| 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 | 52.3 | Low | 57.3 | Low | 249 Ų | 249 | 147 Ų | 147 | 100% | 1.227 | 86% | 0.859 | S | S | * | * | 0 | 97.7 | 0 | -76.6 | 172.2 | 166.9 | 0 | 0 | 107.3 | |||||
| 2 | A | 52 | Low | 56.7 | Low | 99 Ų | 99 | 143.3 Ų | 143.3 | 82% | 0.818 | 86% | 0.858 | S | S | * | * | trans | -106.7 | 123 | -174.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 3 | T | 66.5 | Low | 56.2 | Low | 144 Ų | 144 | 140 Ų | 140 | 88% | 0.883 | 86% | 0.856 | S | S | * | * | trans | -107.2 | 109 | 173.1 | 43.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 4 | T | 70.6 | Confident | 56.4 | Low | 139 Ų | 139 | 141.9 Ų | 141.9 | 85% | 0.853 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 133.3 | 172.5 | 40.5 | 0 | 0 | 0 | 0 | 110 | ||
| 5 | R | 67.6 | Low | 56 | Low | 244 Ų | 244 | 145.5 Ų | 145.5 | 92% | 0.921 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 120.3 | 172.2 | -75.2 | 174.7 | 89.6 | 165.6 | 4.5 | 109.2 | ||
| 6 | E | 58.3 | Low | 56.1 | Low | 187 Ų | 187 | 148.1 Ų | 148.1 | 87% | 0.874 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 128.3 | 166.4 | -107.8 | -97.1 | 107.5 | 0 | 0 | 109.8 | ||
| 7 | V | 59.9 | Low | 56.1 | Low | 133 Ų | 133 | 146.8 Ų | 146.8 | 81% | 0.806 | 85% | 0.849 | S | S | * | * | trans | -96.8 | 104.6 | 174 | 177 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 8 | S | 51.2 | Low | 56 | Low | 100 Ų | 100 | 151.8 Ų | 151.8 | 70% | 0.699 | 85% | 0.853 | S | S | * | * | trans | -25.9 | 123.2 | 164.9 | 178.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 9 | S | 51.1 | Low | 56.1 | Low | 107 Ų | 107 | 152.3 Ų | 152.3 | 75% | 0.748 | 85% | 0.848 | S | S | * | * | 48 | 98.1 | 124.4 | -155 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 10 | S | 51.3 | Low | 56.6 | Low | 123 Ų | 123 | 151.2 Ų | 151.2 | 86% | 0.86 | 85% | 0.846 | S | S | * | * | trans | -150.2 | 56.9 | 143.5 | -174.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 11 | A | 49.1 | Very low | 57.2 | Low | 92 Ų | 92 | 151.1 Ų | 151.1 | 76% | 0.76 | 84% | 0.842 | S | S | * | * | trans | -89.2 | 142.9 | 161.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 12 | A | 50.3 | Low | 58 | Low | 102 Ų | 102 | 144.9 Ų | 144.9 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | trans | 87.4 | 55.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 13 | A | 50.8 | Low | 58.9 | Low | 101 Ų | 101 | 148.7 Ų | 148.7 | 84% | 0.835 | 82% | 0.823 | S | S | * | * | trans | -138.6 | 43.5 | 147.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 14 | M | 58.4 | Low | 59.4 | Low | 167 Ų | 167 | 147.7 Ų | 147.7 | 82% | 0.823 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -112.7 | 143.2 | 159.5 | -62.6 | -143.5 | 79.9 | 0 | 0 | 105.8 | ||
| 15 | F | 50.5 | Low | 59.6 | Low | 196 Ų | 196 | 147.1 Ų | 147.1 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | S | Bend | trans | 77.6 | 60.9 | 179.2 | -84.1 | -95.4 | 0 | 0 | 0 | 118 | ||
| 16 | H | 57.5 | Low | 59.5 | Low | 187 Ų | 187 | 141.1 Ų | 141.1 | 87% | 0.866 | 81% | 0.808 | S | S | * | * | trans | -142.1 | 139.9 | 148.6 | -82.5 | 84.4 | 0 | 0 | 0 | 109.2 | ||||
| 17 | V | 56.2 | Low | 59.3 | Low | 125 Ų | 125 | 137.6 Ų | 137.6 | 76% | 0.758 | 80% | 0.804 | S | S | * | * | trans | 89 | 48.8 | 169.3 | -151.3 | 0 | 0 | 0 | 0 | 116.9 | Q19 | V17-Q19 VanDerWaalsContact C-N 3.26Å; V17-Q19 HydrophobicContact CG1-CB 4.07Å; V17-Q19 PolarHBondContact O-N 3.46Å | ||
| 18 | Y | 55.1 | Low | 59.2 | Low | 237 Ų | 237 | 137.7 Ų | 137.7 | 93% | 0.929 | 81% | 0.805 | S | S | * | * | trans | -82.3 | 83.2 | 132.4 | -82.8 | -84.8 | 0 | 0 | 0 | 106.7 | ||||
| 19 | Q | 57.5 | Low | 59.1 | Low | 162 Ų | 162 | 136.9 Ų | 136.9 | 76% | 0.757 | 81% | 0.805 | S | S | * | * | trans | -93.9 | 111.2 | 170.5 | -153.4 | -173.4 | 75.7 | 0 | 0 | 107.8 | V17 I21 | V17-Q19 VanDerWaalsContact C-N 3.26Å; V17-Q19 HydrophobicContact CG1-CB 4.07Å; V17-Q19 PolarHBondContact O-N 3.46Å; Q19-I21 PolarHBondContact O-N 3.39Å | ||
| 20 | T | 65.8 | Low | 58.9 | Low | 130 Ų | 130 | 136.6 Ų | 136.6 | 80% | 0.798 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -70 | 118.9 | 173.6 | 46.4 | 0 | 0 | 0 | 0 | 108.9 | P22 | T20-P22 WeakPolarHBondContact O-CD 3.4Š|
| 21 | I | 68.2 | Low | 58.7 | Low | 150 Ų | 150 | 135.6 Ų | 135.6 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 121.3 | 174.1 | -54.9 | 172.5 | 0 | 0 | 0 | 107.9 | Q19 | Q19-I21 PolarHBondContact O-N 3.39Š|
| 22 | P | 69.8 | Low | 58.3 | Low | 117 Ų | 117 | 135.2 Ų | 135.2 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 133.7 | 174.4 | 27.6 | -31.7 | 0 | 0 | 0 | 111.3 | T20 | T20-P22 WeakPolarHBondContact O-CD 3.4Š|
