20 | 61 Ų | 61 | 11% | 0.105 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 113.2 | -179.1 | -75.5 | 70.3 | 0 | 0 | 0 | 109.5 | R248 L256 L260 L270 C275 I277 | R248-L250 HydrophobicContact CB-CD1 4.25Å; R248-L250 WeakPolarHBondContact O-CD1 3.49Å; L250-L256 HydrophobicContact CD2-CD2 3.45Å; L250-L256 VanDerWaalsContact CD2-CD2 3.45Å; L250-L260 HydrophobicContact CD1-CD1 4.17Å; L250-L260 HydrophobicContact CD2-CD1 3.77Å; L250-L260 HydrophobicContact CG-CD1 4.45Å; L250-L270 HydrophobicContact CD2-CD2 4.01Å; L250-C275 WeakPolarHBondContact CA-O 3.46Å; L250-C275 HydrophobicContact CB-CB 4.5Å; L250-C275 WeakPolarHBondContact CB-O 3.4Å; L250-C275 PolarHBondContact N-O 3.24Å; L250-C275 PolarHBondContact O-N 3.33Å; L250-C275 VanDerWaalsContact O-N 3.09Å; L250-I277 HydrophobicContact CD1-CD1 4.22Å; L250-I277 HydrophobicContact CD1-CG1 4.27Å; L250-I277 HydrophobicContact CD2-CD1 4.46Å |
| 251 | K | 78.1 | Confident | 76.8 | Confident | 59 Ų | 59 | 62.1 Ų | 62.1 | 26% | 0.257 | 37% | 0.367 | S | S | . | . | trans | -81.6 | 144.7 | 171.9 | -58.9 | -166.3 | 179.9 | -167.6 | 0 | 110.2 | G223 K254 | G223-K251 PolarHBondContact O-NZ 3.17Å; K251-K254 HydrophobicContact CB-CD 4.35Å; K251-K254 PolarHBondContact O-N 2.7Å | ||
| 252 | P | 75.1 | Confident | 75.6 | Confident | 59 Ų | 59 | 67.4 Ų | 67.4 | 38% | 0.383 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 148.9 | 179.7 | 25.7 | -36.6 | 0 | 0 | 0 | 111.2 | K254 E274 | P252-K254 PolarHBondContact O-N 3.37Å; P252-E274 HydrophobicContact CG-CG 4.05Å |
| 253 | G | 64.3 | Low | 74.6 | Confident | 76 Ų | 76 | 67 Ų | 67 | 78% | 0.784 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.2 | -1.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | G271 | G253-G271 PolarHBondContact N-O 3.33Š|
| 254 | K | 68.3 | Low | 73.3 | Confident | 145 Ų | 145 | 66.6 Ų | 66.6 | 63% | 0.63 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -86.1 | 145.4 | 172.9 | -68.1 | -163.7 | 175.3 | -168.3 | 0 | 112 | K251 P252 L256 | K251-K254 HydrophobicContact CB-CD 4.35Å; K251-K254 PolarHBondContact O-N 2.7Å; P252-K254 PolarHBondContact O-N 3.37Å; K254-L256 PolarHBondContact O-N 3.49Å |
| 255 | D | 59.3 | Low | 71.9 | Confident | 139 Ų | 139 | 68.3 Ų | 68.3 | 74% | 0.743 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 129.7 | 176.6 | -107.7 | -59.6 | 0 | 0 | 0 | 111.6 | K261 | D255-K261 IonicContact OD1-NZ 2.73Å; D255-K261 PolarHBondContact OD1-NZ 3.21Å |
| 256 | L | 69 | Low | 70.6 | Confident | 29 Ų | 29 | 70.7 Ų | 70.7 | 15% | 0.152 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -79 | 135.1 | -178.6 | -63.8 | 173 | 0 | 0 | 0 | 111 | L250 K254 L260 K261 L270 | L250-L256 HydrophobicContact CD2-CD2 3.45Å; L250-L256 VanDerWaalsContact CD2-CD2 3.45Å; K254-L256 PolarHBondContact O-N 3.49Å; L256-L260 HydrophobicContact CB-CB 4.29Å; L256-K261 HydrophobicContact CB-CB 4.34Å; L256-L270 HydrophobicContact CD1-CB 4.24Å |
| 257 | P | 68.1 | Low | 69.8 | Low | 65 Ų | 65 | 70.3 Ų | 70.3 | 42% | 0.422 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -47.8 | 148.9 | 167.3 | -28.2 | 33.4 | 0 | 0 | 0 | 112.5 | D259 L260 K261 | P257-D259 PolarHBondContact O-N 3.12Å; P257-L260 HydrophobicContact CB-CD1 4.44Å; P257-L260 HydrophobicContact CB-CG 4.38Å; P257-L260 HydrophobicContact CG-CD1 4.11Å; P257-L260 CarbonylContact O-C 3.58Å; P257-L260 WeakPolarHBondContact O-CA 3.47Å; P257-L260 PolarHBondContact O-N 2.92Å; P257-K261 PolarHBondContact O-N 3.34Å |
| 258 | A | 59.8 | Low | 68.5 | Low | 75 Ų | 75 | 72.3 Ų | 72.3 | 62% | 0.62 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -52.1 | -38.3 | -172 | 0 | 0 | 0 | 0 | 0 | 113.9 | K261 R262 | A258-K261 PolarHBondContact O-N 3.14Å; A258-R262 PolarHBondContact O-N 3.22Å |
| 259 | D | 64.3 | Low | 67.5 | Low | 82 Ų | 82 | 69.9 Ų | 69.9 | 44% | 0.439 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -68.7 | -35.8 | 177.5 | -60 | -62.1 | 0 | 0 | 0 | 113.4 | P257 R262 | P257-D259 PolarHBondContact O-N 3.12Å; D259-R262 IonicContact OD1-CZ 3.17Å; D259-R262 VanDerWaalsContact OD1-CZ 3.22Å; D259-R262 IonicContact OD1-NH1 2.89Å; D259-R262 PolarHBondContact OD1-NH1 2.97Å; D259-R262 IonicContact OD1-NH2 2.92Å; D259-R262 PolarHBondContact OD1-NH2 3.49Å |
| 260 | L | 68.1 | Low | 66.3 | Low | 1 Ų | 1 | 68.5 Ų | 68.5 | 1% | 0.005 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -81.7 | -25.5 | 178.3 | -53.6 | -176 | 0 | 0 | 0 | 111.9 | M198 L250 L256 P257 R262 L263 S264 I277 | M198-L260 HydrophobicContact CE-CD2 4.09Å; L250-L260 HydrophobicContact CD1-CD1 4.17Å; L250-L260 HydrophobicContact CD2-CD1 3.77Å; L250-L260 HydrophobicContact CG-CD1 4.45Å; L256-L260 HydrophobicContact CB-CB 4.29Å; P257-L260 HydrophobicContact CB-CD1 4.44Å; P257-L260 HydrophobicContact CB-CG 4.38Å; P257-L260 HydrophobicContact CG-CD1 4.11Å; P257-L260 CarbonylContact O-C 3.58Å; P257-L260 WeakPolarHBondContact O-CA 3.47Å; P257-L260 PolarHBondContact O-N 2.92Å; L260-R262 PolarHBondContact O-N 3.31Å; L260-L263 HydrophobicContact CD2-CD1 3.84Å; L260-L263 CarbonylContact O-C 3.51Å; L260-L263 WeakPolarHBondContact O-CA 3.25Å; L260-L263 WeakPolarHBondContact O-CB 3.33Å; L260-L263 PolarHBondContact O-N 2.99Å; L260-S264 PolarHBondContact O-N 2.98Å; L260-I277 HydrophobicContact CD1-CD1 3.51Å; L260-I277 HydrophobicContact CD2-CD1 3.43Å; L260-I277 VanDerWaalsContact CD2-CD1 3.43Å; L260-I277 HydrophobicContact CG-CD1 4.12Å |
| 261 | K | 66 | Low | 65.2 | Low | 123 Ų | 123 | 68.4 Ų | 68.4 | 54% | 0.535 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.4 | -24.3 | 172.5 | -159.6 | 161.9 | -171.3 | 152.3 | 0 | 112.6 | D255 L256 P257 A258 L263 S264 | D255-K261 IonicContact OD1-NZ 2.73Å; D255-K261 PolarHBondContact OD1-NZ 3.21Å; L256-K261 HydrophobicContact CB-CB 4.34Å; P257-K261 PolarHBondContact O-N 3.34Å; A258-K261 PolarHBondContact O-N 3.14Å; K261-L263 VanDerWaalsContact C-N 3.3Å; K261-S264 PolarHBondContact O-OG 2.87Å |
| 262 | R | 63.3 | Low | 64.6 | Low | 172 Ų | 172 | 71.6 Ų | 71.6 | 65% | 0.649 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -19.9 | 166.1 | -59.6 | -172 | -56.5 | -106.6 | -5.4 | 113.1 | A258 D259 L260 | A258-R262 PolarHBondContact O-N 3.22Å; D259-R262 IonicContact OD1-CZ 3.17Å; D259-R262 VanDerWaalsContact OD1-CZ 3.22Å; D259-R262 IonicContact OD1-NH1 2.89Å; D259-R262 PolarHBondContact OD1-NH1 2.97Å; D259-R262 IonicContact OD1-NH2 2.92Å; D259-R262 PolarHBondContact OD1-NH2 3.49Å; L260-R262 PolarHBondContact O-N 3.31Å |
| 263 | L | 66.1 | Low | 64.4 | Low | 13 Ų | 13 | 72.4 Ų | 72.4 | 7% | 0.068 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -22.9 | -175.5 | -59.3 | 179.3 | 0 | 0 | 0 | 113.5 | L260 K261 G265 R266 Y267 L270 I310 | L260-L263 HydrophobicContact CD2-CD1 3.84Å; L260-L263 CarbonylContact O-C 3.51Å; L260-L263 WeakPolarHBondContact O-CA 3.25Å; L260-L263 WeakPolarHBondContact O-CB 3.33Å; L260-L263 PolarHBondContact O-N 2.99Å; K261-L263 VanDerWaalsContact C-N 3.3Å; L263-G265 PolarHBondContact O-N 3.19Å; L263-R266 CarbonylContact O-C 3.53Å; L263-R266 WeakPolarHBondContact O-CA 3.48Å; L263-R266 WeakPolarHBondContact O-CB 3.36Å; L263-R266 PolarHBondContact O-N 2.67Å; L263-Y267 HydrophobicContact CB-CD2 4.16Å; L263-Y267 HydrophobicContact CB-CE2 4.43Å; L263-Y267 HydrophobicContact CD2-CE2 4.41Å; L263-Y267 PolarHBondContact O-N 3.34Å; L263-L270 HydrophobicContact CB-CD1 3.66Å; L263-I310 HydrophobicContact CD1-CD1 4.48Å; L263-I310 HydrophobicContact CD1-CG2 3.57Å; L263-I310 HydrophobicContact CD2-CG2 4.29Å |
| 264 | S | 64.3 | Low | 65 | Low | 43 Ų | 43 | 71.1 Ų | 71.1 | 30% | 0.301 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -34.8 | 177.2 | 59.8 | 0 | 0 | 0 | 0 | 113.4 | L260 K261 R266 Y267 | L260-S264 PolarHBondContact O-N 2.98Å; K261-S264 PolarHBondContact O-OG 2.87Å; S264-R266 PolarHBondContact O-N 3.22Å; S264-Y267 CarbonylContact O-C 3.54Å |
| 265 | G | 61.3 | Low | 65.6 | Low | 79 Ų | 79 | 64.2 Ų | 64.2 | 81% | 0.814 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -11.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | L263 | L263-G265 PolarHBondContact O-N 3.19Š|
| 266 | R | 63.9 | Low | 66.9 | Low | 117 Ų | 117 | 57.6 Ų | 57.6 | 44% | 0.442 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | -32.2 | 176.3 | -59 | -159.5 | -69.7 | -167.6 | 3 | 112.9 | L263 S264 | L263-R266 CarbonylContact O-C 3.53Å; L263-R266 WeakPolarHBondContact O-CA 3.48Å; L263-R266 WeakPolarHBondContact O-CB 3.36Å; L263-R266 PolarHBondContact O-N 2.67Å; S264-R266 PolarHBondContact O-N 3.22Å |
| 267 | Y | 68.8 | Low | 67.8 | Low | 26 Ų | 26 | 56.2 Ų | 56.2 | 10% | 0.102 | 32% | 0.317 | C | S | . | . | trans | -124.8 | 96.1 | 176.9 | -47.8 | -84.3 | 0 | 0 | 0 | 109 | L200 L263 S264 Q269 L270 V308 L309 | L200-Y267 HydrophobicContact CD2-CD1 4.2Å; L200-Y267 HydrophobicContact CD2-CD2 4.46Å; L200-Y267 HydrophobicContact CD2-CG 3.96Å; L263-Y267 HydrophobicContact CB-CD2 4.16Å; L263-Y267 HydrophobicContact CB-CE2 4.43Å; L263-Y267 HydrophobicContact CD2-CE2 4.41Å; L263-Y267 PolarHBondContact O-N 3.34Å; S264-Y267 CarbonylContact O-C 3.54Å; Y267-Q269 PolarHBondContact O-N 3.11Å; Y267-L270 HydrophobicContact CD2-CD1 3.98Å; Y267-L270 HydrophobicContact CG-CD1 4.43Å; Y267-L270 WeakPolarHBondContact O-CB 3.36Å; Y267-L270 PolarHBondContact O-N 3.01Å; Y267-V308 HydrophobicContact CD1-CG1 4.29Å; Y267-V308 HydrophobicContact CE1-CG1 3.65Å; Y267-L309 PolarHBondContact OH-O 3.43Å | ||
| 268 | A | 61.5 | Low | 68.8 | Low | 75 Ų | 75 | 53.1 Ų | 53.1 | 62% | 0.62 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -7.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | N272 | A268-N272 PolarHBondContact O-ND2 2.8Š|
| 269 | Q | 62.5 | Low | 70.2 | Confident | 33 Ų | 33 | 52.2 Ų | 52.2 | 15% | 0.154 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -29 | 172.6 | -59.1 | -175 | -98.8 | 0 | 0 | 111.6 | Y267 G271 N272 E273 | Y267-Q269 PolarHBondContact O-N 3.11Å; Q269-G271 PolarHBondContact O-N 3.27Å; Q269-N272 PolarHBondContact O-N 2.99Å; Q269-E273 WeakPolarHBondContact CB-OE2 3.35Å; Q269-E273 VanDerWaalsContact CG-OE2 3.28Å; Q269-E273 WeakPolarHBondContact CG-OE2 3.49Å; Q269-E273 PolarHBondContact NE2-OE2 3.05Å; Q269-E273 PolarHBondContact O-N 2.81Å |
| 270 | L | 60.4 | Low | 71.5 | Confident | 7 Ų | 7 | 48.4 Ų | 48.4 | 4% | 0.037 | 26% | 0.259 | C | S | . | . | B | Isolated β-bridge | trans | -65.8 | 103.1 | 176.6 | -73 | 172.2 | 0 | 0 | 0 | 111.1 | L200 L250 L256 L263 Y267 I277 | L200-L270 HydrophobicContact CD1-CD2 3.56Å; L200-L270 HydrophobicContact CD1-CG 4.35Å; L200-L270 HydrophobicContact CD2-CD2 4.19Å; L200-L270 HydrophobicContact CD2-CG 4.07Å; L250-L270 HydrophobicContact CD2-CD2 4.01Å; L256-L270 HydrophobicContact CD1-CB 4.24Å; L263-L270 HydrophobicContact CB-CD1 3.66Å; Y267-L270 HydrophobicContact CD2-CD1 3.98Å; Y267-L270 HydrophobicContact CG-CD1 4.43Å; Y267-L270 WeakPolarHBondContact O-CB 3.36Å; Y267-L270 PolarHBondContact O-N 3.01Å; L270-I277 HydrophobicContact CD2-CD1 4.42Å |
| 271 | G | 56.3 | Low | 72.5 | Confident | 18 Ų | 18 | 54.1 Ų | 54.1 | 19% | 0.186 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 109.7 | -20.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | G253 Q269 | G253-G271 PolarHBondContact N-O 3.33Å; Q269-G271 PolarHBondContact O-N 3.27Å |
| 272 | N | 65.3 | Low | 73.6 | Confident | 127 Ų | 127 | 53.7 Ų | 53.7 | 68% | 0.679 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -30.2 | 175.4 | -66.5 | -46.6 | 0 | 0 | 0 | 112.6 | A268 Q269 | A268-N272 PolarHBondContact O-ND2 2.8Å; Q269-N272 PolarHBondContact O-N 2.99Å |
| 273 | E | 70.7 | Confident | 74.7 | Confident | 76 Ų | 76 | 47 Ų | 47 | 36% | 0.355 | 26% | 0.264 | S | S | . | . | B | Isolated β-bridge | trans | -120.9 | 154.6 | -175.7 | -66.4 | 168.7 | 179.6 | 0 | 0 | 110.6 | Q269 C275 | Q269-E273 WeakPolarHBondContact CB-OE2 3.35Å; Q269-E273 VanDerWaalsContact CG-OE2 3.28Å; Q269-E273 WeakPolarHBondContact CG-OE2 3.49Å; Q269-E273 PolarHBondContact NE2-OE2 3.05Å; Q269-E273 PolarHBondContact O-N 2.81Å; E273-C275 PolarHBondContact O-N 3.17Å; E273-C275 VanDerWaalsContact O-N 3.14Å; E273-C275 PolarHBondContact O-SG 3.44Å; E273-C275 VanDerWaalsContact O-SG 3.38Å |
| 274 | E | 77.1 | Confident | 75.6 | Confident | 48 Ų | 48 | 54 Ų | 54 | 22% | 0.224 | 30% | 0.296 | C | S | . | . | trans | -64.7 | 112.4 | 169.9 | -76 | -177.1 | 164.7 | 0 | 0 | 109.8 | L204 Q205 P252 | L204-E274 HydrophobicContact CD1-CB 4.4Å; Q205-E274 VanDerWaalsContact CG-OE2 3.26Å; Q205-E274 WeakPolarHBondContact CG-OE2 3.37Å; Q205-E274 PolarHBondContact NE2-OE2 2.96Å; P252-E274 HydrophobicContact CG-CG 4.05Å | ||
| 275 | C | 82.5 | Confident | 76.8 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.007 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 148 | -177.4 | -63.8 | 0 | 0 | 0 | 0 | 110.4 | L200 L201 S202 L250 E273 | L200-C275 HydrophobicContact CD1-CB 3.87Å; L201-C275 CarbonylContact O-C 3.57Å; L201-C275 WeakPolarHBondContact O-CA 3.2Å; L201-C275 WeakPolarHBondContact O-CB 3.38Å; S202-C275 PolarHBondContact OG-SG 2.92Å; L250-C275 WeakPolarHBondContact CA-O 3.46Å; L250-C275 HydrophobicContact CB-CB 4.5Å; L250-C275 WeakPolarHBondContact CB-O 3.4Å; L250-C275 PolarHBondContact N-O 3.24Å; L250-C275 PolarHBondContact O-N 3.33Å; L250-C275 VanDerWaalsContact O-N 3.09Å; E273-C275 PolarHBondContact O-N 3.17Å; E273-C275 VanDerWaalsContact O-N 3.14Å; E273-C275 PolarHBondContact O-SG 3.44Å; E273-C275 VanDerWaalsContact O-SG 3.38Å |
| 276 | A | 85.9 | Confident | 78.1 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 153.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | L201 L204 L230 L234 R248 | L201-A276 HydrophobicContact CB-CB 4.26Å; L201-A276 HydrophobicContact CD1-CB 4.26Å; L201-A276 PolarHBondContact N-O 3.12Å; L201-A276 PolarHBondContact O-N 2.82Å; L204-A276 HydrophobicContact CD1-CB 3.89Å; L204-A276 HydrophobicContact CD2-CB 4.08Å; L230-A276 HydrophobicContact CD2-CB 4.45Å; L234-A276 HydrophobicContact CD1-CB 3.63Å; R248-A276 CarbonylContact O-C 3.46Å; R248-A276 WeakPolarHBondContact O-CA 3.36Å |
| 277 | I | 86.8 | Confident | 79.1 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 122.7 | 174.2 | -63.5 | -179.2 | 0 | 0 | 0 | 107.9 | M198 L199 L200 V247 R248 L250 L260 L270 I310 | M198-I277 HydrophobicContact CB-CG2 4.36Å; M198-I277 HydrophobicContact CE-CG2 3.65Å; L199-I277 VanDerWaalsContact O-CA 3.25Å; L199-I277 WeakPolarHBondContact O-CA 3.29Å; L200-I277 HydrophobicContact CD1-CG1 4.02Å; V247-I277 WeakPolarHBondContact CA-O 3.3Å; R248-I277 HydrophobicContact CB-CB 4.47Å; R248-I277 PolarHBondContact N-O 2.91Å; R248-I277 PolarHBondContact O-N 2.9Å; L250-I277 HydrophobicContact CD1-CD1 4.22Å; L250-I277 HydrophobicContact CD1-CG1 4.27Å; L250-I277 HydrophobicContact CD2-CD1 4.46Å; L260-I277 HydrophobicContact CD1-CD1 3.51Å; L260-I277 HydrophobicContact CD2-CD1 3.43Å; L260-I277 VanDerWaalsContact CD2-CD1 3.43Å; L260-I277 HydrophobicContact CG-CD1 4.12Å; L270-I277 HydrophobicContact CD2-CD1 4.42Å; I277-I310 HydrophobicContact CD1-CD1 4.13Å; I277-I310 HydrophobicContact CG1-CD1 4.33Å; I277-I310 HydrophobicContact CG2-CD1 4.2Å |
| 278 | V | 89.4 | Confident | 79.9 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 121.8 | 175.2 | 179.9 | 0 | 0 | 0 | 0 | 107.3 | M198 L199 L201 L234 F238 I244 V247 F280 | M198-V278 CarbonylContact C-O 3.57Å; M198-V278 WeakPolarHBondContact CA-O 3.36Å; L199-V278 PolarHBondContact N-O 2.98Å; L199-V278 PolarHBondContact O-N 3.45Å; L201-V278 HydrophobicContact CD1-CG2 3.71Å; L234-V278 HydrophobicContact CD1-CG2 4.3Å; L234-V278 HydrophobicContact CD2-CG2 4.29Å; F238-V278 HydrophobicContact CB-CG1 4.2Å; F238-V278 HydrophobicContact CD2-CG2 4.23Å; F238-V278 HydrophobicContact CG-CG1 4.41Å; F238-V278 HydrophobicContact CG-CG2 4.49Å; I244-V278 HydrophobicContact CD1-CG1 4.29Å; I244-V278 HydrophobicContact CG1-CG1 4.23Å; I244-V278 HydrophobicContact CG2-CG1 3.91Å; V247-V278 HydrophobicContact CG1-CG2 4.49Å; V247-V278 HydrophobicContact CG2-CG2 4.49Å; V278-F280 HydrophobicContact CB-CE2 4.47Å; V278-F280 HydrophobicContact CG1-CD2 4.26Å; V278-F280 HydrophobicContact CG1-CE2 3.74Å; V278-F280 HydrophobicContact CG1-CZ 4.01Å |
| 279 | E | 89.5 | Confident | 81.2 | Confident | 56 Ų | 56 | 45.2 Ų | 45.2 | 26% | 0.262 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 121.8 | 177.9 | -176.9 | 172 | -157.5 | 0 | 0 | 108.6 | R197 M198 I244 A245 S246 R248 | R197-E279 CarbonylContact O-C 3.53Å; R197-E279 WeakPolarHBondContact O-CA 3.29Å; M198-E279 HydrophobicContact CG-CB 4.16Å; M198-E279 HydrophobicContact CG-CG 3.9Å; I244-E279 CarbonylContact C-O 3.59Å; I244-E279 WeakPolarHBondContact CG2-O 3.49Å; A245-E279 WeakPolarHBondContact CA-O 3.2Å; A245-E279 HydrophobicContact CB-CG 4.46Å; A245-E279 PolarHBondContact N-O 2.78Å; S246-E279 PolarHBondContact N-O 3Å; S246-E279 PolarHBondContact O-N 3.06Å; S246-E279 WeakPolarHBondContact OG-CB 3.5Å; S246-E279 PolarHBondContact OG-OE2 3.25Å; R248-E279 IonicContact CZ-OE2 2.65Å; R248-E279 IonicContact NH2-OE2 3.86Å; R248-E279 PolarHBondContact NH2-OE2 2.81Å |
| 280 | F | 90.9 | Very high | 82.3 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 0% | 0.004 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 160.6 | 178.1 | -70.3 | -91.6 | 0 | 0 | 0 | 111.5 | R197 L199 F238 A243 I244 V278 E282 A285 A286 A289 | R197-F280 HydrophobicContact CB-CB 4.49Å; R197-F280 VanDerWaalsContact CB-O 3.26Å; R197-F280 WeakPolarHBondContact CB-O 3.13Å; R197-F280 WeakPolarHBondContact CD-O 3.34Å; R197-F280 PolarHBondContact O-N 2.92Å; L199-F280 HydrophobicContact CD1-CE2 3.76Å; L199-F280 HydrophobicContact CG-CE2 4.03Å; F238-F280 HydrophobicContact CB-CE1 4.46Å; F238-F280 HydrophobicContact CB-CZ 3.92Å; F238-F280 AromaticContact CD1-CZ 3.99Å; F238-F280 HydrophobicContact CD1-CZ 3.99Å; F238-F280 HydrophobicContact CG-CZ 4.37Å; A243-F280 WeakPolarHBondContact O-CA 3.18Å; A243-F280 WeakPolarHBondContact O-CD1 3.32Å; I244-F280 HydrophobicContact CG1-CD1 4.26Å; I244-F280 HydrophobicContact CG1-CE1 4.03Å; V278-F280 HydrophobicContact CB-CE2 4.47Å; V278-F280 HydrophobicContact CG1-CD2 4.26Å; V278-F280 HydrophobicContact CG1-CE2 3.74Å; V278-F280 HydrophobicContact CG1-CZ 4.01Å; F280-E282 VanDerWaalsContact CB-O 3.28Å; F280-E282 WeakPolarHBondContact CB-O 3.3Å; F280-A285 HydrophobicContact CB-CB 4.28Å; F280-A285 HydrophobicContact CD1-CB 3.68Å; F280-A285 HydrophobicContact CE1-CB 4.26Å; F280-A285 HydrophobicContact CG-CB 4.1Å; F280-A286 HydrophobicContact CB-CB 4.34Å; F280-A286 HydrophobicContact CD2-CB 3.68Å; F280-A286 HydrophobicContact CE2-CB 4.34Å; F280-A286 HydrophobicContact CG-CB 4.24Å; F280-A289 HydrophobicContact CE2-CB 4.18Å; F280-A289 HydrophobicContact CZ-CB 3.82Å |
| 281 | E | 90.9 | Very high | 83.4 | Confident | 121 Ų | 121 | 51.7 Ų | 51.7 | 57% | 0.565 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -72.7 | -37 | 167.3 | -173.7 | 166.9 | -167 | 0 | 0 | 111.2 | R197 A243 | R197-E281 VanDerWaalsContact CD-O 3.25Å; R197-E281 WeakPolarHBondContact CD-O 3.06Å; R197-E281 PolarHBondContact NE-O 3.09Å; R197-E281 VanDerWaalsContact NE-O 3.1Å; R197-E281 PolarHBondContact NH1-O 3.05Å; A243-E281 HydrophobicContact CB-CB 4.09Å; A243-E281 PolarHBondContact O-N 3.42Å |
| 282 | E | 87.5 | Confident | 84.6 | Confident | 115 Ų | 115 | 52.9 Ų | 52.9 | 54% | 0.537 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -106.1 | 149.8 | 179.4 | -66.1 | -172.9 | 153 | 0 | 0 | 113 | F280 A285 | F280-E282 VanDerWaalsContact CB-O 3.28Å; F280-E282 WeakPolarHBondContact CB-O 3.3Å; E282-A285 HydrophobicContact CB-CB 4.12Å |
| 283 | V | 87.1 | Confident | 85.2 | Confident | 32 Ų | 32 | 47 Ų | 47 | 19% | 0.194 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -73.8 | -37.3 | 174.5 | -178.1 | 0 | 0 | 0 | 0 | 111 | L194 P195 R197 A286 V287 | L194-V283 HydrophobicContact CD2-CG1 4Å; P195-V283 HydrophobicContact CB-CG1 3.68Å; P195-V283 HydrophobicContact CG-CG1 4.3Å; P195-V283 VanDerWaalsContact O-CG1 3.22Å; P195-V283 WeakPolarHBondContact O-CG1 3.24Å; R197-V283 HydrophobicContact CG-CB 4.49Å; R197-V283 HydrophobicContact CG-CG2 3.65Å; V283-A286 WeakPolarHBondContact O-CB 3.41Å; V283-A286 PolarHBondContact O-N 2.88Å; V283-V287 PolarHBondContact O-N 3.35Å; V283-V287 VanDerWaalsContact O-N 3.09Å |
| 284 | E | 85.5 | Confident | 85.2 | Confident | 158 Ų | 158 | 44 Ų | 44 | 74% | 0.738 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -65.3 | -42.6 | -177.9 | -58.3 | -172.1 | -177.1 | 0 | 0 | 111.5 | A286 V287 K288 | E284-A286 VanDerWaalsContact C-N 3.31Å; E284-A286 PolarHBondContact O-N 3.13Å; E284-V287 PolarHBondContact O-N 3.04Å; E284-K288 WeakPolarHBondContact O-CB 3.37Å; E284-K288 PolarHBondContact O-N 2.83Å |
| 285 | A | 88.8 | Confident | 84.3 | Confident | 3 Ų | 3 | 43.4 Ų | 43.4 | 3% | 0.025 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.4 | -43.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | F280 E282 A289 | F280-A285 HydrophobicContact CB-CB 4.28Å; F280-A285 HydrophobicContact CD1-CB 3.68Å; F280-A285 HydrophobicContact CE1-CB 4.26Å; F280-A285 HydrophobicContact CG-CB 4.1Å; E282-A285 HydrophobicContact CB-CB 4.12Å; A285-A289 VanDerWaalsContact O-CB 3.28Å; A285-A289 WeakPolarHBondContact O-CB 3.5Å; A285-A289 PolarHBondContact O-N 3.16Å |