| 23 | M | 71.3 | Confident | 57.9 | Low | 179 Ų | 179 | 134.1 Ų | 134.1 | 88% | 0.882 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 138.8 | -179.9 | -61.5 | -156.1 | -69.5 | 0 | 0 | 112.3 | ||
| 24 | P | 76.2 | Confident | 57.5 | Low | 124 Ų | 124 | 133.4 Ų | 133.4 | 81% | 0.805 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 130.5 | 169.7 | 29.8 | -31.2 | 0 | 0 | 0 | 111.7 | ||
| 25 | T | 74.6 | Confident | 56.6 | Low | 126 Ų | 126 | 129.3 Ų | 129.3 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 137.1 | 173.3 | 45.5 | 0 | 0 | 0 | 0 | 111.1 | S27 | T25-S27 PolarHBondContact O-N 2.91Å; T25-S27 VanDerWaalsContact O-N 3.15Å |
| 26 | P | 66.8 | Low | 56.2 | Low | 119 Ų | 119 | 124.1 Ų | 124.1 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | -78.1 | 99.7 | 168.2 | 30 | -30.6 | 0 | 0 | 0 | 109.5 | ||||
| 27 | S | 54.2 | Low | 55.7 | Low | 112 Ų | 112 | 123.2 Ų | 123.2 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | trans | -80.9 | 109.8 | 157.8 | -173.7 | 0 | 0 | 0 | 0 | 107.7 | T25 | T25-S27 PolarHBondContact O-N 2.91Å; T25-S27 VanDerWaalsContact O-N 3.15Å | ||
| 28 | T | 57.7 | Low | 55.5 | Low | 135 Ų | 135 | 123.4 Ų | 123.4 | 83% | 0.828 | 81% | 0.807 | S | S | * | * | trans | -139.5 | 114.1 | 161.4 | -44.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 29 | A | 49.3 | Very low | 55 | Low | 83 Ų | 83 | 118 Ų | 118 | 69% | 0.686 | 80% | 0.804 | S | S | * | * | trans | -75.4 | 153.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 30 | A | 45.7 | Very low | 54.6 | Low | 101 Ų | 101 | 116.5 Ų | 116.5 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | 61.8 | 103.6 | 135.2 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 31 | A | 46.8 | Very low | 53.8 | Low | 102 Ų | 102 | 116 Ų | 116 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | 177.3 | 105.2 | 127.9 | 0 | 0 | 0 | 0 | 0 | 106.6 | |||||
| 32 | G | 42.3 | Very low | 53.2 | Low | 85 Ų | 85 | 113.4 Ų | 113.4 | 88% | 0.876 | 81% | 0.809 | S | S | * | * | 62 | 115.7 | 68.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 33 | G | 41.9 | Very low | 52.2 | Low | 79 Ų | 79 | 114.2 Ų | 114.2 | 81% | 0.814 | 81% | 0.814 | S | S | * | * | cis | 139.6 | 130.1 | 18.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 34 | G | 42.6 | Very low | 51.4 | Low | 85 Ų | 85 | 110.3 Ų | 110.3 | 88% | 0.876 | 81% | 0.81 | S | S | * | * | trans | 79.2 | 133.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 35 | G | 38.3 | Very low | 50.5 | Low | 82 Ų | 82 | 113.9 Ų | 113.9 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | cis | 89.8 | 87 | 22.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 36 | A | 41.4 | Very low | 49.8 | Very low | 87 Ų | 87 | 114.1 Ų | 114.1 | 72% | 0.719 | 82% | 0.817 | S | S | * | * | trans | 165.4 | 112.1 | 147.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 37 | M | 48.9 | Very low | 49.2 | Very low | 168 Ų | 168 | 111.5 Ų | 111.5 | 83% | 0.828 | 81% | 0.811 | S | S | * | * | trans | 55.9 | 124.1 | 130.5 | 79 | -156.6 | -129.3 | 0 | 0 | 123.7 | ||||
| 38 | V | 51.2 | Low | 49.3 | Very low | 128 Ų | 128 | 115.9 Ų | 115.9 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | trans | 67.8 | 114.3 | 139.9 | -57 | 0 | 0 | 0 | 0 | 121 | ||||
| 39 | S | 43.7 | Very low | 49.2 | Very low | 123 Ų | 123 | 119 Ų | 119 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | -150.9 | 117.9 | 128.8 | -163.5 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 40 | V | 49.6 | Very low | 49.3 | Very low | 131 Ų | 131 | 124.4 Ų | 124.4 | 79% | 0.794 | 83% | 0.829 | S | S | * | * | trans | -84.4 | 127.6 | 176 | 166.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 41 | S | 49.8 | Very low | 49.5 | Very low | 121 Ų | 121 | 123.2 Ų | 123.2 | 85% | 0.846 | 83% | 0.827 | S | S | * | * | trans | -156.5 | 138.3 | 154.1 | -83.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 42 | A | 55.6 | Low | 49.7 | Very low | 95 Ų | 95 | 121.7 Ų | 121.7 | 79% | 0.785 | 82% | 0.821 | S | S | * | * | trans | -76.6 | 173.1 | -154.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 43 | P | 47.3 | Very low | 50.6 | Low | 134 Ų | 134 | 122 Ų | 122 | 87% | 0.87 | 82% | 0.824 | S | S | * | * | trans | -93.4 | 129.6 | -151.9 | 35.6 | -31.8 | 0 | 0 | 0 | 113.5 | ||||
| 44 | A | 55.5 | Low | 51.7 | Low | 97 Ų | 97 | 127.1 Ų | 127.1 | 80% | 0.802 | 82% | 0.824 | S | S | * | * | trans | -124.3 | 113.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 45 | K | 57.4 | Low | 52.9 | Low | 198 Ų | 198 | 128.8 Ų | 128.8 | 86% | 0.861 | 81% | 0.813 | S | S | * | * | trans | 18 | 121.4 | 159.4 | -62.5 | 176.5 | -179.5 | 176.3 | 0 | 116.8 | G47 | K45-G47 VanDerWaalsContact C-N 3.3Å; K45-G47 PolarHBondContact O-N 2.76Å | ||
| 46 | P | 59.4 | Low | 54.3 | Low | 131 Ų | 131 | 136.3 Ų | 136.3 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | trans | -69.8 | 90.9 | 168.2 | 30.4 | -31.4 | 0 | 0 | 0 | 109 | K48 | P46-K48 PolarHBondContact O-N 2.78Å; P46-K48 VanDerWaalsContact O-N 3.14Å | ||
| 47 | G | 54.4 | Low | 55.9 | Low | 64 Ų | 64 | 135.6 Ų | 135.6 | 66% | 0.66 | 80% | 0.798 | S | S | * | * | trans | -61.3 | 111.8 | 162.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | K45 K49 | K45-G47 VanDerWaalsContact C-N 3.3Å; K45-G47 PolarHBondContact O-N 2.76Å; G47-K49 VanDerWaalsContact C-N 3.33Å; G47-K49 PolarHBondContact O-N 2.88Å | ||
| 48 | K | 55.5 | Low | 56.9 | Low | 205 Ų | 205 | 130.9 Ų | 130.9 | 89% | 0.891 | 78% | 0.781 | S | S | * | * | trans | -56.6 | 96.6 | 171.6 | -78.3 | 176.1 | 174.8 | 177.1 | 0 | 108.2 | P46 E50 | P46-K48 PolarHBondContact O-N 2.78Å; P46-K48 VanDerWaalsContact O-N 3.14Å; K48-E50 VanDerWaalsContact C-N 3.28Å; K48-E50 PolarHBondContact O-N 3.2Å | ||
| 49 | K | 55.8 | Low | 58.3 | Low | 201 Ų | 201 | 132 Ų | 132 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | trans | -70.3 | 91.5 | 165.9 | -74.7 | -175.8 | 179.2 | 177.3 | 0 | 107.5 | G47 G51 | G47-K49 VanDerWaalsContact C-N 3.33Å; G47-K49 PolarHBondContact O-N 2.88Å; K49-G51 PolarHBondContact O-N 2.72Å; K49-G51 VanDerWaalsContact O-N 3.14Å | ||
| 50 | E | 52.9 | Low | 59.6 | Low | 195 Ų | 195 | 128.8 Ų | 128.8 | 91% | 0.911 | 75% | 0.75 | S | S | * | * | trans | -53.7 | 109.5 | 149.2 | -75.7 | 178.1 | 151.5 | 0 | 0 | 107.1 | K48 | K48-E50 VanDerWaalsContact C-N 3.28Å; K48-E50 PolarHBondContact O-N 3.2Å | ||
| 51 | G | 49.1 | Very low | 60.3 | Low | 76 Ų | 76 | 129.6 Ų | 129.6 | 78% | 0.784 | 75% | 0.75 | S | S | * | * | trans | 178.4 | 91.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | K49 | K49-G51 PolarHBondContact O-N 2.72Å; K49-G51 VanDerWaalsContact O-N 3.14Å | ||
| 52 | G | 51.5 | Low | 61.6 | Low | 70 Ų | 70 | 126.5 Ų | 126.5 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | trans | 107.2 | 42.4 | 151.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | K54 | G52-K54 PolarHBondContact O-N 2.66Š| ||
| 53 | G | 59.8 | Low | 62.6 | Low | 91 Ų | 91 | 129.4 Ų | 129.4 | 94% | 0.938 | 73% | 0.729 | S | S | * | * | trans | -71.1 | 39.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 54 | K | 66.7 | Low | 64.2 | Low | 187 Ų | 187 | 124.9 Ų | 124.9 | 81% | 0.813 | 71% | 0.706 | S | S | * | * | trans | -96.3 | 106.7 | 171.8 | -102.7 | 166.6 | 177.6 | 170.5 | 0 | 108.4 | G52 R56 | G52-K54 PolarHBondContact O-N 2.66Å; K54-R56 PolarHBondContact O-N 3.16Å; K54-R56 VanDerWaalsContact O-N 3.07Å | ||
| 55 | D | 67.1 | Low | 65.5 | Low | 120 Ų | 120 | 128.2 Ų | 128.2 | 64% | 0.642 | 70% | 0.698 | S | S | * | * | trans | -32.9 | 108.5 | 167.4 | -168.6 | 55.3 | 0 | 0 | 0 | 111.7 | H57 | D55-H57 PolarHBondContact O-N 2.64Å; D55-H57 VanDerWaalsContact O-N 3.15Å; D55-H57 IonicContact OD1-CE1 3.7Å; D55-H57 PolarHBondContact OD1-CE1 3.37Å; D55-H57 IonicContact OD1-CG 2.65Å; D55-H57 IonicContact OD1-ND1 3.01Å; D55-H57 PolarHBondContact OD1-ND1 2.99Å; D55-H57 IonicContact OD2-CE1 3.27Å; D55-H57 IonicContact OD2-CG 2.81Å; D55-H57 IonicContact OD2-ND1 3.91Å; D55-H57 PolarHBondContact OD2-ND1 3.38Å | ||
| 56 | R | 66.9 | Low | 67 | Low | 240 Ų | 240 | 127.3 Ų | 127.3 | 91% | 0.906 | 69% | 0.689 | S | S | * | * | trans | -78.8 | 13.8 | -175.5 | -64.2 | -174.7 | -180 | -177.4 | -0.2 | 113.2 | K54 S58 | K54-R56 PolarHBondContact O-N 3.16Å; K54-R56 VanDerWaalsContact O-N 3.07Å; R56-S58 PolarHBondContact O-N 3.34Å | ||
| 57 | H | 75.2 | Confident | 68.4 | Low | 73 Ų | 73 | 126.9 Ų | 126.9 | 34% | 0.338 | 68% | 0.684 | S | S | . | * | trans | -71.9 | 103.9 | 174.4 | -57.7 | 100.2 | 0 | 0 | 0 | 107.8 | D55 K59 R66 | D55-H57 PolarHBondContact O-N 2.64Å; D55-H57 VanDerWaalsContact O-N 3.15Å; D55-H57 IonicContact OD1-CE1 3.7Å; D55-H57 PolarHBondContact OD1-CE1 3.37Å; D55-H57 IonicContact OD1-CG 2.65Å; D55-H57 IonicContact OD1-ND1 3.01Å; D55-H57 PolarHBondContact OD1-ND1 2.99Å; D55-H57 IonicContact OD2-CE1 3.27Å; D55-H57 IonicContact OD2-CG 2.81Å; D55-H57 IonicContact OD2-ND1 3.91Å; D55-H57 PolarHBondContact OD2-ND1 3.38Å; H57-K59 PolarHBondContact O-N 3.35Å; H57-R66 WeakPolarHBondContact CD2-CD 3.31Å; H57-R66 PolarHBondContact CE1-NH1 2.88Å; H57-R66 PolarHBondContact NE2-NH1 3.03Å | ||