| 286 | A | 87.7 | Confident | 82.9 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.7 | -41.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L199 F280 V283 E284 N290 L309 | L199-A286 HydrophobicContact CD2-CB 4.35Å; L199-A286 WeakPolarHBondContact CD2-O 3.38Å; F280-A286 HydrophobicContact CB-CB 4.34Å; F280-A286 HydrophobicContact CD2-CB 3.68Å; F280-A286 HydrophobicContact CE2-CB 4.34Å; F280-A286 HydrophobicContact CG-CB 4.24Å; V283-A286 WeakPolarHBondContact O-CB 3.41Å; V283-A286 PolarHBondContact O-N 2.88Å; E284-A286 VanDerWaalsContact C-N 3.31Å; E284-A286 PolarHBondContact O-N 3.13Å; A286-N290 WeakPolarHBondContact O-CB 3.39Å; A286-N290 PolarHBondContact O-N 3.07Å; A286-L309 HydrophobicContact CB-CD1 4.43Å |
| 287 | V | 85.6 | Confident | 81.2 | Confident | 35 Ų | 35 | 59.9 Ų | 59.9 | 21% | 0.212 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64 | -50.1 | 175.6 | 176 | 0 | 0 | 0 | 0 | 110.8 | P195 V283 E284 A289 N290 E291 | P195-V287 HydrophobicContact CB-CG2 3.56Å; P195-V287 HydrophobicContact CG-CG2 3.46Å; P195-V287 VanDerWaalsContact CG-CG2 3.46Å; V283-V287 PolarHBondContact O-N 3.35Å; V283-V287 VanDerWaalsContact O-N 3.09Å; E284-V287 PolarHBondContact O-N 3.04Å; V287-A289 VanDerWaalsContact C-N 3.33Å; V287-A289 PolarHBondContact O-N 2.87Å; V287-N290 CarbonylContact O-C 3.55Å; V287-N290 WeakPolarHBondContact O-CA 3.36Å; V287-N290 WeakPolarHBondContact O-CB 3.45Å; V287-N290 PolarHBondContact O-N 3.44Å; V287-E291 HydrophobicContact CG1-CG 4.39Å; V287-E291 WeakPolarHBondContact CG1-OE1 3.41Å; V287-E291 WeakPolarHBondContact O-CG 3.24Å; V287-E291 PolarHBondContact O-N 3.46Å |
| 288 | K | 87 | Confident | 79.6 | Confident | 119 Ų | 119 | 62.4 Ų | 62.4 | 52% | 0.517 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -57.5 | -43.1 | 178.8 | -174.8 | -176.2 | 179.9 | -174.1 | 0 | 112.3 | Y241 E284 E291 A292 | Y241-K288 HydrophobicContact CD1-CG 4.22Å; E284-K288 WeakPolarHBondContact O-CB 3.37Å; E284-K288 PolarHBondContact O-N 2.83Å; K288-E291 PolarHBondContact O-N 3.23Å; K288-A292 VanDerWaalsContact O-CB 3.31Å; K288-A292 WeakPolarHBondContact O-CB 3.4Å; K288-A292 PolarHBondContact O-N 3.08Å |
| 289 | A | 87.9 | Confident | 77.8 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -67 | -38 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L199 F238 Y241 F280 A285 V287 V293 | L199-A289 HydrophobicContact CD1-CB 3.69Å; F238-A289 HydrophobicContact CD1-CB 3.92Å; F238-A289 HydrophobicContact CE1-CB 4.2Å; Y241-A289 HydrophobicContact CD2-CB 3.72Å; Y241-A289 HydrophobicContact CG-CB 3.8Å; F280-A289 HydrophobicContact CE2-CB 4.18Å; F280-A289 HydrophobicContact CZ-CB 3.82Å; A285-A289 VanDerWaalsContact O-CB 3.28Å; A285-A289 WeakPolarHBondContact O-CB 3.5Å; A285-A289 PolarHBondContact O-N 3.16Å; V287-A289 VanDerWaalsContact C-N 3.33Å; V287-A289 PolarHBondContact O-N 2.87Å; A289-V293 WeakPolarHBondContact O-CB 3.2Å; A289-V293 WeakPolarHBondContact O-CG2 3.38Å; A289-V293 PolarHBondContact O-N 3.19Å |
| 290 | N | 85 | Confident | 76.2 | Confident | 38 Ų | 38 | 66.7 Ų | 66.7 | 20% | 0.203 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.5 | -37.1 | 172.9 | 167.4 | 93.9 | 0 | 0 | 0 | 112.2 | L199 A286 V287 G294 L309 | L199-N290 HydrophobicContact CD2-CB 3.9Å; A286-N290 WeakPolarHBondContact O-CB 3.39Å; A286-N290 PolarHBondContact O-N 3.07Å; V287-N290 CarbonylContact O-C 3.55Å; V287-N290 WeakPolarHBondContact O-CA 3.36Å; V287-N290 WeakPolarHBondContact O-CB 3.45Å; V287-N290 PolarHBondContact O-N 3.44Å; N290-G294 WeakPolarHBondContact O-CA 3.22Å; N290-G294 PolarHBondContact O-N 3.23Å; N290-L309 HydrophobicContact CB-CB 4.36Å; N290-L309 PolarHBondContact OD1-N 2.93Å |
| 291 | E | 83.9 | Confident | 74.8 | Confident | 137 Ų | 137 | 67.1 Ų | 67.1 | 64% | 0.64 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -76.7 | -37.5 | 178.7 | -70.5 | 171.5 | 174.3 | 0 | 0 | 112.4 | V287 K288 | V287-E291 HydrophobicContact CG1-CG 4.39Å; V287-E291 WeakPolarHBondContact CG1-OE1 3.41Å; V287-E291 WeakPolarHBondContact O-CG 3.24Å; V287-E291 PolarHBondContact O-N 3.46Å; K288-E291 PolarHBondContact O-N 3.23Å |
| 292 | A | 81.3 | Confident | 73.3 | Confident | 44 Ų | 44 | 66.6 Ų | 66.6 | 36% | 0.364 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -73.8 | -31.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y241 K288 | Y241-A292 HydrophobicContact CD1-CB 4.17Å; Y241-A292 HydrophobicContact CE1-CB 3.34Å; K288-A292 VanDerWaalsContact O-CB 3.31Å; K288-A292 WeakPolarHBondContact O-CB 3.4Å; K288-A292 PolarHBondContact O-N 3.08Å |
| 293 | V | 78.1 | Confident | 72.1 | Confident | 2 Ų | 2 | 62.9 Ų | 62.9 | 1% | 0.012 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -112.6 | -25.4 | -174.4 | -166.4 | 0 | 0 | 0 | 0 | 113 | F238 Y241 A289 G301 L303 V307 | F238-V293 HydrophobicContact CE1-CG2 4.13Å; F238-V293 HydrophobicContact CZ-CG1 4.38Å; F238-V293 HydrophobicContact CZ-CG2 4.45Å; Y241-V293 HydrophobicContact CE2-CG2 3.9Å; A289-V293 WeakPolarHBondContact O-CB 3.2Å; A289-V293 WeakPolarHBondContact O-CG2 3.38Å; A289-V293 PolarHBondContact O-N 3.19Å; V293-G301 VanDerWaalsContact O-CA 3.3Å; V293-G301 WeakPolarHBondContact O-CA 3.18Å; V293-L303 HydrophobicContact CG1-CB 4.27Å; V293-L303 HydrophobicContact CG1-CD1 3.68Å; V293-L303 HydrophobicContact CG1-CG 4.12Å; V293-L303 HydrophobicContact CG2-CD1 4.25Å; V293-V307 HydrophobicContact CB-CG2 3.83Å; V293-V307 HydrophobicContact CG1-CG2 3.47Å; V293-V307 VanDerWaalsContact CG1-CG2 3.47Å |
| 294 | G | 69.8 | Low | 71 | Confident | 15 Ų | 15 | 62 Ų | 62 | 16% | 0.155 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -94.5 | 117.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | N290 | N290-G294 WeakPolarHBondContact O-CA 3.22Å; N290-G294 PolarHBondContact O-N 3.23Å |
| 295 | G | 59 | Low | 70.5 | Confident | 35 Ų | 35 | 54.6 Ų | 54.6 | 36% | 0.361 | 33% | 0.331 | S | S | . | . | trans | -66.6 | 145.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | D297 G298 | G295-D297 PolarHBondContact O-N 2.99Å; G295-G298 PolarHBondContact O-N 2.62Å; G295-G298 VanDerWaalsContact O-N 3.16Å | ||
| 296 | E | 52.5 | Low | 70 | Confident | 211 Ų | 211 | 57.4 Ų | 57.4 | 99% | 0.986 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -23.6 | -167.3 | -165.9 | 174.4 | 91.9 | 0 | 0 | 115.9 | ||
| 297 | D | 51.3 | Low | 69.7 | Low | 136 Ų | 136 | 58 Ų | 58 | 73% | 0.727 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.2 | 46.5 | 177.7 | -159.7 | 7.7 | 0 | 0 | 0 | 113.5 | G295 G299 | G295-D297 PolarHBondContact O-N 2.99Å; D297-G299 PolarHBondContact O-N 3.4Å; D297-G299 VanDerWaalsContact O-N 3.11Å |
| 298 | G | 53.9 | Low | 69.6 | Low | 52 Ų | 52 | 58.1 Ų | 58.1 | 54% | 0.536 | 35% | 0.347 | S | S | . | . | S | Bend | trans | 66.4 | 17.4 | 175 | 0 | 0 | 0 | 0 | 0 | 114.4 | G295 | G295-G298 PolarHBondContact O-N 2.62Å; G295-G298 VanDerWaalsContact O-N 3.16Å |
| 299 | G | 51 | Low | 69.4 | Low | 38 Ų | 38 | 53.4 Ų | 53.4 | 39% | 0.392 | 33% | 0.327 | S | S | . | . | trans | -71.5 | 150.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | D297 G301 | D297-G299 PolarHBondContact O-N 3.4Å; D297-G299 VanDerWaalsContact O-N 3.11Å; G299-G301 PolarHBondContact O-N 3.13Å | ||
| 300 | T | 54.9 | Low | 68.7 | Low | 109 Ų | 109 | 53.5 Ų | 53.5 | 67% | 0.669 | 33% | 0.328 | S | S | * | . | trans | -50.7 | 117.5 | 171.6 | -53.3 | 0 | 0 | 0 | 0 | 110.3 | G304 | T300-G304 VanDerWaalsContact CG2-CA 3.48Å; T300-G304 WeakPolarHBondContact CG2-O 3.36Å | ||
| 301 | G | 61.7 | Low | 67.6 | Low | 9 Ų | 9 | 52.8 Ų | 52.8 | 9% | 0.093 | 33% | 0.33 | C | S | . | . | trans | -69 | 176.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V293 G299 L303 G304 L305 | V293-G301 VanDerWaalsContact O-CA 3.3Å; V293-G301 WeakPolarHBondContact O-CA 3.18Å; G299-G301 PolarHBondContact O-N 3.13Å; G301-L303 PolarHBondContact O-N 3.01Å; G301-G304 PolarHBondContact O-N 3.01Å; G301-L305 PolarHBondContact N-O 3.26Å | ||
| 302 | P | 60 | Low | 66.4 | Low | 110 Ų | 110 | 48.3 Ų | 48.3 | 71% | 0.714 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -22.1 | 178.4 | 24.1 | -34.3 | 0 | 0 | 0 | 113.6 | ||
| 303 | L | 62.4 | Low | 64.7 | Low | 38 Ų | 38 | 53.7 Ų | 53.7 | 20% | 0.199 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 8.2 | 178.2 | -59 | -179.7 | 0 | 0 | 0 | 114.3 | W207 A237 V293 G301 L305 | W207-L303 HydrophobicContact CH2-CD1 3.91Å; W207-L303 HydrophobicContact CZ2-CB 4.35Å; W207-L303 HydrophobicContact CZ2-CD1 3.7Å; W207-L303 HydrophobicContact CZ2-CD2 4.31Å; W207-L303 HydrophobicContact CZ2-CG 4.34Å; A237-L303 HydrophobicContact CB-CD1 4.4Å; V293-L303 HydrophobicContact CG1-CB 4.27Å; V293-L303 HydrophobicContact CG1-CD1 3.68Å; V293-L303 HydrophobicContact CG1-CG 4.12Å; V293-L303 HydrophobicContact CG2-CD1 4.25Å; G301-L303 PolarHBondContact O-N 3.01Å; L303-L305 HydrophobicContact CB-CG 4.49Å; L303-L305 PolarHBondContact O-N 3.03Å; L303-L305 VanDerWaalsContact O-N 3.16Å |
| 304 | G | 64.1 | Low | 63.1 | Low | 14 Ų | 14 | 57.2 Ų | 57.2 | 14% | 0.144 | 35% | 0.35 | C | S | . | . | S | Bend | trans | 75.4 | -5.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | T300 G301 | T300-G304 VanDerWaalsContact CG2-CA 3.48Å; T300-G304 WeakPolarHBondContact CG2-O 3.36Å; G301-G304 PolarHBondContact O-N 3.01Å |
| 305 | L | 74.3 | Confident | 61.9 | Low | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.005 | 38% | 0.378 | C | S | . | . | trans | -88.5 | 157.7 | -177.5 | -69 | -168 | 0 | 0 | 0 | 113.7 | L201 L204 W207 G301 L303 V307 | L201-L305 HydrophobicContact CB-CD1 4.36Å; L201-L305 HydrophobicContact CD1-CD1 4.45Å; L201-L305 HydrophobicContact CD2-CD1 4.32Å; L204-L305 HydrophobicContact CD2-CD2 4.15Å; W207-L305 HydrophobicContact CB-CD2 4.23Å; W207-L305 HydrophobicContact CD2-CD1 4.31Å; W207-L305 HydrophobicContact CD2-CD2 4.48Å; W207-L305 HydrophobicContact CD2-CG 4.25Å; W207-L305 HydrophobicContact CE3-CD1 3.36Å; W207-L305 HydrophobicContact CE3-CD2 3.87Å; W207-L305 HydrophobicContact CE3-CG 3.68Å; W207-L305 HydrophobicContact CH2-CD1 4.22Å; W207-L305 HydrophobicContact CZ3-CD1 3.29Å; W207-L305 HydrophobicContact CZ3-CG 4.11Å; G301-L305 PolarHBondContact N-O 3.26Å; L303-L305 HydrophobicContact CB-CG 4.49Å; L303-L305 PolarHBondContact O-N 3.03Å; L303-L305 VanDerWaalsContact O-N 3.16Å; L305-V307 HydrophobicContact CB-CG2 4.33Å | ||
| 306 | K | 77.7 | Confident | 60.8 | Low | 63 Ų | 63 | 69.8 Ų | 69.8 | 27% | 0.274 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 106.3 | 162.5 | -172.6 | -174.7 | -174.6 | -175.1 | 0 | 109.8 | S202 V308 | S202-K306 PolarHBondContact N-O 3.01Å; S202-K306 PolarHBondContact O-N 3.4Å; S202-K306 VanDerWaalsContact O-N 3.17Å; K306-V308 HydrophobicContact CG-CG2 4.29Å |