| 58 | S | 70.6 | Confident | 70.2 | Confident | 68 Ų | 68 | 135.3 Ų | 135.3 | 48% | 0.476 | 70% | 0.696 | S | S | . | * | P | Polyproline II helix | trans | -56.5 | 116.7 | 174.6 | 62.3 | 0 | 0 | 0 | 0 | 108 | R56 V60 R65 | R56-S58 PolarHBondContact O-N 3.34Å; S58-V60 PolarHBondContact O-N 3.48Å; S58-R65 PolarHBondContact O-NE 2.89Å; S58-R65 PolarHBondContact OG-NE 3.2Å |
| 59 | K | 81.1 | Confident | 71.9 | Confident | 151 Ų | 151 | 130.1 Ų | 130.1 | 66% | 0.657 | 68% | 0.676 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -75.3 | 117.4 | 178.7 | -160.4 | 161.9 | -177.6 | 156.6 | 0 | 106.4 | H57 G62 R63 | H57-K59 PolarHBondContact O-N 3.35Å; K59-G62 WeakPolarHBondContact CE-O 3.05Å; K59-G62 VanDerWaalsContact CG-C 3.44Å; K59-R63 CarbonylContact C-O 3.51Å; K59-R63 WeakPolarHBondContact CA-O 3.33Å |
| 60 | V | 70 | Confident | 73.9 | Confident | 56 Ų | 56 | 124.5 Ų | 124.5 | 34% | 0.339 | 66% | 0.66 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.2 | 124.8 | 173.6 | 62.2 | 0 | 0 | 0 | 0 | 107.5 | S58 G62 R63 R65 | S58-V60 PolarHBondContact O-N 3.48Å; V60-G62 PolarHBondContact O-N 3.06Å; V60-R63 PolarHBondContact N-O 2.8Å; V60-R63 WeakPolarHBondContact O-CA 3.1Å; V60-R63 PolarHBondContact O-N 3.39Å; V60-R65 HydrophobicContact CB-CG 4.15Å; V60-R65 HydrophobicContact CG1-CG 3.61Å |
| 61 | N | 64.1 | Low | 75.9 | Confident | 148 Ų | 148 | 122.4 Ų | 122.4 | 79% | 0.791 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 47.7 | 37.3 | -178 | -64.3 | -20.7 | 0 | 0 | 0 | 114.9 | R63 | N61-R63 VanDerWaalsContact C-N 3.29Å; N61-R63 PolarHBondContact O-N 3.2Å |
| 62 | G | 77 | Confident | 78.2 | Confident | 57 Ų | 57 | 124.4 Ų | 124.4 | 59% | 0.588 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.3 | 15.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | K59 V60 | K59-G62 WeakPolarHBondContact CE-O 3.05Å; K59-G62 VanDerWaalsContact CG-C 3.44Å; V60-G62 PolarHBondContact O-N 3.06Å |
| 63 | R | 77.2 | Confident | 80.3 | Confident | 156 Ų | 156 | 123.9 Ų | 123.9 | 59% | 0.589 | 64% | 0.635 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -130.6 | 147.4 | 174.7 | -172.8 | 177 | 173.1 | 106.3 | -3.5 | 111.8 | K59 V60 N61 F117 | K59-R63 CarbonylContact C-O 3.51Å; K59-R63 WeakPolarHBondContact CA-O 3.33Å; V60-R63 PolarHBondContact N-O 2.8Å; V60-R63 WeakPolarHBondContact O-CA 3.1Å; V60-R63 PolarHBondContact O-N 3.39Å; N61-R63 VanDerWaalsContact C-N 3.29Å; N61-R63 PolarHBondContact O-N 3.2Å; R63-F117 HydrophobicContact CB-CZ 4.48Å |
| 64 | G | 80.3 | Confident | 82.1 | Confident | 39 Ų | 39 | 120.5 Ų | 120.5 | 40% | 0.402 | 60% | 0.598 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -68.8 | 146.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | R66 | G64-R66 PolarHBondContact O-N 3.32Å |
| 65 | R | 84.3 | Confident | 83.5 | Confident | 166 Ų | 166 | 114.2 Ų | 114.2 | 63% | 0.626 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -77.1 | -3.4 | 175.6 | -62 | 174.2 | -174.6 | -110.9 | 0.2 | 114.1 | S58 V60 | S58-R65 PolarHBondContact O-NE 2.89Å; S58-R65 PolarHBondContact OG-NE 3.2Å; V60-R65 HydrophobicContact CB-CG 4.15Å; V60-R65 HydrophobicContact CG1-CG 3.61Å |
| 66 | R | 88.4 | Confident | 84.9 | Confident | 180 Ų | 180 | 117 Ų | 117 | 68% | 0.679 | 58% | 0.582 | S | S | * | * | trans | -95 | 133.6 | -174.5 | -54.9 | 174.2 | 91.1 | 176.5 | -2 | 110.3 | H57 G64 | H57-R66 WeakPolarHBondContact CD2-CD 3.31Å; H57-R66 PolarHBondContact CE1-NH1 2.88Å; H57-R66 PolarHBondContact NE2-NH1 3.03Å; G64-R66 PolarHBondContact O-N 3.32Å | ||
| 67 | V | 88.4 | Confident | 86.3 | Confident | 121 Ų | 121 | 106.4 Ų | 106.4 | 73% | 0.733 | 54% | 0.544 | S | S | * | . | trans | -108.8 | 134.3 | 172.4 | -179.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 68 | R | 93.5 | Very high | 87.2 | Confident | 242 Ų | 242 | 107.6 Ų | 107.6 | 91% | 0.913 | 55% | 0.549 | S | S | * | . | trans | -89.4 | 120 | 172.8 | -69.4 | -179.8 | 175.5 | -101.4 | 2.5 | 108.2 | ||||
| 69 | M | 90.8 | Very high | 88.5 | Confident | 96 Ų | 96 | 109.8 Ų | 109.8 | 47% | 0.473 | 55% | 0.551 | S | S | . | * | trans | -105.3 | 134.9 | -175 | -168.7 | 62.1 | 72.8 | 0 | 0 | 110.6 | C73 A74 | M69-C73 HydrophobicContact CG-CB 3.59Å; M69-C73 HydrophobicContact SD-CB 3.4Å; M69-C73 WeakPolarHBondContact SD-CB 3.38Å; M69-A74 HydrophobicContact CB-CB 4.47Å; M69-A74 HydrophobicContact CG-CB 4.16Å | ||
| 70 | P | 96.5 | Very high | 89.2 | Confident | 82 Ų | 82 | 104.6 Ų | 104.6 | 53% | 0.532 | 53% | 0.53 | S | S | . | . | trans | -57.4 | 150.3 | 168.8 | -23.5 | 34.3 | 0 | 0 | 0 | 111.6 | V72 C73 A74 | P70-V72 VanDerWaalsContact C-N 3.3Å; P70-V72 PolarHBondContact O-N 3.41Å; P70-C73 PolarHBondContact O-N 2.82Å; P70-C73 VanDerWaalsContact O-N 3.14Å; P70-A74 PolarHBondContact O-N 3.03Å | ||
| 71 | I | 96.5 | Very high | 90.5 | Very high | 151 Ų | 151 | 102.6 Ų | 102.6 | 77% | 0.774 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -56.4 | -44.5 | -174.1 | -58.4 | 171.2 | 0 | 0 | 0 | 111.3 | C73 A74 A75 | I71-C73 PolarHBondContact O-N 3.04Å; I71-A74 PolarHBondContact O-N 2.66Å; I71-A75 PolarHBondContact O-N 2.99Å |
| 72 | V | 96.8 | Very high | 92 | Very high | 119 Ų | 119 | 105.7 Ų | 105.7 | 72% | 0.721 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.5 | -43.3 | -179.1 | -178.7 | 0 | 0 | 0 | 0 | 111.7 | P70 A75 R76 | P70-V72 VanDerWaalsContact C-N 3.3Å; P70-V72 PolarHBondContact O-N 3.41Å; V72-A75 PolarHBondContact O-N 3.34Å; V72-R76 PolarHBondContact O-N 2.82Å |
| 73 | C | 96.2 | Very high | 92.9 | Very high | 59 Ų | 59 | 109 Ų | 109 | 40% | 0.399 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.2 | -42.7 | 178.7 | -60.6 | 0 | 0 | 0 | 0 | 111.1 | M69 P70 I71 A75 R76 V77 | M69-C73 HydrophobicContact CG-CB 3.59Å; M69-C73 HydrophobicContact SD-CB 3.4Å; M69-C73 WeakPolarHBondContact SD-CB 3.38Å; P70-C73 PolarHBondContact O-N 2.82Å; P70-C73 VanDerWaalsContact O-N 3.14Å; I71-C73 PolarHBondContact O-N 3.04Å; C73-A75 VanDerWaalsContact C-N 3.32Å; C73-A75 PolarHBondContact O-N 2.99Å; C73-R76 PolarHBondContact O-N 3.42Å; C73-V77 WeakPolarHBondContact O-CG2 3.33Å; C73-V77 PolarHBondContact O-N 3.33Å |
| 74 | A | 95.8 | Very high | 93.7 | Very high | 20 Ų | 20 | 104.5 Ų | 104.5 | 17% | 0.165 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -61 | -41.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | M69 P70 I71 R76 V77 F78 | M69-A74 HydrophobicContact CB-CB 4.47Å; M69-A74 HydrophobicContact CG-CB 4.16Å; P70-A74 PolarHBondContact O-N 3.03Å; I71-A74 PolarHBondContact O-N 2.66Å; A74-R76 VanDerWaalsContact C-N 3.32Å; A74-R76 PolarHBondContact O-N 3.42Å; A74-V77 PolarHBondContact O-N 3.01Å; A74-V77 VanDerWaalsContact O-N 3.14Å; A74-F78 HydrophobicContact CB-CD2 4.47Å; A74-F78 HydrophobicContact CB-CE2 3.93Å; A74-F78 HydrophobicContact CB-CZ 4.34Å; A74-F78 WeakPolarHBondContact O-CD2 3.47Å; A74-F78 VanDerWaalsContact O-CG 3.25Å; A74-F78 WeakPolarHBondContact O-CG 3.49Å; A74-F78 PolarHBondContact O-N 3.39Å |
| 75 | A | 96.5 | Very high | 94.4 | Very high | 54 Ų | 54 | 105.6 Ų | 105.6 | 45% | 0.446 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -57 | -45.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I71 V72 C73 V77 F78 Q79 | I71-A75 PolarHBondContact O-N 2.99Å; V72-A75 PolarHBondContact O-N 3.34Å; C73-A75 VanDerWaalsContact C-N 3.32Å; C73-A75 PolarHBondContact O-N 2.99Å; A75-V77 PolarHBondContact O-N 3.25Å; A75-F78 PolarHBondContact O-N 2.91Å; A75-Q79 WeakPolarHBondContact O-CB 3.47Å; A75-Q79 PolarHBondContact O-N 3.22Å |
| 76 | R | 96.4 | Very high | 94.8 | Very high | 179 Ų | 179 | 100 Ų | 100 | 68% | 0.675 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.6 | -39.3 | 176.4 | -171.8 | 175.6 | -76.4 | 176.6 | -3.9 | 112.1 | V72 C73 A74 Q79 L80 | V72-R76 PolarHBondContact O-N 2.82Å; C73-R76 PolarHBondContact O-N 3.42Å; A74-R76 VanDerWaalsContact C-N 3.32Å; A74-R76 PolarHBondContact O-N 3.42Å; R76-Q79 PolarHBondContact O-N 2.9Å; R76-L80 HydrophobicContact CG-CD1 4.3Å; R76-L80 WeakPolarHBondContact O-CG 3.31Å; R76-L80 PolarHBondContact O-N 3.42Å |
| 77 | V | 96.4 | Very high | 95.1 | Very high | 18 Ų | 18 | 100 Ų | 100 | 11% | 0.109 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -65.6 | -42.9 | 175.9 | 175 | 0 | 0 | 0 | 0 | 111.3 | C73 A74 A75 Q79 L80 T81 D89 T92 I93 | C73-V77 WeakPolarHBondContact O-CG2 3.33Å; C73-V77 PolarHBondContact O-N 3.33Å; A74-V77 PolarHBondContact O-N 3.01Å; A74-V77 VanDerWaalsContact O-N 3.14Å; A75-V77 PolarHBondContact O-N 3.25Å; V77-Q79 VanDerWaalsContact C-N 3.28Å; V77-Q79 PolarHBondContact O-N 2.97Å; V77-L80 PolarHBondContact O-N 3.4Å; V77-T81 WeakPolarHBondContact O-CB 3.41Å; V77-T81 PolarHBondContact O-N 2.85Å; V77-T81 PolarHBondContact O-OG1 3.19Å; V77-D89 HydrophobicContact CG1-CB 4.18Å; V77-T92 HydrophobicContact CG1-CG2 4.17Å; V77-I93 HydrophobicContact CG1-CD1 4.03Å; V77-I93 HydrophobicContact CG1-CG1 4.49Å; V77-I93 HydrophobicContact CG2-CD1 3.85Å |