| 307 | V | 82.9 | Confident | 60.2 | Low | 12 Ų | 12 | 68.4 Ų | 68.4 | 7% | 0.073 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 133.3 | 176.7 | -174 | 0 | 0 | 0 | 0 | 109.6 | L199 L200 L201 V293 L305 | L199-V307 HydrophobicContact CB-CG1 4.37Å; L199-V307 HydrophobicContact CD1-CG1 3.98Å; L199-V307 HydrophobicContact CD2-CG1 4.49Å; L200-V307 CarbonylContact O-C 3.53Å; L200-V307 WeakPolarHBondContact O-CA 3.5Å; L201-V307 HydrophobicContact CD2-CB 4.09Å; L201-V307 HydrophobicContact CD2-CG1 3.81Å; L201-V307 HydrophobicContact CD2-CG2 3.54Å; V293-V307 HydrophobicContact CB-CG2 3.83Å; V293-V307 HydrophobicContact CG1-CG2 3.47Å; V293-V307 VanDerWaalsContact CG1-CG2 3.47Å; L305-V307 HydrophobicContact CB-CG2 4.33Å |
| 308 | V | 82.1 | Confident | 59.8 | Low | 38 Ų | 38 | 71.1 Ų | 71.1 | 23% | 0.23 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 115.2 | 177.6 | -173.1 | 0 | 0 | 0 | 0 | 109.9 | L200 Y267 K306 I310 | L200-V308 HydrophobicContact CB-CB 4.4Å; L200-V308 WeakPolarHBondContact CB-O 3.23Å; L200-V308 PolarHBondContact N-O 3.49Å; L200-V308 PolarHBondContact O-N 2.95Å; Y267-V308 HydrophobicContact CD1-CG1 4.29Å; Y267-V308 HydrophobicContact CE1-CG1 3.65Å; K306-V308 HydrophobicContact CG-CG2 4.29Å; V308-I310 PolarHBondContact O-N 3.41Å |
| 309 | L | 82.7 | Confident | 58.9 | Low | 19 Ų | 19 | 73.8 Ų | 73.8 | 10% | 0.099 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 121.2 | 171.1 | -178.8 | 64.6 | 0 | 0 | 0 | 111.9 | P195 S196 L199 Y267 A286 N290 T312 | P195-L309 HydrophobicContact CB-CD1 3.89Å; P195-L309 HydrophobicContact CB-CD2 3.51Å; P195-L309 HydrophobicContact CB-CG 4.1Å; P195-L309 HydrophobicContact CG-CD2 3.85Å; S196-L309 VanDerWaalsContact O-CD1 3.31Å; S196-L309 WeakPolarHBondContact O-CD1 3.38Å; L199-L309 HydrophobicContact CD2-CB 4.15Å; L199-L309 HydrophobicContact CD2-CD1 3.61Å; Y267-L309 PolarHBondContact OH-O 3.43Å; A286-L309 HydrophobicContact CB-CD1 4.43Å; N290-L309 HydrophobicContact CB-CB 4.36Å; N290-L309 PolarHBondContact OD1-N 2.93Å; L309-T312 HydrophobicContact CD2-CG2 3.83Å; L309-T312 HydrophobicContact CG-CG2 4.31Å |
| 310 | I | 74.4 | Confident | 58.3 | Low | 3 Ų | 3 | 77.4 Ų | 77.4 | 2% | 0.015 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -78.2 | 151.6 | 177.9 | -63.7 | 169.1 | 0 | 0 | 0 | 109.5 | S196 M198 L200 L263 I277 V308 T312 | S196-I310 WeakPolarHBondContact CB-O 3.45Å; S196-I310 PolarHBondContact N-O 3.39Å; S196-I310 VanDerWaalsContact N-O 3.09Å; S196-I310 PolarHBondContact OG-O 3.14Å; M198-I310 HydrophobicContact CB-CB 4.07Å; M198-I310 HydrophobicContact CB-CD1 3.99Å; M198-I310 HydrophobicContact CE-CD1 4.44Å; M198-I310 VanDerWaalsContact O-CB 3.31Å; M198-I310 WeakPolarHBondContact O-CB 3.48Å; M198-I310 PolarHBondContact O-N 3.35Å; L200-I310 HydrophobicContact CB-CD1 3.91Å; L200-I310 HydrophobicContact CB-CG1 3.85Å; L263-I310 HydrophobicContact CD1-CD1 4.48Å; L263-I310 HydrophobicContact CD1-CG2 3.57Å; L263-I310 HydrophobicContact CD2-CG2 4.29Å; I277-I310 HydrophobicContact CD1-CD1 4.13Å; I277-I310 HydrophobicContact CG1-CD1 4.33Å; I277-I310 HydrophobicContact CG2-CD1 4.2Å; V308-I310 PolarHBondContact O-N 3.41Å; I310-T312 PolarHBondContact O-N 3.32Å |
| 311 | G | 62.7 | Low | 57.1 | Low | 23 Ų | 23 | 80.8 Ų | 80.8 | 24% | 0.237 | 43% | 0.426 | C | S | . | . | S | Bend | trans | 97 | -28.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | S196 | S196-G311 WeakPolarHBondContact OG-CA 3.31Š|
| 312 | T | 57.2 | Low | 55.7 | Low | 43 Ų | 43 | 87.1 Ų | 87.1 | 26% | 0.264 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -59.1 | 142 | 165.4 | 62.4 | 0 | 0 | 0 | 0 | 109.3 | L309 I310 | L309-T312 HydrophobicContact CD2-CG2 3.83Å; L309-T312 HydrophobicContact CG-CG2 4.31Å; I310-T312 PolarHBondContact O-N 3.32Å |
| 313 | K | 45.6 | Very low | 54.5 | Low | 156 Ų | 156 | 93 Ų | 93 | 68% | 0.678 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 130 | 167.6 | -73.7 | 169.5 | -176.5 | 153.7 | 0 | 106.1 | ||
| 314 | P | 45.4 | Very low | 53 | Low | 76 Ų | 76 | 96.7 Ų | 96.7 | 49% | 0.494 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -53.7 | 132.1 | -173.4 | 21 | -33 | 0 | 0 | 0 | 109.2 | K316 | P314-K316 PolarHBondContact O-N 3.35Å; P314-K316 VanDerWaalsContact O-N 3.07Å |
| 315 | P | 43.5 | Very low | 51.8 | Low | 115 Ų | 115 | 107.6 Ų | 107.6 | 75% | 0.747 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 123.4 | 179.1 | 22.5 | -32.2 | 0 | 0 | 0 | 107.5 | K317 | P315-K317 PolarHBondContact O-N 3.26Š|
| 316 | K | 37.1 | Very low | 49.8 | Very low | 200 Ų | 200 | 116 Ų | 116 | 87% | 0.87 | 57% | 0.568 | S | S | * | * | trans | -60.5 | 103.8 | 173 | -69.5 | -179.4 | 179.3 | 179.4 | 0 | 106 | P314 K318 | P314-K316 PolarHBondContact O-N 3.35Å; P314-K316 VanDerWaalsContact O-N 3.07Å; K316-K318 VanDerWaalsContact C-N 3.31Å; K316-K318 PolarHBondContact O-N 3.03Å | ||
| 317 | K | 39.6 | Very low | 47.7 | Very low | 181 Ų | 181 | 121.8 Ų | 121.8 | 79% | 0.787 | 60% | 0.596 | S | S | * | * | trans | -47.7 | 95.1 | -178.3 | -100 | -169.8 | 169.3 | -171 | 0 | 110 | P315 V319 | P315-K317 PolarHBondContact O-N 3.26Å; K317-V319 PolarHBondContact O-N 2.91Å; K317-V319 VanDerWaalsContact O-N 3.16Å | ||
| 318 | K | 41.8 | Very low | 45.5 | Very low | 194 Ų | 194 | 125.2 Ų | 125.2 | 84% | 0.843 | 63% | 0.634 | S | S | * | * | trans | -79.7 | 86.6 | 159.9 | -77.6 | -169.2 | 176.8 | -175.9 | 0 | 104.3 | K316 P320 | K316-K318 VanDerWaalsContact C-N 3.31Å; K316-K318 PolarHBondContact O-N 3.03Å; K318-P320 WeakPolarHBondContact O-CD 3.39Å; K318-P320 VanDerWaalsContact O-N 3.11Å | ||
| 319 | V | 35.4 | Very low | 43.2 | Very low | 108 Ų | 108 | 127 Ų | 127 | 66% | 0.655 | 66% | 0.66 | S | S | * | * | trans | -58.9 | 113.7 | 168 | 177.8 | 0 | 0 | 0 | 0 | 106.5 | K317 K321 | K317-V319 PolarHBondContact O-N 2.91Å; K317-V319 VanDerWaalsContact O-N 3.16Å; V319-K321 HydrophobicContact CG1-CB 4.38Å; V319-K321 PolarHBondContact O-N 3.35Å | ||
| 320 | P | 39.2 | Very low | 41.1 | Very low | 114 Ų | 114 | 133.7 Ų | 133.7 | 74% | 0.74 | 69% | 0.693 | S | S | * | * | trans | -76.5 | 88.6 | 169.9 | 1.5 | 18.6 | 0 | 0 | 0 | 105 | K318 D322 | K318-P320 WeakPolarHBondContact O-CD 3.39Å; K318-P320 VanDerWaalsContact O-N 3.11Å; P320-D322 VanDerWaalsContact C-N 3.29Å; P320-D322 PolarHBondContact O-N 3.46Å | ||
| 321 | K | 30.5 | Very low | 39.5 | Very low | 180 Ų | 180 | 145.4 Ų | 145.4 | 78% | 0.783 | 74% | 0.737 | S | S | * | * | trans | -78.5 | 89.3 | 174.8 | -173.9 | 161.1 | -175.8 | 171.5 | 0 | 108.5 | V319 | V319-K321 HydrophobicContact CG1-CB 4.38Å; V319-K321 PolarHBondContact O-N 3.35Å | ||
| 322 | D | 31.6 | Very low | 38.6 | Very low | 141 Ų | 141 | 152.3 Ų | 152.3 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | trans | -57.4 | 151.6 | 164 | -149.3 | -24 | 0 | 0 | 0 | 110.2 | P320 | P320-D322 VanDerWaalsContact C-N 3.29Å; P320-D322 PolarHBondContact O-N 3.46Å | ||
| 323 | R | 34.1 | Very low | 37.9 | Very low | 233 Ų | 233 | 156 Ų | 156 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | trans | -91.8 | 132.3 | -173.1 | -71.3 | -177 | 175.5 | -175.3 | -0.3 | 111 | ||||
| 324 | P | 32.3 | Very low | 38.1 | Very low | 117 Ų | 117 | 160.1 Ų | 160.1 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | trans | -112.8 | 145.4 | 131.3 | 32 | -28.2 | 0 | 0 | 0 | 111 | ||||
| 325 | R | 38.7 | Very low | 38.6 | Very low | 242 Ų | 242 | 160.4 Ų | 160.4 | 91% | 0.913 | 80% | 0.803 | S | S | * | * | trans | -83.4 | 126.9 | 177.2 | 165.3 | -168.7 | 177.9 | -165.9 | 0.3 | 109.1 | ||||
| 326 | E | 30.8 | Very low | 38.8 | Very low | 179 Ų | 179 | 162.5 Ų | 162.5 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | trans | -166.6 | 163.5 | 159.3 | -100.2 | -74.4 | 97.2 | 0 | 0 | 108.3 | ||||
| 327 | E | 34.1 | Very low | 39.6 | Very low | 183 Ų | 183 | 159.3 Ų | 159.3 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | trans | -76 | 161.8 | -162.6 | -68.9 | -170.7 | 97.8 | 0 | 0 | 117.4 | ||||
| 328 | G | 37 | Very low | 40.5 | Very low | 85 Ų | 85 | 154 Ų | 154 | 88% | 0.876 | 79% | 0.785 | S | S | * | * | trans | 83.8 | 118.5 | 140.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 329 | G | 32.6 | Very low | 41.2 | Very low | 75 Ų | 75 | 153.6 Ų | 153.6 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | trans | 135.8 | 69.2 | 160.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | R331 | G329-R331 PolarHBondContact O-N 3.17Š| ||
| 330 | M | 38.8 | Very low | 42.2 | Very low | 159 Ų | 159 | 153.3 Ų | 153.3 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | trans | -75.5 | 87.2 | 179 | -164.6 | 93.1 | 69 | 0 | 0 | 112.6 | K332 | M330-K332 HydrophobicContact CG-CD 4.36Å; M330-K332 HydrophobicContact CG-CG 4.29Å; M330-K332 HydrophobicContact SD-CD 4.48Å | ||
| 331 | R | 42.3 | Very low | 43 | Very low | 250 Ų | 250 | 157.8 Ų | 157.8 | 94% | 0.943 | 78% | 0.779 | S | S | * | * | trans | -102.1 | 86.4 | 167.1 | -64 | -152.5 | -156.8 | -115.2 | 9.6 | 112 | G329 S333 | G329-R331 PolarHBondContact O-N 3.17Å; R331-S333 PolarHBondContact O-N 3.48Å | ||
| 332 | K | 43.8 | Very low | 44.1 | Very low | 168 Ų | 168 | 155.3 Ų | 155.3 | 73% | 0.73 | 77% | 0.77 | S | S | * | * | trans | -80.4 | 113 | 172.2 | -72 | 173.9 | 178.2 | 172.8 | 0 | 110.5 | M330 R334 | M330-K332 HydrophobicContact CG-CD 4.36Å; M330-K332 HydrophobicContact CG-CG 4.29Å; M330-K332 HydrophobicContact SD-CD 4.48Å; K332-R334 PolarHBondContact O-N 3.46Å | ||
| 333 | S | 41.8 | Very low | 45.1 | Very low | 121 Ų | 121 | 155.5 Ų | 155.5 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | trans | -68.1 | 99.9 | 168.5 | 44.7 | 0 | 0 | 0 | 0 | 110.2 | R331 S335 | R331-S333 PolarHBondContact O-N 3.48Å; S333-S335 PolarHBondContact O-N 3.28Å | ||
| 334 | R | 49 | Very low | 46 | Very low | 241 Ų | 241 | 152.3 Ų | 152.3 | 91% | 0.909 | 77% | 0.765 | S | S | * | * | trans | -66.9 | 101.7 | 175 | -77.5 | 177.8 | 167.4 | 151.5 | -5.1 | 110.1 | K332 | K332-R334 PolarHBondContact O-N 3.46Š| ||
| 335 | S | 57.7 | Low | 46.6 | Very low | 83 Ų | 83 | 156.7 Ų | 156.7 | 58% | 0.58 | 77% | 0.768 | S | S | * | * | trans | -78.2 | 143.6 | 166.8 | 67.2 | 0 | 0 | 0 | 0 | 110.4 | S333 N337 S338 | S333-S335 PolarHBondContact O-N 3.28Å; S335-N337 PolarHBondContact O-N 2.91Å; S335-S338 PolarHBondContact O-N 3.01Å; S335-S338 VanDerWaalsContact O-N 3.09Å | ||
| 336 | L | 47.2 | Very low | 46.6 | Very low | 158 Ų | 158 | 153.5 Ų | 153.5 | 83% | 0.827 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -23.5 | -171.6 | -70.9 | 166.1 | 0 | 0 | 0 | 114 | S338 | L336-S338 VanDerWaalsContact C-N 3.27Å; L336-S338 PolarHBondContact O-N 3.32Å |