| 78 | F | 95.6 | Very high | 95.3 | Very high | 98 Ų | 98 | 96.7 Ų | 96.7 | 43% | 0.43 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.8 | -36.3 | 176.8 | -63.8 | -41 | 0 | 0 | 0 | 112.2 | A74 A75 R82 D89 | A74-F78 HydrophobicContact CB-CD2 4.47Å; A74-F78 HydrophobicContact CB-CE2 3.93Å; A74-F78 HydrophobicContact CB-CZ 4.34Å; A74-F78 WeakPolarHBondContact O-CD2 3.47Å; A74-F78 VanDerWaalsContact O-CG 3.25Å; A74-F78 WeakPolarHBondContact O-CG 3.49Å; A74-F78 PolarHBondContact O-N 3.39Å; A75-F78 PolarHBondContact O-N 2.91Å; F78-R82 WeakPolarHBondContact O-CG 3.37Å; F78-R82 PolarHBondContact O-N 2.79Å; F78-D89 VanDerWaalsContact CD1-OD1 3.3Å; F78-D89 WeakPolarHBondContact CD1-OD1 3.42Å; F78-D89 WeakPolarHBondContact CE1-OD1 3.47Å; F78-D89 WeakPolarHBondContact CE1-OD2 3.41Å |
| 79 | Q | 96.8 | Very high | 95.3 | Very high | 114 Ų | 114 | 88.5 Ų | 88.5 | 53% | 0.533 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.8 | -53.9 | 173.2 | 179.2 | 173.5 | 1.9 | 0 | 0 | 111.1 | A75 R76 V77 T81 R82 E83 | A75-Q79 WeakPolarHBondContact O-CB 3.47Å; A75-Q79 PolarHBondContact O-N 3.22Å; R76-Q79 PolarHBondContact O-N 2.9Å; V77-Q79 VanDerWaalsContact C-N 3.28Å; V77-Q79 PolarHBondContact O-N 2.97Å; Q79-T81 PolarHBondContact O-N 3.35Å; Q79-R82 WeakPolarHBondContact O-CB 3.5Å; Q79-R82 PolarHBondContact O-N 2.88Å; Q79-E83 WeakPolarHBondContact CG-OE1 3.31Å; Q79-E83 PolarHBondContact NE2-OE1 3.15Å; Q79-E83 PolarHBondContact O-N 3.47Å |
| 80 | L | 96.6 | Very high | 95.5 | Very high | 41 Ų | 41 | 86.4 Ų | 86.4 | 22% | 0.215 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -57.9 | -36.7 | 178.2 | -74.9 | 168.7 | 0 | 0 | 0 | 112.5 | R76 V77 R82 E83 L84 T92 L96 | R76-L80 HydrophobicContact CG-CD1 4.3Å; R76-L80 WeakPolarHBondContact O-CG 3.31Å; R76-L80 PolarHBondContact O-N 3.42Å; V77-L80 PolarHBondContact O-N 3.4Å; L80-R82 VanDerWaalsContact C-N 3.26Å; L80-R82 PolarHBondContact O-N 3.11Å; L80-E83 PolarHBondContact O-N 2.8Å; L80-L84 WeakPolarHBondContact O-CB 3.3Å; L80-L84 VanDerWaalsContact O-CG 3.32Å; L80-L84 WeakPolarHBondContact O-CG 3.3Å; L80-L84 PolarHBondContact O-N 3.22Å; L80-T92 HydrophobicContact CB-CG2 3.99Å; L80-L96 HydrophobicContact CD1-CD1 4.35Å; L80-L96 HydrophobicContact CD1-CD2 4.33Å |
| 81 | T | 96 | Very high | 95.4 | Very high | 14 Ų | 14 | 85.8 Ų | 85.8 | 9% | 0.086 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -59.1 | -40.4 | 177.1 | -57.3 | 0 | 0 | 0 | 0 | 111.3 | V77 Q79 G85 L86 T92 | V77-T81 WeakPolarHBondContact O-CB 3.41Å; V77-T81 PolarHBondContact O-N 2.85Å; V77-T81 PolarHBondContact O-OG1 3.19Å; Q79-T81 PolarHBondContact O-N 3.35Å; T81-G85 PolarHBondContact O-N 2.98Å; T81-L86 HydrophobicContact CG2-CB 4.46Å; T81-L86 VanDerWaalsContact CG2-O 3.23Å; T81-L86 WeakPolarHBondContact CG2-O 3.43Å; T81-L86 PolarHBondContact O-N 3.38Å; T81-T92 WeakPolarHBondContact CA-OG1 3.34Å; T81-T92 WeakPolarHBondContact CB-OG1 3.47Å; T81-T92 WeakPolarHBondContact CG2-OG1 3.39Å; T81-T92 WeakPolarHBondContact OG1-CB 3.25Å; T81-T92 PolarHBondContact OG1-OG1 2.84Å |
| 82 | R | 95.5 | Very high | 95.4 | Very high | 214 Ų | 214 | 78.6 Ų | 78.6 | 81% | 0.808 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -71.4 | -39.4 | 176.2 | -64.1 | 172 | -174.4 | -173.6 | 1.3 | 111.9 | F78 Q79 L80 G85 | F78-R82 WeakPolarHBondContact O-CG 3.37Å; F78-R82 PolarHBondContact O-N 2.79Å; Q79-R82 WeakPolarHBondContact O-CB 3.5Å; Q79-R82 PolarHBondContact O-N 2.88Å; L80-R82 VanDerWaalsContact C-N 3.26Å; L80-R82 PolarHBondContact O-N 3.11Å; R82-G85 PolarHBondContact O-N 3.46Å |
| 83 | E | 95.8 | Very high | 95.3 | Very high | 125 Ų | 125 | 75.9 Ų | 75.9 | 58% | 0.584 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -69 | -37.2 | -179.3 | -68.5 | 174.2 | -172.3 | 0 | 0 | 112.6 | Q79 L80 | Q79-E83 WeakPolarHBondContact CG-OE1 3.31Å; Q79-E83 PolarHBondContact NE2-OE1 3.15Å; Q79-E83 PolarHBondContact O-N 3.47Å; L80-E83 PolarHBondContact O-N 2.8Å |
| 84 | L | 94.4 | Very high | 95.2 | Very high | 62 Ų | 62 | 77.5 Ų | 77.5 | 33% | 0.325 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -82.5 | -12.7 | 178.7 | -64.2 | 170.8 | 0 | 0 | 0 | 113.7 | L80 L86 T92 W95 | L80-L84 WeakPolarHBondContact O-CB 3.3Å; L80-L84 VanDerWaalsContact O-CG 3.32Å; L80-L84 WeakPolarHBondContact O-CG 3.3Å; L80-L84 PolarHBondContact O-N 3.22Å; L84-L86 VanDerWaalsContact C-N 3.27Å; L84-L86 HydrophobicContact CB-CD1 3.98Å; L84-L86 HydrophobicContact CB-CG 3.86Å; L84-L86 HydrophobicContact CD1-CD1 3.84Å; L84-L86 PolarHBondContact O-N 3.05Å; L84-T92 HydrophobicContact CD1-CG2 4.25Å; L84-W95 HydrophobicContact CD1-CD2 3.61Å; L84-W95 HydrophobicContact CD1-CE3 3.43Å; L84-W95 VanDerWaalsContact CD1-CE3 3.43Å; L84-W95 HydrophobicContact CD1-CG 4.18Å; L84-W95 HydrophobicContact CD1-CH2 4.2Å; L84-W95 HydrophobicContact CD1-CZ2 4.34Å; L84-W95 HydrophobicContact CD1-CZ3 3.75Å; L84-W95 HydrophobicContact CD2-CD2 4.33Å; L84-W95 HydrophobicContact CD2-CH2 3.91Å; L84-W95 HydrophobicContact CD2-CZ2 3.68Å; L84-W95 HydrophobicContact CD2-CZ3 4.31Å |