| 337 | N | 54.1 | Low | 47.2 | Very low | 133 Ų | 133 | 147.8 Ų | 147.8 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | H | α-helix | trans | -72 | -13.7 | 179.2 | -71.3 | 6.7 | 0 | 0 | 0 | 114.3 | S335 | S335-N337 PolarHBondContact O-N 2.91Å |
| 338 | S | 57.8 | Low | 47.1 | Very low | 70 Ų | 70 | 146.3 Ų | 146.3 | 49% | 0.49 | 75% | 0.75 | S | S | . | * | H | α-helix | trans | -68.3 | -45.1 | 175.9 | -164.5 | 0 | 0 | 0 | 0 | 111.4 | S335 L336 V340 R341 E342 | S335-S338 PolarHBondContact O-N 3.01Å; S335-S338 VanDerWaalsContact O-N 3.09Å; L336-S338 VanDerWaalsContact C-N 3.27Å; L336-S338 PolarHBondContact O-N 3.32Å; S338-V340 VanDerWaalsContact C-N 3.32Å; S338-V340 PolarHBondContact O-N 2.84Å; S338-R341 PolarHBondContact O-N 3.43Å; S338-R341 VanDerWaalsContact O-N 3.16Å; S338-E342 WeakPolarHBondContact O-CB 3.23Å; S338-E342 PolarHBondContact O-N 3.25Å; S338-E342 VanDerWaalsContact O-N 3.07Å |
| 339 | R | 55.6 | Low | 46.8 | Very low | 186 Ų | 186 | 150 Ų | 150 | 70% | 0.702 | 75% | 0.75 | S | S | * | * | H | α-helix | trans | -69 | -28.7 | -171.6 | -164.7 | 170.9 | -175.6 | 136.7 | 1.6 | 113.1 | L343 | R339-L343 WeakPolarHBondContact O-CG 3.44Å; R339-L343 PolarHBondContact O-N 3.35Å |
| 340 | V | 57.7 | Low | 46.9 | Very low | 101 Ų | 101 | 152.5 Ų | 152.5 | 61% | 0.612 | 76% | 0.756 | S | S | * | * | H | α-helix | trans | -71.3 | -35.7 | 175.3 | 178.6 | 0 | 0 | 0 | 0 | 111.4 | S338 | S338-V340 VanDerWaalsContact C-N 3.32Å; S338-V340 PolarHBondContact O-N 2.84Å |
| 341 | R | 54.7 | Low | 46.6 | Very low | 208 Ų | 208 | 149.3 Ų | 149.3 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | H | α-helix | trans | -75.8 | -33.4 | 177.4 | -167.9 | 179.3 | -66.7 | 173.7 | -2.2 | 112.2 | S338 Q344 | S338-R341 PolarHBondContact O-N 3.43Å; S338-R341 VanDerWaalsContact O-N 3.16Å; R341-Q344 PolarHBondContact O-N 3.27Å |
| 342 | E | 54.7 | Low | 46.2 | Very low | 129 Ų | 129 | 143.9 Ų | 143.9 | 60% | 0.603 | 75% | 0.753 | S | S | * | * | H | α-helix | trans | -68 | -33.2 | 178.7 | -163.2 | 166.3 | -153.1 | 0 | 0 | 112.4 | S338 Q344 | S338-E342 WeakPolarHBondContact O-CB 3.23Å; S338-E342 PolarHBondContact O-N 3.25Å; S338-E342 VanDerWaalsContact O-N 3.07Å; E342-Q344 VanDerWaalsContact C-N 3.3Å; E342-Q344 PolarHBondContact O-N 3.03Å |
| 343 | L | 53.1 | Low | 45.4 | Very low | 145 Ų | 145 | 141.8 Ų | 141.8 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -6.4 | 177.3 | -73.4 | 170.3 | 0 | 0 | 0 | 115 | R339 | R339-L343 WeakPolarHBondContact O-CG 3.44Å; R339-L343 PolarHBondContact O-N 3.35Å |
| 344 | Q | 52.7 | Low | 45 | Very low | 165 Ų | 165 | 141.7 Ų | 141.7 | 77% | 0.771 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.7 | 11.7 | -177.3 | -157.3 | 157.1 | 18.5 | 0 | 0 | 113 | R341 E342 | R341-Q344 PolarHBondContact O-N 3.27Å; E342-Q344 VanDerWaalsContact C-N 3.3Å; E342-Q344 PolarHBondContact O-N 3.03Å |
| 345 | Y | 44.6 | Very low | 44.2 | Very low | 210 Ų | 210 | 135.2 Ų | 135.2 | 82% | 0.824 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -147.2 | 34.1 | -179.2 | -141.1 | -91.6 | 0 | 0 | 0 | 113.5 | ||
| 346 | H | 39.4 | Very low | 43 | Very low | 174 Ų | 174 | 139.7 Ų | 139.7 | 81% | 0.806 | 76% | 0.763 | S | S | * | * | trans | -139.4 | 59.2 | 170.6 | -114.2 | -57.9 | 0 | 0 | 0 | 110.6 | ||||
| 347 | G | 42.8 | Very low | 42.3 | Very low | 60 Ų | 60 | 138.1 Ų | 138.1 | 62% | 0.619 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -110.5 | 115.6 | 156.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||
| 348 | D | 32.7 | Very low | 41.3 | Very low | 151 Ų | 151 | 140.5 Ų | 140.5 | 81% | 0.807 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 75.5 | 158.9 | 169.9 | -52.3 | -59.2 | 0 | 0 | 0 | 119.3 | ||
| 349 | D | 29.5 | Very low | 40.2 | Very low | 163 Ų | 163 | 142.2 Ų | 142.2 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | trans | 71.7 | 82.7 | 175.1 | -57.1 | -35.9 | 0 | 0 | 0 | 120 | ||||
| 350 | S | 35.5 | Very low | 39.4 | Very low | 127 Ų | 127 | 139.6 Ų | 139.6 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | trans | -154.7 | 88.5 | 144.3 | 167.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 351 | A | 32.1 | Very low | 39.6 | Very low | 92 Ų | 92 | 140.2 Ų | 140.2 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | trans | -139.3 | 117.1 | 163.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 352 | C | 32.9 | Very low | 38.4 | Very low | 136 Ų | 136 | 136.1 Ų | 136.1 | 92% | 0.919 | 79% | 0.788 | S | S | * | * | trans | 69.1 | 106.5 | 155.7 | -56 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 353 | S | 28.4 | Very low | 37.8 | Very low | 124 Ų | 124 | 135.2 Ų | 135.2 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | trans | -125.4 | 112.2 | 142.9 | -176.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 354 | S | 33.1 | Very low | 37.8 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | -135.7 | 143.7 | 156.2 | -79.3 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 355 | S | 32.5 | Very low | 36.9 | Very low | 106 Ų | 106 | 137.1 Ų | 137.1 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | trans | -49.6 | 154.4 | 174.3 | -47.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 356 | E | 31.3 | Very low | 36.7 | Very low | 176 Ų | 176 | 135.5 Ų | 135.5 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | -173 | 153.6 | 67.7 | 49.2 | -152.9 | 55.4 | 0 | 0 | 114.9 | |||||
| 357 | T | 33.3 | Very low | 36.7 | Very low | 125 Ų | 125 | 131.5 Ų | 131.5 | 77% | 0.767 | 80% | 0.803 | S | S | * | * | trans | 45.9 | 113.8 | 159.7 | 56.5 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 358 | E | 33.9 | Very low | 36.4 | Very low | 183 Ų | 183 | 140.5 Ų | 140.5 | 86% | 0.855 | 82% | 0.818 | S | S | * | * | 77.3 | 144.2 | 125.9 | -150.2 | 174 | 90.1 | 0 | 0 | 122.2 | |||||
| 359 | S | 33.3 | Very low | 36.5 | Very low | 106 Ų | 106 | 142.4 Ų | 142.4 | 74% | 0.741 | 82% | 0.819 | S | S | * | * | trans | 85 | 111.9 | 164.7 | -65.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 360 | T | 38.9 | Very low | 36.7 | Very low | 132 Ų | 132 | 139 Ų | 139 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | trans | -77.9 | 179.4 | 153.2 | 57.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 361 | P | 61.4 | Low | 36.7 | Very low | 113 Ų | 113 | 141.4 Ų | 141.4 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | cis | -122.6 | -171.6 | -24.2 | 31.9 | -13.5 | 0 | 0 | 0 | 111.3 | ||||
| 362 | T | 31.2 | Very low | 37 | Very low | 122 Ų | 122 | 141.5 Ų | 141.5 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | 142.9 | 111.8 | 137.5 | -63.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 363 | S | 40.7 | Very low | 37 | Very low | 111 Ų | 111 | 141 Ų | 141 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | -73.9 | 152.9 | 159.4 | -47.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 364 | P | 53.3 | Low | 37.2 | Very low | 117 Ų | 117 | 142.4 Ų | 142.4 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | -146.1 | 157.8 | 100.5 | 34.7 | -18.4 | 0 | 0 | 0 | 116.8 | |||||
| 365 | R | 34.8 | Very low | 37.2 | Very low | 232 Ų | 232 | 145.7 Ų | 145.7 | 88% | 0.875 | 79% | 0.794 | S | S | * | * | trans | -25.7 | 151.9 | 154.7 | -61.4 | 168.1 | 161.7 | 168.3 | -5.8 | 115.4 | ||||
| 366 | L | 39.1 | Very low | 37.4 | Very low | 177 Ų | 177 | 148.6 Ų | 148.6 | 93% | 0.927 | 80% | 0.8 | S | S | * | * | -166.2 | 155.3 | 105.7 | -101.1 | 169.2 | 0 | 0 | 0 | 112.5 | |||||
| 367 | A | 39.9 | Very low | 37.7 | Very low | 89 Ų | 89 | 145.2 Ų | 145.2 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | trans | -103.3 | 154.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 368 | R | 37.2 | Very low | 38.5 | Very low | 250 Ų | 250 | 145.6 Ų | 145.6 | 94% | 0.943 | 80% | 0.801 | S | S | * | * | trans | -145.6 | 148.8 | 153 | -147.9 | 165.3 | -173.4 | 147.7 | 1.3 | 111.9 | ||||
| 369 | K | 34.8 | Very low | 38.6 | Very low | 191 Ų | 191 | 143.2 Ų | 143.2 | 83% | 0.83 | 80% | 0.799 | S | S | * | * | trans | -104.7 | 169.8 | -168.5 | -58.6 | 173.2 | 175.9 | 179.8 | 0 | 111.4 | ||||
| 370 | S | 33.3 | Very low | 38.8 | Very low | 92 Ų | 92 | 144.6 Ų | 144.6 | 64% | 0.643 | 80% | 0.803 | S | S | * | * | trans | 78.2 | 128.9 | 135.1 | 64.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 371 | Q | 34.5 | Very low | 38.6 | Very low | 176 Ų | 176 | 142.8 Ų | 142.8 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | trans | 69.3 | 148.7 | 138.1 | -76.4 | 162.6 | -54.7 | 0 | 0 | 117.8 | ||||
| 372 | S | 40.1 | Very low | 37.3 | Very low | 95 Ų | 95 | 140.4 Ų | 140.4 | 66% | 0.664 | 80% | 0.797 | S | S | * | * | cis | 161.1 | 127 | -20.1 | 52.1 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 373 | C | 32 | Very low | 37.4 | Very low | 124 Ų | 124 | 142.8 Ų | 142.8 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | trans | 166.6 | 117.8 | 141.2 | 57.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 374 | N | 32.7 | Very low | 37.1 | Very low | 154 Ų | 154 | 140 Ų | 140 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | 22.9 | 138 | 125.8 | -84.2 | -25 | 0 | 0 | 0 | 123.1 | |||||
| 375 | K | 32.8 | Very low | 36.2 | Very low | 188 Ų | 188 | 143.4 Ų | 143.4 | 82% | 0.817 | 80% | 0.795 | S | S | * | * | trans | 102.6 | 102.5 | 146 | -72.8 | 167.9 | -179.7 | -176.1 | 0 | 120.5 | ||||
| 376 | L | 36.1 | Very low | 36.3 | Very low | 167 Ų | 167 | 141.5 Ų | 141.5 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | 49.8 | 137.4 | 122.8 | -58.9 | 176.9 | 0 | 0 | 0 | 122.2 | |||||
| 377 | S | 39.3 | Very low | 36 | Very low | 105 Ų | 105 | 139.1 Ų | 139.1 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | trans | -70.9 | 174.2 | -178.6 | -31.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 378 | P | 48.7 | Very low | 35.8 | Very low | 133 Ų | 133 | 140.8 Ų | 140.8 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | -133 | -178.3 | 112.8 | 38.3 | -29.4 | 0 | 0 | 0 | 115.2 | |||||
| 379 | T | 36.4 | Very low | 35.7 | Very low | 133 Ų | 133 | 136.7 Ų | 136.7 | 82% | 0.816 | 77% | 0.772 | S | S | * | * | trans | -118.7 | 168.9 | -163.4 | -64.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 380 | T | 36.7 | Very low | 35.7 | Very low | 136 Ų | 136 | 135.1 Ų | 135.1 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | trans | 102.6 | 147.1 | 163.3 | -136.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 381 | A | 36.5 | Very low | 36.2 | Very low | 94 Ų | 94 | 136.3 Ų | 136.3 | 78% | 0.777 | 78% | 0.781 | S | S | * | * | cis | -144.8 | -179.6 | 1.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 382 | G | 33.6 | Very low | 36.9 | Very low | 62 Ų | 62 | 134.2 Ų | 134.2 | 64% | 0.639 | 78% | 0.782 | S | S | * | * | cis | 164 | -173.3 | 3.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 383 | I | 32.8 | Very low | 36.4 | Very low | 173 Ų | 173 | 133 Ų | 133 | 89% | 0.887 | 79% | 0.785 | S | S | * | * | trans | 95.6 | 112.7 | 173.3 | -51.4 | 158.6 | 0 | 0 | 0 | 113.3 | ||||
| 384 | G | 33.8 | Very low | 36.4 | Very low | 51 Ų | 51 | 135.8 Ų | 135.8 | 53% | 0.526 | 79% | 0.789 | S | S | . | * | cis | 99.5 | 132.4 | 7.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 385 | F | 35.8 | Very low | 36.7 | Very low | 190 Ų | 190 | 133.4 Ų | 133.4 | 83% | 0.833 | 79% | 0.785 | S | S | * | * | cis | -149.3 | 174.2 | 3.1 | -77.7 | -88.8 | 0 | 0 | 0 | 107.8 | ||||
| 386 | Q | 36 | Very low | 37.5 | Very low | 192 Ų | 192 | 130 Ų | 130 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | -174.7 | -173.6 | 62.8 | -63.9 | -176.8 | 14.4 | 0 | 0 | 109.7 | |||||
| 387 | N | 34.1 | Very low | 37.5 | Very low | 126 Ų | 126 | 132.3 Ų | 132.3 | 67% | 0.674 | 78% | 0.779 | S | S | * | * | -161 | 138.7 | -73.2 | -140 | -1.3 | 0 | 0 | 0 | 109.6 | |||||
| 388 | N | 35.4 | Very low | 37.2 | Very low | 125 Ų | 125 | 132.8 Ų | 132.8 | 67% | 0.668 | 77% | 0.773 | S | S | * | * | trans | 22.5 | 137.6 | 161.7 | -57.7 | -24.3 | 0 | 0 | 0 | 124.2 | ||||
| 389 | H | 35 | Very low | 36.8 | Very low | 163 Ų | 163 | 131.9 Ų | 131.9 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | 169.7 | 129.7 | 106 | -95.6 | -82.4 | 0 | 0 | 0 | 116.2 | |||||
| 390 | L | 35 | Very low | 37.4 | Very low | 159 Ų | 159 | 130.8 Ų | 130.8 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | trans | 44.1 | 137.1 | 143.1 | -56.2 | 171.8 | 0 | 0 | 0 | 124.8 | ||||
| 391 | S | 42.4 | Very low | 37.2 | Very low | 117 Ų | 117 | 135.7 Ų | 135.7 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -87.4 | -176.9 | 176.8 | -20 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 392 | P | 50.5 | Low | 37.1 | Very low | 131 Ų | 131 | 136.1 Ų | 136.1 | 85% | 0.851 | 77% | 0.766 | S | S | * | * | cis | -144.6 | 178.4 | 28.6 | 43.3 | -23.1 | 0 | 0 | 0 | 118.5 | ||||
| 393 | G | 28.3 | Very low | 37.3 | Very low | 70 Ų | 70 | 138.7 Ų | 138.7 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | trans | 155.9 | 94.2 | 158.3 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 394 | I | 33.5 | Very low | 38 | Very low | 182 Ų | 182 | 136.2 Ų | 136.2 | 93% | 0.933 | 77% | 0.769 | S | S | * | * | trans | 75.5 | 127 | 147.9 | -57.5 | 166.2 | 0 | 0 | 0 | 120.7 | ||||
| 395 | S | 37.5 | Very low | 38.1 | Very low | 105 Ų | 105 | 145.4 Ų | 145.4 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | trans | -63.8 | 175.2 | -179.6 | -93.5 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 396 | P | 50.3 | Low | 37.9 | Very low | 115 Ų | 115 | 141.4 Ų | 141.4 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | cis | -126.7 | 159.8 | 25.1 | 21.3 | 4.6 | 0 | 0 | 0 | 116.7 | ||||
| 397 | R | 35.9 | Very low | 37.8 | Very low | 216 Ų | 216 | 137.7 Ų | 137.7 | 82% | 0.815 | 79% | 0.785 | S | S | * | * | 60.5 | 138 | 72.5 | -112.2 | -173.3 | 173.8 | -124.3 | 0.6 | 112.6 | |||||
| 398 | N | 33.1 | Very low | 38.5 | Very low | 116 Ų | 116 | 136.9 Ų | 136.9 | 62% | 0.62 | 79% | 0.787 | S | S | * | * | cis | -169.1 | 148.8 | 19.2 | -162.3 | 51 | 0 | 0 | 0 | 111.4 | ||||
| 399 | S | 39.7 | Very low | 38.3 | Very low | 113 Ų | 113 | 136.6 Ų | 136.6 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | 179.1 | 151.9 | 147.6 | 42.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 400 | P | 49.4 | Very low | 39.2 | Very low | 111 Ų | 111 | 134 Ų | 134 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | trans | -126.5 | 139.5 | -135.4 | 18.8 | 5.1 | 0 | 0 | 0 | 119.1 | ||||
| 401 | W | 33.6 | Very low | 39.1 | Very low | 239 Ų | 239 | 134.5 Ų | 134.5 | 91% | 0.905 | 79% | 0.789 | S | S | * | * | 87.1 | 140.2 | 124.3 | -140.6 | -94.2 | 0 | 0 | 0 | 122.6 | |||||
| 402 | S | 33.3 | Very low | 38.5 | Very low | 102 Ų | 102 | 138.1 Ų | 138.1 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | trans | -122.2 | 172 | -178.7 | -63.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 403 | S | 38.9 | Very low | 37.6 | Very low | 116 Ų | 116 | 140.1 Ų | 140.1 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | trans | -51.4 | 164.4 | 172.9 | -43 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 404 | P | 47.6 | Very low | 37.9 | Very low | 121 Ų | 121 | 141.8 Ų | 141.8 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | -152.1 | 177.2 | 100.4 | 39.1 | -21.5 | 0 | 0 | 0 | 117.3 | |||||
| 405 | R | 34.9 | Very low | 39 | Very low | 245 Ų | 245 | 137.2 Ų | 137.2 | 93% | 0.925 | 76% | 0.763 | S | S | * | * | trans | -88.5 | 149.2 | 163.5 | -78.6 | 173.2 | 156.5 | -131.6 | 1.6 | 111.2 | ||||
| 406 | A | 31.1 | Very low | 38.6 | Very low | 106 Ų | 106 | 140.6 Ų | 140.6 | 88% | 0.876 | 77% | 0.767 | S | S | * | * | trans | -178.7 | 156 | 135.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 407 | S | 33.7 | Very low | 37.9 | Very low | 113 Ų | 113 | 139.2 Ų | 139.2 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | trans | -108.5 | -165.4 | -175.3 | 51.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 408 | P | 48.7 | Very low | 37.6 | Very low | 110 Ų | 110 | 136.7 Ų | 136.7 | 71% | 0.714 | 76% | 0.757 | S | S | * | * | cis | -151 | -177.3 | 9.1 | 43.7 | -21.7 | 0 | 0 | 0 | 120.6 | ||||
| 409 | C | 32.8 | Very low | 37.5 | Very low | 119 Ų | 119 | 140.4 Ų | 140.4 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | 88 | 161.4 | 141.1 | -93.7 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 410 | P | 54 | Low | 37.4 | Very low | 108 Ų | 108 | 140.8 Ų | 140.8 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | -142.9 | -155.4 | -122.8 | 45 | -22.3 | 0 | 0 | 0 | 117.9 | |||||
| 411 | Q | 31.4 | Very low | 37.3 | Very low | 170 Ų | 170 | 140.6 Ų | 140.6 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | trans | 79.3 | 149.5 | 175 | -74.7 | -178.6 | -63.6 | 0 | 0 | 116.5 | ||||
| 412 | R | 29.4 | Very low | 37.2 | Very low | 192 Ų | 192 | 136.8 Ų | 136.8 | 73% | 0.725 | 77% | 0.766 | S | S | * | * | cis | -160.5 | 158 | 18 | -142 | -176.4 | 173.4 | -169.1 | 2 | 112.9 | ||||
| 413 | K | 31.5 | Very low | 37.1 | Very low | 173 Ų | 173 | 139.1 Ų | 139.1 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | trans | 72 | 128.9 | 155.1 | -59.3 | -167.7 | 178.6 | -177.8 | 0 | 122.5 | ||||
| 414 | S | 34.8 | Very low | 36.7 | Very low | 105 Ų | 105 | 136.9 Ų | 136.9 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | trans | -105.1 | -165 | 146.6 | 58.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 415 | P | 56.8 | Low | 35.9 | Very low | 87 Ų | 87 | 139.4 Ų | 139.4 | 57% | 0.565 | 78% | 0.778 | S | S | * | * | cis | -128.7 | -174.3 | -27.4 | 19.9 | 4.9 | 0 | 0 | 0 | 112.4 | ||||
| 416 | H | 29.2 | Very low | 35.7 | Very low | 176 Ų | 176 | 130.6 Ų | 130.6 | 82% | 0.815 | 76% | 0.763 | S | S | * | * | 160.7 | 160.1 | 119.6 | -80.5 | -54.2 | 0 | 0 | 0 | 115.2 | |||||
| 417 | S | 36.8 | Very low | 35.7 | Very low | 85 Ų | 85 | 136 Ų | 136 | 59% | 0.594 | 76% | 0.76 | S | S | * | * | trans | -97 | 167.1 | -174.2 | 43.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 418 | H | 28.5 | Very low | 35.8 | Very low | 164 Ų | 164 | 137.4 Ų | 137.4 | 76% | 0.759 | 76% | 0.758 | S | S | * | * | 142.1 | 152.7 | 129 | -74.8 | -76 | 0 | 0 | 0 | 114.9 | |||||
| 419 | K | 31 | Very low | 35.1 | Very low | 193 Ų | 193 | 137.1 Ų | 137.1 | 84% | 0.839 | 76% | 0.759 | S | S | * | * | trans | 84.4 | 112.8 | 156.2 | -40.2 | -165.1 | -175.1 | -179.8 | 0 | 119.2 | ||||
| 420 | S | 38.1 | Very low | 35.9 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 85% | 0.853 | 76% | 0.758 | S | S | * | * | trans | -82.3 | 152.8 | 145.4 | -50.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 421 | P | 46.3 | Very low | 34.8 | Very low | 107 Ų | 107 | 140.8 Ų | 140.8 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | -148.8 | 138.2 | 114.4 | 36.5 | -19 | 0 | 0 | 0 | 113.6 | |||||
| 422 | L | 32.4 | Very low | 34.8 | Very low | 159 Ų | 159 | 137.6 Ų | 137.6 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | 94.2 | 137.8 | 89.5 | -74.3 | 177.6 | 0 | 0 | 0 | 116.7 | |||||
| 423 | V | 32 | Very low | 35 | Very low | 150 Ų | 150 | 132.2 Ų | 132.2 | 91% | 0.909 | 77% | 0.773 | S | S | * | * | trans | 64.9 | 141.6 | 160.8 | 178.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 424 | G | 30.2 | Very low | 35.5 | Very low | 70 Ų | 70 | 135.4 Ų | 135.4 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | cis | -151.8 | -167.7 | -7.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 425 | D | 31.1 | Very low | 35.8 | Very low | 174 Ų | 174 | 140.9 Ų | 140.9 | 93% | 0.93 | 78% | 0.784 | S | S | * | * | cis | -166.1 | 172.4 | 8.9 | -169.1 | -1.7 | 0 | 0 | 0 | 107.4 | ||||
| 426 | G | 29.7 | Very low | 34.6 | Very low | 59 Ų | 59 | 148.2 Ų | 148.2 | 61% | 0.608 | 80% | 0.801 | S | S | * | * | trans | 87.3 | 83.1 | 147.6 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 427 | R | 32.1 | Very low | 35.2 | Very low | 219 Ų | 219 | 143.5 Ų | 143.5 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | 71.5 | 128.7 | 125.7 | -95.8 | -170 | 177.2 | -94.2 | 0.6 | 124.1 | |||||
| 428 | L | 34 | Very low | 34.9 | Very low | 143 Ų | 143 | 146.7 Ų | 146.7 | 75% | 0.749 | 80% | 0.803 | S | S | * | * | trans | 95.1 | 106.9 | 138.1 | -67.4 | 173.4 | 0 | 0 | 0 | 122 | ||||
| 429 | S | 34.8 | Very low | 35.1 | Very low | 105 Ų | 105 | 148.8 Ų | 148.8 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | trans | -72.1 | 167.4 | 146.7 | -127.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 430 | P | 48.8 | Very low | 35.1 | Very low | 121 Ų | 121 | 144 Ų | 144 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | cis | -142.6 | -171 | 47 | 38.3 | -15.8 | 0 | 0 | 0 | 117.2 | ||||
| 431 | E | 31 | Very low | 34.9 | Very low | 183 Ų | 183 | 143.8 Ų | 143.8 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | trans | -68.8 | 157.2 | -167.1 | -60.1 | 157.4 | 87.4 | 0 | 0 | 117.4 | ||||