| 85 | G | 94.4 | Very high | 95.2 | Very high | 62 Ų | 62 | 81 Ų | 81 | 64% | 0.639 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.4 | 22.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | T81 R82 | T81-G85 PolarHBondContact O-N 2.98Å; R82-G85 PolarHBondContact O-N 3.46Å |
| 86 | L | 94.4 | Very high | 95.2 | Very high | 50 Ų | 50 | 81.3 Ų | 81.3 | 26% | 0.262 | 40% | 0.403 | S | S | . | . | trans | -81.2 | 146.4 | 177.6 | -63.3 | 174 | 0 | 0 | 0 | 110.3 | T81 L84 Q91 W95 | T81-L86 HydrophobicContact CG2-CB 4.46Å; T81-L86 VanDerWaalsContact CG2-O 3.23Å; T81-L86 WeakPolarHBondContact CG2-O 3.43Å; T81-L86 PolarHBondContact O-N 3.38Å; L84-L86 VanDerWaalsContact C-N 3.27Å; L84-L86 HydrophobicContact CB-CD1 3.98Å; L84-L86 HydrophobicContact CB-CG 3.86Å; L84-L86 HydrophobicContact CD1-CD1 3.84Å; L84-L86 PolarHBondContact O-N 3.05Å; L86-Q91 HydrophobicContact CB-CB 4.27Å; L86-Q91 HydrophobicContact CD1-CB 4.35Å; L86-Q91 HydrophobicContact CD2-CB 4.43Å; L86-W95 HydrophobicContact CD1-CB 3.98Å; L86-W95 HydrophobicContact CD1-CG 4.38Å | ||
| 87 | K | 93.9 | Very high | 95 | Very high | 180 Ų | 180 | 77.6 Ų | 77.6 | 78% | 0.783 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -84.1 | -16.6 | -171.9 | -67.6 | 119.5 | 66.2 | 173.3 | 0 | 113.9 | ||
| 88 | S | 93.5 | Very high | 94.8 | Very high | 51 Ų | 51 | 83.4 Ų | 83.4 | 36% | 0.357 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -150 | 150.3 | -174.8 | 68.3 | 0 | 0 | 0 | 0 | 111.6 | G90 Q91 T92 | S88-G90 PolarHBondContact O-N 3.15Å; S88-Q91 WeakPolarHBondContact O-CB 2.7Å; S88-Q91 PolarHBondContact O-N 3.3Å; S88-Q91 WeakPolarHBondContact OG-CG 3.23Å; S88-Q91 PolarHBondContact OG-N 2.98Å; S88-T92 PolarHBondContact O-N 2.9Å; S88-T92 PolarHBondContact O-OG1 3.28Å |
| 89 | D | 93.7 | Very high | 94.6 | Very high | 69 Ų | 69 | 84.5 Ų | 84.5 | 37% | 0.369 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.6 | -33.5 | 178.8 | -40.6 | -42.8 | 0 | 0 | 0 | 111.7 | V77 F78 Q91 T92 I93 | V77-D89 HydrophobicContact CG1-CB 4.18Å; F78-D89 VanDerWaalsContact CD1-OD1 3.3Å; F78-D89 WeakPolarHBondContact CD1-OD1 3.42Å; F78-D89 WeakPolarHBondContact CE1-OD1 3.47Å; F78-D89 WeakPolarHBondContact CE1-OD2 3.41Å; D89-Q91 VanDerWaalsContact C-N 3.29Å; D89-Q91 PolarHBondContact O-N 3.5Å; D89-T92 WeakPolarHBondContact O-CB 3.11Å; D89-T92 PolarHBondContact O-N 3.41Å; D89-T92 VanDerWaalsContact O-N 3.13Å; D89-I93 WeakPolarHBondContact O-CG1 3.4Å; D89-I93 PolarHBondContact O-N 3.46Å |
| 90 | G | 93.3 | Very high | 94.4 | Very high | 52 Ų | 52 | 80.7 Ų | 80.7 | 54% | 0.536 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.1 | -40.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S88 I93 E94 | S88-G90 PolarHBondContact O-N 3.15Å; G90-I93 PolarHBondContact O-N 2.68Å; G90-E94 WeakPolarHBondContact O-CB 3.04Å; G90-E94 PolarHBondContact O-N 3.07Å |
| 91 | Q | 95.1 | Very high | 94.1 | Very high | 69 Ų | 69 | 83.6 Ų | 83.6 | 32% | 0.322 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -68.6 | -38.8 | 174.3 | -72 | 178.3 | -16.3 | 0 | 0 | 111.7 | L86 S88 D89 E94 W95 | L86-Q91 HydrophobicContact CB-CB 4.27Å; L86-Q91 HydrophobicContact CD1-CB 4.35Å; L86-Q91 HydrophobicContact CD2-CB 4.43Å; S88-Q91 WeakPolarHBondContact O-CB 2.7Å; S88-Q91 PolarHBondContact O-N 3.3Å; S88-Q91 WeakPolarHBondContact OG-CG 3.23Å; S88-Q91 PolarHBondContact OG-N 2.98Å; D89-Q91 VanDerWaalsContact C-N 3.29Å; D89-Q91 PolarHBondContact O-N 3.5Å; Q91-E94 PolarHBondContact O-N 2.91Å; Q91-W95 WeakPolarHBondContact O-CB 3.33Å; Q91-W95 PolarHBondContact O-N 2.87Å |
| 92 | T | 96.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 87.3 Ų | 87.3 | 0% | 0 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 176.3 | -54.3 | 0 | 0 | 0 | 0 | 111.6 | V77 L80 T81 L84 S88 D89 W95 L96 | V77-T92 HydrophobicContact CG1-CG2 4.17Å; L80-T92 HydrophobicContact CB-CG2 3.99Å; T81-T92 WeakPolarHBondContact CA-OG1 3.34Å; T81-T92 WeakPolarHBondContact CB-OG1 3.47Å; T81-T92 WeakPolarHBondContact CG2-OG1 3.39Å; T81-T92 WeakPolarHBondContact OG1-CB 3.25Å; T81-T92 PolarHBondContact OG1-OG1 2.84Å; L84-T92 HydrophobicContact CD1-CG2 4.25Å; S88-T92 PolarHBondContact O-N 2.9Å; S88-T92 PolarHBondContact O-OG1 3.28Å; D89-T92 WeakPolarHBondContact O-CB 3.11Å; D89-T92 PolarHBondContact O-N 3.41Å; D89-T92 VanDerWaalsContact O-N 3.13Å; T92-W95 PolarHBondContact O-N 3.13Å; T92-L96 HydrophobicContact CG2-CD1 4.48Å; T92-L96 WeakPolarHBondContact O-CB 3.42Å; T92-L96 WeakPolarHBondContact O-CG 3.42Å; T92-L96 PolarHBondContact O-N 3.2Å |