| 432 | A | 32.5 | Very low | 34 | Very low | 103 Ų | 103 | 145.8 Ų | 145.8 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | 172.7 | 153.7 | 108.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 433 | G | 32.9 | Very low | 34 | Very low | 79 Ų | 79 | 142.8 Ų | 142.8 | 81% | 0.814 | 79% | 0.792 | S | S | * | * | trans | 100.8 | 121.8 | 159.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 434 | R | 42 | Very low | 34.1 | Very low | 240 Ų | 240 | 140.1 Ų | 140.1 | 91% | 0.906 | 78% | 0.78 | S | S | * | * | trans | -136.3 | 161 | 168.1 | -73.1 | -173.5 | 177.1 | -87.2 | 0.8 | 110.9 | ||||
| 435 | R | 42 | Very low | 34.2 | Very low | 219 Ų | 219 | 144.2 Ų | 144.2 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | trans | 80.3 | 139.3 | -161 | -47.6 | -165.4 | -153 | -76.5 | 1.5 | 111.3 | ||||
| 436 | W | 30.3 | Very low | 34.5 | Very low | 241 Ų | 241 | 142.5 Ų | 142.5 | 91% | 0.913 | 78% | 0.78 | S | S | * | * | cis | -128.9 | -128.2 | 1.7 | -104.4 | 122 | 0 | 0 | 0 | 111.8 | ||||
| 437 | A | 41.8 | Very low | 35 | Very low | 77 Ų | 77 | 146 Ų | 146 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | trans | -92.7 | 156.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 438 | D | 31.4 | Very low | 35.6 | Very low | 153 Ų | 153 | 141.4 Ų | 141.4 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | -172.5 | 160.5 | 76.4 | -99 | -34.7 | 0 | 0 | 0 | 114.8 | |||||
| 439 | Y | 32 | Very low | 36.2 | Very low | 208 Ų | 208 | 137.2 Ų | 137.2 | 82% | 0.816 | 79% | 0.785 | S | S | * | * | trans | 47.8 | 103.6 | 151.5 | -109.7 | -113.1 | 0 | 0 | 0 | 124.3 | ||||
| 440 | S | 32.5 | Very low | 37.6 | Very low | 91 Ų | 91 | 135.2 Ų | 135.2 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | 81.2 | 135 | 120.3 | -62.8 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 441 | S | 33.2 | Very low | 38.2 | Very low | 118 Ų | 118 | 134 Ų | 134 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | trans | 108.4 | 96.9 | 142.6 | -63.9 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 442 | D | 28 | Very low | 39.2 | Very low | 150 Ų | 150 | 135.2 Ų | 135.2 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | 88.7 | 147 | 122.6 | -160 | 46.4 | 0 | 0 | 0 | 122.9 | |||||
| 443 | S | 32.8 | Very low | 41.2 | Very low | 95 Ų | 95 | 134.4 Ų | 134.4 | 66% | 0.664 | 75% | 0.745 | S | S | * | * | trans | 73 | 131.6 | 167.3 | -75.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 444 | S | 33.8 | Very low | 42.9 | Very low | 94 Ų | 94 | 136.5 Ų | 136.5 | 66% | 0.657 | 73% | 0.733 | S | S | * | * | cis | -166.7 | 169.4 | -8.5 | 67.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 445 | L | 32.1 | Very low | 44.1 | Very low | 157 Ų | 157 | 134.4 Ų | 134.4 | 82% | 0.822 | 73% | 0.725 | S | S | * | * | trans | 65.9 | 94.6 | 151.7 | -64.8 | 165 | 0 | 0 | 0 | 122.2 | ||||
| 446 | T | 37.1 | Very low | 45.3 | Very low | 137 Ų | 137 | 133.3 Ų | 133.3 | 84% | 0.84 | 72% | 0.721 | S | S | * | * | trans | -141.3 | 140.3 | 131.4 | 51.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 447 | P | 41.2 | Very low | 47 | Very low | 133 Ų | 133 | 129 Ų | 129 | 86% | 0.864 | 71% | 0.709 | S | S | * | * | trans | -98.7 | 90.3 | -174.7 | 36 | -32.3 | 0 | 0 | 0 | 113 | ||||
| 448 | S | 43.2 | Very low | 47.9 | Very low | 123 Ų | 123 | 132.6 Ų | 132.6 | 86% | 0.86 | 71% | 0.712 | S | S | * | * | trans | -147.4 | 64.9 | 167.2 | -163.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 449 | G | 46.8 | Very low | 49.2 | Very low | 55 Ų | 55 | 131 Ų | 131 | 57% | 0.567 | 71% | 0.708 | S | S | * | * | trans | -95 | 115 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 450 | S | 63.7 | Low | 50.2 | Low | 62 Ų | 62 | 125 Ų | 125 | 43% | 0.434 | 70% | 0.702 | S | S | . | * | trans | -63.5 | 136.7 | 173.5 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | W452 V453 | S450-W452 PolarHBondContact O-N 3.4Å; S450-V453 WeakPolarHBondContact O-CB 3.36Å; S450-V453 PolarHBondContact O-N 3.16Å | ||
| 451 | P | 62 | Low | 50.9 | Low | 97 Ų | 97 | 125.5 Ų | 125.5 | 63% | 0.63 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -55.4 | -25.9 | -176.5 | -28.2 | 34.8 | 0 | 0 | 0 | 115 | R455 | P451-R455 PolarHBondContact O-N 3.26Å |
| 452 | W | 51.3 | Low | 51.3 | Low | 208 Ų | 208 | 128.6 Ų | 128.6 | 79% | 0.788 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -71.2 | -29.1 | 177.7 | -72 | 73.4 | 0 | 0 | 0 | 113 | S450 R456 | S450-W452 PolarHBondContact O-N 3.4Å; W452-R456 PolarHBondContact O-N 3.16Å |
| 453 | V | 75.2 | Confident | 51.7 | Low | 86 Ų | 86 | 130 Ų | 130 | 52% | 0.521 | 71% | 0.708 | S | S | . | * | H | α-helix | trans | -74.8 | -41.6 | 178.4 | -179.1 | 0 | 0 | 0 | 0 | 110.4 | S450 R456 K457 | S450-V453 WeakPolarHBondContact O-CB 3.36Å; S450-V453 PolarHBondContact O-N 3.16Å; V453-R456 PolarHBondContact O-N 3.07Å; V453-K457 PolarHBondContact O-N 2.95Å |
| 454 | Q | 67.9 | Low | 52 | Low | 123 Ų | 123 | 130.9 Ų | 130.9 | 58% | 0.575 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -62.2 | -44.9 | 174.4 | -85.4 | 164.8 | -49.2 | 0 | 0 | 112.2 | R456 K457 Q458 | Q454-R456 VanDerWaalsContact C-N 3.28Å; Q454-R456 PolarHBondContact O-N 3.3Å; Q454-K457 PolarHBondContact O-N 3.17Å; Q454-Q458 PolarHBondContact O-N 2.91Å |
| 455 | R | 68.8 | Low | 52.2 | Low | 196 Ų | 196 | 131.9 Ų | 131.9 | 74% | 0.74 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -61.3 | -36.3 | 176.8 | -172.3 | 173.2 | -68.9 | -108.1 | -1.2 | 112.4 | P451 | P451-R455 PolarHBondContact O-N 3.26Å |
| 456 | R | 66.6 | Low | 53 | Low | 196 Ų | 196 | 130.2 Ų | 130.2 | 74% | 0.74 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -72.2 | -38.2 | 177.1 | -159.2 | -178.9 | -62.1 | -170.8 | 0.5 | 112.4 | W452 V453 Q454 V459 | W452-R456 PolarHBondContact O-N 3.16Å; V453-R456 PolarHBondContact O-N 3.07Å; Q454-R456 VanDerWaalsContact C-N 3.28Å; Q454-R456 PolarHBondContact O-N 3.3Å; R456-V459 PolarHBondContact O-N 2.93Å |
| 457 | K | 65.8 | Low | 52.9 | Low | 151 Ų | 151 | 131.1 Ų | 131.1 | 66% | 0.657 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -62 | -43.7 | 174.1 | -86.3 | -168.5 | 167.8 | -170.6 | 0 | 112.5 | V453 Q454 V459 A460 S461 | V453-K457 PolarHBondContact O-N 2.95Å; Q454-K457 PolarHBondContact O-N 3.17Å; K457-V459 PolarHBondContact O-N 2.77Å; K457-A460 PolarHBondContact O-N 3.31Å; K457-S461 PolarHBondContact O-N 3.5Å; K457-S461 PolarHBondContact O-OG 2.7Å |
| 458 | Q | 61.7 | Low | 52.3 | Low | 151 Ų | 151 | 127.9 Ų | 127.9 | 71% | 0.706 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -64.3 | -23.4 | -177.6 | -74.7 | -177.7 | -17.9 | 0 | 0 | 114.5 | Q454 | Q454-Q458 PolarHBondContact O-N 2.91Å |
| 459 | V | 58.6 | Low | 52.2 | Low | 119 Ų | 119 | 128.1 Ų | 128.1 | 72% | 0.721 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -82 | -22.6 | 175.3 | -177.7 | 0 | 0 | 0 | 0 | 111.9 | R456 K457 | R456-V459 PolarHBondContact O-N 2.93Å; K457-V459 PolarHBondContact O-N 2.77Å |
| 460 | A | 51.8 | Low | 52.1 | Low | 83 Ų | 83 | 131.5 Ų | 131.5 | 69% | 0.686 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | 2.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | K457 | K457-A460 PolarHBondContact O-N 3.31Š|
| 461 | S | 48 | Very low | 50.8 | Low | 101 Ų | 101 | 136.4 Ų | 136.4 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.3 | 13.5 | -179 | -56.6 | 0 | 0 | 0 | 0 | 113.9 | K457 | K457-S461 PolarHBondContact O-N 3.5Å; K457-S461 PolarHBondContact O-OG 2.7Å |
| 462 | Q | 41.6 | Very low | 49.9 | Very low | 183 Ų | 183 | 139.2 Ų | 139.2 | 86% | 0.855 | 76% | 0.756 | S | S | * | * | trans | -109.4 | 79.9 | 165.5 | -70.9 | -164.2 | 28 | 0 | 0 | 109.8 | ||||
| 463 | E | 36.4 | Very low | 49.5 | Very low | 181 Ų | 181 | 132.6 Ų | 132.6 | 85% | 0.846 | 75% | 0.752 | S | S | * | * | trans | -122.9 | 99.8 | 160.7 | -167.7 | 178.8 | 144.6 | 0 | 0 | 109.2 | ||||
| 464 | S | 38.7 | Very low | 47.9 | Very low | 113 Ų | 113 | 140.1 Ų | 140.1 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | trans | -151 | 84.1 | 153.6 | 52.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 465 | S | 38.6 | Very low | 46.7 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | trans | -64.1 | 149.6 | 161.3 | -62.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 466 | P | 47.2 | Very low | 45.5 | Very low | 123 Ų | 123 | 140.9 Ų | 140.9 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | trans | -116.2 | 158.8 | 130.4 | 33.6 | -32 | 0 | 0 | 0 | 111.9 | ||||
| 467 | V | 36.9 | Very low | 44.6 | Very low | 156 Ų | 156 | 137.5 Ų | 137.5 | 95% | 0.945 | 78% | 0.777 | S | S | * | * | trans | -67 | 150.2 | -174.6 | 75.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 468 | G | 28.6 | Very low | 43.1 | Very low | 65 Ų | 65 | 137.3 Ų | 137.3 | 67% | 0.67 | 78% | 0.783 | S | S | * | * | trans | 152.7 | 107.8 | 165.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 469 | S | 40.4 | Very low | 42.2 | Very low | 128 Ų | 128 | 134.4 Ų | 134.4 | 90% | 0.895 | 79% | 0.785 | S | S | * | * | trans | -79.2 | 139.5 | 159.2 | -66.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 470 | P | 44.6 | Very low | 42 | Very low | 125 Ų | 125 | 135.3 Ų | 135.3 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | trans | -137.6 | 163.8 | 133.4 | 34.2 | -20.6 | 0 | 0 | 0 | 113.8 | ||||
| 471 | M | 35.4 | Very low | 42.2 | Very low | 165 Ų | 165 | 135.4 Ų | 135.4 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | trans | -84.9 | 165.8 | -171.5 | -58.6 | -174.8 | 75 | 0 | 0 | 114.4 | ||||
| 472 | L | 44.6 | Very low | 42.8 | Very low | 156 Ų | 156 | 133.9 Ų | 133.9 | 82% | 0.817 | 78% | 0.779 | S | S | * | * | trans | 47.4 | 91.2 | 144.3 | -74.3 | 165.7 | 0 | 0 | 0 | 118.5 | ||||
| 473 | G | 42.6 | Very low | 43.8 | Very low | 69 Ų | 69 | 129 Ų | 129 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | 82.7 | 123.1 | 123.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 474 | R | 40.3 | Very low | 44.7 | Very low | 244 Ų | 244 | 127 Ų | 127 | 92% | 0.921 | 77% | 0.766 | S | S | * | * | trans | -165.9 | 114.9 | 137.1 | -104.6 | 150.2 | -167.9 | -124.2 | 2.7 | 112.5 | ||||
| 475 | K | 42.8 | Very low | 45.8 | Very low | 160 Ų | 160 | 125.5 Ų | 125.5 | 70% | 0.696 | 77% | 0.768 | S | S | * | * | 38.4 | 90.2 | 127.8 | -165 | 179.2 | -177.2 | -173.4 | 0 | 116.4 | Q477 | K475-Q477 HydrophobicContact CD-CG 4.41Å; K475-Q477 HydrophobicContact CG-CG 4.17Å; K475-Q477 PolarHBondContact O-N 3.38Å | |||
| 476 | I | 44.9 | Very low | 46.8 | Very low | 175 Ų | 175 | 123 Ų | 123 | 90% | 0.897 | 75% | 0.748 | S | S | * | * | trans | -65.2 | 113 | 163.7 | -60.3 | 172.4 | 0 | 0 | 0 | 108.2 | ||||
| 477 | Q | 46.5 | Very low | 47.4 | Very low | 125 Ų | 125 | 125.9 Ų | 125.9 | 58% | 0.584 | 75% | 0.753 | S | S | * | * | trans | -108.3 | 118.5 | 166.6 | -83.9 | 167.9 | 107.4 | 0 | 0 | 108.5 | K475 | K475-Q477 HydrophobicContact CD-CG 4.41Å; K475-Q477 HydrophobicContact CG-CG 4.17Å; K475-Q477 PolarHBondContact O-N 3.38Å | ||
| 478 | N | 35.3 | Very low | 48.5 | Very low | 147 Ų | 147 | 127.6 Ų | 127.6 | 79% | 0.786 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 67.8 | 116.2 | 154.9 | -52 | -31 | 0 | 0 | 0 | 119.4 | ||
| 479 | A | 42.7 | Very low | 50.1 | Low | 90 Ų | 90 | 130 Ų | 130 | 74% | 0.744 | 74% | 0.739 | S | S | * | * | S | Bend | trans | 57 | 131.1 | 146.1 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||
| 480 | D | 54.4 | Low | 50.9 | Low | 139 Ų | 139 | 129.5 Ų | 129.5 | 74% | 0.743 | 73% | 0.733 | S | S | * | * | trans | 70.2 | 27.7 | 151.5 | -58.6 | -15.8 | 0 | 0 | 0 | 120.8 | L482 | D480-L482 PolarHBondContact O-N 2.89Š| ||
| 481 | G | 56.8 | Low | 51.5 | Low | 85 Ų | 85 | 131.3 Ų | 131.3 | 88% | 0.876 | 72% | 0.724 | S | S | * | * | trans | -72.9 | 49 | 151.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 482 | L | 58.8 | Low | 52.9 | Low | 68 Ų | 68 | 125 Ų | 125 | 36% | 0.356 | 70% | 0.701 | S | S | . | * | P | Polyproline II helix | trans | -97.9 | 133.1 | -179.8 | -73.4 | 172.3 | 0 | 0 | 0 | 111.9 | D480 L489 | D480-L482 PolarHBondContact O-N 2.89Å; L482-L489 HydrophobicContact CD2-CG 4.25Å |
| 483 | P | 62.6 | Low | 53.7 | Low | 81 Ų | 81 | 124 Ų | 124 | 53% | 0.526 | 70% | 0.704 | S | S | . | * | P | Polyproline II helix | trans | -68.6 | 146.8 | 178.5 | 27.8 | -33.7 | 0 | 0 | 0 | 111.6 | G485 V486 | P483-G485 PolarHBondContact O-N 3.23Å; P483-V486 HydrophobicContact CG-CB 4.26Å; P483-V486 HydrophobicContact CG-CG2 4.04Å; P483-V486 PolarHBondContact O-N 2.98Å; P483-V486 VanDerWaalsContact O-N 3.13Å |
| 484 | P | 55.2 | Low | 54.6 | Low | 139 Ų | 139 | 127.6 Ų | 127.6 | 90% | 0.903 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.6 | 126.1 | -175.1 | -27.8 | 35 | 0 | 0 | 0 | 113.2 | ||
| 485 | G | 62.5 | Low | 55.7 | Low | 81 Ų | 81 | 117.4 Ų | 117.4 | 84% | 0.835 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 96 | -5.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | P483 | P483-G485 PolarHBondContact O-N 3.23Š|
| 486 | V | 60.5 | Low | 56.8 | Low | 61 Ų | 61 | 113.3 Ų | 113.3 | 37% | 0.37 | 67% | 0.666 | S | S | . | * | trans | -104.8 | 91.9 | 177.2 | -176.3 | 0 | 0 | 0 | 0 | 110.6 | P483 R488 | P483-V486 HydrophobicContact CG-CB 4.26Å; P483-V486 HydrophobicContact CG-CG2 4.04Å; P483-V486 PolarHBondContact O-N 2.98Å; P483-V486 VanDerWaalsContact O-N 3.13Å; V486-R488 VanDerWaalsContact C-N 3.26Å; V486-R488 WeakPolarHBondContact CG1-O 3.47Å; V486-R488 PolarHBondContact O-N 3Å | ||
| 487 | M | 59 | Low | 57 | Low | 185 Ų | 185 | 114.9 Ų | 114.9 | 91% | 0.911 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -71.7 | -14.3 | 179.9 | -66.1 | -177.8 | 72.7 | 0 | 0 | 114.6 | ||
| 488 | R | 59.8 | Low | 57.5 | Low | 192 Ų | 192 | 111.3 Ų | 111.3 | 73% | 0.725 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -163.3 | 145.6 | 172.8 | 53.8 | 179.8 | 175.3 | 164.5 | -2.2 | 110.9 | V486 | V486-R488 VanDerWaalsContact C-N 3.26Å; V486-R488 WeakPolarHBondContact CG1-O 3.47Å; V486-R488 PolarHBondContact O-N 3Å |
| 489 | L | 63.1 | Low | 58.1 | Low | 116 Ų | 116 | 113.7 Ų | 113.7 | 61% | 0.607 | 66% | 0.661 | S | S | * | * | trans | -68.3 | 154.2 | 168 | -73.3 | 163.9 | 0 | 0 | 0 | 110.4 | L482 R491 | L482-L489 HydrophobicContact CD2-CG 4.25Å; L489-R491 PolarHBondContact O-N 3.25Å | ||
| 490 | P | 56.8 | Low | 58.1 | Low | 117 Ų | 117 | 116.3 Ų | 116.3 | 76% | 0.76 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -75.4 | 19 | -178.1 | 32 | -37.4 | 0 | 0 | 0 | 114.6 | ||
| 491 | R | 56.9 | Low | 57.3 | Low | 163 Ų | 163 | 113.3 Ų | 113.3 | 62% | 0.615 | 66% | 0.66 | S | S | * | * | B | Isolated β-bridge | trans | -111.7 | 142.5 | 172.3 | -73 | -178.1 | 179.7 | -120.6 | 13.2 | 109.1 | L489 G495 T496 R497 | L489-R491 PolarHBondContact O-N 3.25Å; R491-G495 WeakPolarHBondContact CD-O 3.43Å; R491-G495 PolarHBondContact NH1-O 3.31Å; R491-T496 VanDerWaalsContact CA-O 3.31Å; R491-T496 WeakPolarHBondContact CA-O 3.45Å; R491-R497 HydrophobicContact CG-CG 4.37Å |
| 492 | G | 64.2 | Low | 56.3 | Low | 33 Ų | 33 | 115.6 Ų | 115.6 | 34% | 0.34 | 66% | 0.657 | S | S | . | * | trans | -65.9 | 168.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | D494 G495 T496 | G492-D494 PolarHBondContact O-N 3.5Å; G492-D494 VanDerWaalsContact O-N 3.15Å; G492-G495 PolarHBondContact O-N 3.3Å; G492-T496 PolarHBondContact N-O 3.45Å | ||
| 493 | P | 62.2 | Low | 55.2 | Low | 135 Ų | 135 | 118.6 Ų | 118.6 | 88% | 0.877 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | -28.7 | 175.3 | 22.9 | -32.9 | 0 | 0 | 0 | 112.9 | G495 | P493-G495 VanDerWaalsContact C-N 3.25Å; P493-G495 PolarHBondContact O-N 3.35Å |
| 494 | D | 62.3 | Low | 54.4 | Low | 143 Ų | 143 | 121.6 Ų | 121.6 | 77% | 0.765 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | 13.5 | 176.6 | -45.9 | -49.2 | 0 | 0 | 0 | 113.7 | G492 T496 | G492-D494 PolarHBondContact O-N 3.5Å; G492-D494 VanDerWaalsContact O-N 3.15Å; D494-T496 PolarHBondContact O-N 3.04Å; D494-T496 VanDerWaalsContact O-N 3.14Å |
| 495 | G | 62.8 | Low | 53.6 | Low | 30 Ų | 30 | 119 Ų | 119 | 31% | 0.309 | 68% | 0.684 | S | S | . | * | S | Bend | trans | 75 | -3.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | R491 G492 P493 | R491-G495 WeakPolarHBondContact CD-O 3.43Å; R491-G495 PolarHBondContact NH1-O 3.31Å; G492-G495 PolarHBondContact O-N 3.3Å; P493-G495 VanDerWaalsContact C-N 3.25Å; P493-G495 PolarHBondContact O-N 3.35Å |
| 496 | T | 66.3 | Low | 52.3 | Low | 75 Ų | 75 | 124.1 Ų | 124.1 | 46% | 0.46 | 69% | 0.687 | S | S | . | * | trans | -74.7 | 153.8 | 179.8 | 57.4 | 0 | 0 | 0 | 0 | 112.8 | R491 G492 D494 | R491-T496 VanDerWaalsContact CA-O 3.31Å; R491-T496 WeakPolarHBondContact CA-O 3.45Å; G492-T496 PolarHBondContact N-O 3.45Å; D494-T496 PolarHBondContact O-N 3.04Å; D494-T496 VanDerWaalsContact O-N 3.14Å | ||
| 497 | R | 48.9 | Very low | 51.1 | Low | 207 Ų | 207 | 133.8 Ų | 133.8 | 78% | 0.781 | 72% | 0.717 | S | S | * | * | B | Isolated β-bridge | trans | -100.6 | 113.1 | 179.7 | -70.8 | 176.7 | 69.8 | -166.8 | 2.6 | 111 | R491 | R491-R497 HydrophobicContact CG-CG 4.37Å |
| 498 | G | 56.9 | Low | 49.9 | Very low | 51 Ų | 51 | 127.7 Ų | 127.7 | 53% | 0.526 | 70% | 0.701 | S | S | . | * | S | Bend | trans | 87 | 163.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | H500 | G498-H500 PolarHBondContact O-CE1 3.06Å; G498-H500 PolarHBondContact O-N 3.21Å; G498-H500 PolarHBondContact O-ND1 3.25Å |
| 499 | F | 46.5 | Very low | 48.8 | Very low | 196 Ų | 196 | 128.2 Ų | 128.2 | 86% | 0.86 | 71% | 0.709 | S | S | * | * | trans | -75.9 | 120.4 | -178.1 | -69.6 | -88.7 | 0 | 0 | 0 | 111.4 | ||||
| 500 | H | 43.3 | Very low | 47.7 | Very low | 145 Ų | 145 | 129.8 Ų | 129.8 | 67% | 0.671 | 72% | 0.723 | S | S | * | * | trans | -98.2 | 109.9 | 174.2 | -61.2 | 42.9 | 0 | 0 | 0 | 107.3 | G498 V502 | G498-H500 PolarHBondContact O-CE1 3.06Å; G498-H500 PolarHBondContact O-N 3.21Å; G498-H500 PolarHBondContact O-ND1 3.25Å; H500-V502 PolarHBondContact O-N 3.17Å | ||
| 501 | G | 38.2 | Very low | 46.8 | Very low | 76 Ų | 76 | 128.8 Ų | 128.8 | 78% | 0.784 | 73% | 0.725 | S | S | * | * | trans | -70.4 | 114.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | T503 | G501-T503 PolarHBondContact O-N 3.23Å; G501-T503 VanDerWaalsContact O-N 3.1Å | ||
| 502 | V | 35.6 | Very low | 46 | Very low | 134 Ų | 134 | 126 Ų | 126 | 81% | 0.812 | 74% | 0.737 | S | S | * | * | trans | -69.1 | 106.2 | 179.5 | 178.3 | 0 | 0 | 0 | 0 | 109.6 | H500 V504 | H500-V502 PolarHBondContact O-N 3.17Å; V502-V504 PolarHBondContact O-N 3.19Å | ||
| 503 | T | 36.5 | Very low | 45.1 | Very low | 130 Ų | 130 | 130.6 Ų | 130.6 | 80% | 0.798 | 76% | 0.758 | S | S | * | * | trans | -77 | 115.2 | 165 | 48.8 | 0 | 0 | 0 | 0 | 109.1 | G501 A505 | G501-T503 PolarHBondContact O-N 3.23Å; G501-T503 VanDerWaalsContact O-N 3.1Å; T503-A505 PolarHBondContact O-N 3.43Å; T503-A505 VanDerWaalsContact O-N 3.13Å | ||
| 504 | V | 44.2 | Very low | 44 | Very low | 144 Ų | 144 | 132.6 Ų | 132.6 | 87% | 0.873 | 76% | 0.756 | S | S | * | * | trans | -70.2 | 104 | 175.2 | 177.5 | 0 | 0 | 0 | 0 | 109.7 | V502 | V502-V504 PolarHBondContact O-N 3.19Š| ||
| 505 | A | 38.9 | Very low | 43.1 | Very low | 84 Ų | 84 | 135.8 Ų | 135.8 | 69% | 0.694 | 78% | 0.781 | S | S | * | * | trans | -155.3 | 145.5 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110 | T503 | T503-A505 PolarHBondContact O-N 3.43Å; T503-A505 VanDerWaalsContact O-N 3.13Å | ||
| 506 | E | 36 | Very low | 42.1 | Very low | 189 Ų | 189 | 141.1 Ų | 141.1 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | trans | 52.1 | 89.2 | 173.9 | -65.3 | -146.8 | 93.4 | 0 | 0 | 118.5 | ||||
| 507 | R | 35 | Very low | 40.8 | Very low | 265 Ų | 265 | 144.5 Ų | 144.5 | 100% | 1 | 82% | 0.822 | S | S | * | * | trans | -96.4 | 72.6 | 150.2 | -156.5 | -180 | -162.1 | -164.5 | 5.3 | 109.6 | ||||
| 508 | G | 33 | Very low | 40.4 | Very low | 57 Ų | 57 | 141.1 Ų | 141.1 | 59% | 0.588 | 83% | 0.825 | S | S | * | * | trans | -102.1 | 109.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 509 | K | 37.3 | Very low | 39.4 | Very low | 203 Ų | 203 | 146.4 Ų | 146.4 | 88% | 0.883 | 84% | 0.842 | S | S | * | * | trans | 22.5 | 115.7 | 154.4 | -61.6 | 170.1 | 178.4 | 174.4 | 0 | 118.9 | ||||
| 510 | T | 39.8 | Very low | 39 | Very low | 149 Ų | 149 | 143.3 Ų | 143.3 | 91% | 0.914 | 84% | 0.841 | S | S | * | * | -158.4 | 141.1 | 112 | 40.7 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 511 | A | 37.8 | Very low | 38.7 | Very low | 96 Ų | 96 | 143.1 Ų | 143.1 | 79% | 0.793 | 85% | 0.853 | S | S | * | * | trans | -97.5 | 150.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 512 | A | 40.7 | Very low | 38.7 | Very low | 105 Ų | 105 | 147.9 Ų | 147.9 | 87% | 0.868 | 86% | 0.857 | S | S | * | * | trans | -145.4 | 138 | 156.6 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 513 | T | 45.8 | Very low | 39 | Very low | 128 Ų | 128 | 149 Ų | 149 | 79% | 0.785 | 86% | 0.861 | S | S | * | * | trans | -120 | 167 | -168.7 | -44.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 514 | Q | 38.9 | Very low | 39.2 | Very low | 178 Ų | 178 | 150.6 Ų | 150.6 | 83% | 0.832 | 87% | 0.866 | S | S | * | * | trans | 79.6 | 139 | 174.6 | -56.2 | 178 | -7.8 | 0 | 0 | 114.2 | ||||
| 515 | T | 42.4 | Very low | 38.7 | Very low | 209 Ų | 209 | 151.2 Ų | 151.2 | 100% | 1.282 | 87% | 0.866 | S | S | * | * | cis | -143.1 | 0 | 5.4 | -12.3 | 0 | 0 | 0 | 0 | 110.3 |
Retrieved 515 of 515 residues in 62.2 ms
(Link to these results)