| 93 | I | 94.4 | Very high | 93.4 | Very high | 63 Ų | 63 | 81 Ų | 81 | 32% | 0.323 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.2 | -42.3 | 174.5 | -62.5 | -57.5 | 0 | 0 | 0 | 111 | V77 D89 G90 W95 L96 L97 | V77-I93 HydrophobicContact CG1-CD1 4.03Å; V77-I93 HydrophobicContact CG1-CG1 4.49Å; V77-I93 HydrophobicContact CG2-CD1 3.85Å; D89-I93 WeakPolarHBondContact O-CG1 3.4Å; D89-I93 PolarHBondContact O-N 3.46Å; G90-I93 PolarHBondContact O-N 2.68Å; I93-W95 VanDerWaalsContact C-N 3.32Å; I93-W95 PolarHBondContact O-N 3.47Å; I93-L96 HydrophobicContact CD1-CD1 4.19Å; I93-L96 PolarHBondContact O-N 2.98Å; I93-L97 HydrophobicContact CG2-CD1 4.15Å; I93-L97 HydrophobicContact CG2-CG 4.4Å; I93-L97 WeakPolarHBondContact O-CG 3.36Å; I93-L97 PolarHBondContact O-N 2.81Å |
| 94 | E | 93.7 | Very high | 92.9 | Very high | 92 Ų | 92 | 77.6 Ų | 77.6 | 43% | 0.43 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -59.5 | -44.2 | 174.9 | -175.2 | -178.3 | 168.7 | 0 | 0 | 111.6 | G90 Q91 L97 R98 | G90-E94 WeakPolarHBondContact O-CB 3.04Å; G90-E94 PolarHBondContact O-N 3.07Å; Q91-E94 PolarHBondContact O-N 2.91Å; E94-L97 PolarHBondContact O-N 3.2Å; E94-R98 WeakPolarHBondContact O-CG 3.4Å; E94-R98 PolarHBondContact O-N 3.44Å; E94-R98 IonicContact OE1-CZ 3.54Å; E94-R98 VanDerWaalsContact OE1-CZ 3.27Å; E94-R98 IonicContact OE1-NE 3.91Å; E94-R98 IonicContact OE1-NH2 2.66Å; E94-R98 PolarHBondContact OE1-NH2 3.24Å |
| 95 | W | 96 | Very high | 92.5 | Very high | 95 Ų | 95 | 78 Ų | 78 | 36% | 0.36 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.1 | -46.2 | 175.1 | 179 | 91.4 | 0 | 0 | 0 | 111.8 | L84 L86 Q91 T92 I93 L97 R98 Q99 | L84-W95 HydrophobicContact CD1-CD2 3.61Å; L84-W95 HydrophobicContact CD1-CE3 3.43Å; L84-W95 VanDerWaalsContact CD1-CE3 3.43Å; L84-W95 HydrophobicContact CD1-CG 4.18Å; L84-W95 HydrophobicContact CD1-CH2 4.2Å; L84-W95 HydrophobicContact CD1-CZ2 4.34Å; L84-W95 HydrophobicContact CD1-CZ3 3.75Å; L84-W95 HydrophobicContact CD2-CD2 4.33Å; L84-W95 HydrophobicContact CD2-CH2 3.91Å; L84-W95 HydrophobicContact CD2-CZ2 3.68Å; L84-W95 HydrophobicContact CD2-CZ3 4.31Å; L86-W95 HydrophobicContact CD1-CB 3.98Å; L86-W95 HydrophobicContact CD1-CG 4.38Å; Q91-W95 WeakPolarHBondContact O-CB 3.33Å; Q91-W95 PolarHBondContact O-N 2.87Å; T92-W95 PolarHBondContact O-N 3.13Å; I93-W95 VanDerWaalsContact C-N 3.32Å; I93-W95 PolarHBondContact O-N 3.47Å; W95-L97 VanDerWaalsContact C-N 3.31Å; W95-L97 PolarHBondContact O-N 3.3Å; W95-R98 PolarHBondContact O-N 2.65Å; W95-Q99 HydrophobicContact CD2-CG 4.01Å; W95-Q99 HydrophobicContact CE3-CG 4.3Å; W95-Q99 HydrophobicContact CH2-CG 4.03Å; W95-Q99 HydrophobicContact CZ2-CG 3.71Å; W95-Q99 HydrophobicContact CZ3-CG 4.31Å; W95-Q99 WeakPolarHBondContact O-CG 3.47Å; W95-Q99 PolarHBondContact O-N 3.01Å |
| 96 | L | 95.6 | Very high | 92.2 | Very high | 59 Ų | 59 | 79.2 Ų | 79.2 | 31% | 0.309 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.5 | -42.4 | 176.7 | -78.7 | 170.1 | 0 | 0 | 0 | 111.8 | L80 T92 I93 Q99 A100 | L80-L96 HydrophobicContact CD1-CD1 4.35Å; L80-L96 HydrophobicContact CD1-CD2 4.33Å; T92-L96 HydrophobicContact CG2-CD1 4.48Å; T92-L96 WeakPolarHBondContact O-CB 3.42Å; T92-L96 WeakPolarHBondContact O-CG 3.42Å; T92-L96 PolarHBondContact O-N 3.2Å; I93-L96 HydrophobicContact CD1-CD1 4.19Å; I93-L96 PolarHBondContact O-N 2.98Å; L96-Q99 PolarHBondContact O-N 3.41Å; L96-A100 VanDerWaalsContact O-CB 3.23Å; L96-A100 WeakPolarHBondContact O-CB 3.44Å; L96-A100 PolarHBondContact O-N 2.7Å |
| 97 | L | 92.8 | Very high | 91.8 | Very high | 101 Ų | 101 | 81.1 Ų | 81.1 | 53% | 0.529 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.5 | -41.4 | 178.8 | -71.5 | 175 | 0 | 0 | 0 | 111.5 | I93 E94 W95 A100 E101 | I93-L97 HydrophobicContact CG2-CD1 4.15Å; I93-L97 HydrophobicContact CG2-CG 4.4Å; I93-L97 WeakPolarHBondContact O-CG 3.36Å; I93-L97 PolarHBondContact O-N 2.81Å; E94-L97 PolarHBondContact O-N 3.2Å; W95-L97 VanDerWaalsContact C-N 3.31Å; W95-L97 PolarHBondContact O-N 3.3Å; L97-A100 CarbonylContact O-C 3.53Å; L97-A100 PolarHBondContact O-N 2.69Å; L97-E101 WeakPolarHBondContact O-CG 3.37Å; L97-E101 PolarHBondContact O-N 3.24Å |
| 98 | R | 92.4 | Very high | 91.4 | Very high | 141 Ų | 141 | 76.5 Ų | 76.5 | 53% | 0.532 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.2 | -45.8 | 174.7 | -73.6 | 178.7 | -179.5 | 178.7 | 3.8 | 112.4 | E94 W95 A100 E101 | E94-R98 WeakPolarHBondContact O-CG 3.4Å; E94-R98 PolarHBondContact O-N 3.44Å; E94-R98 IonicContact OE1-CZ 3.54Å; E94-R98 VanDerWaalsContact OE1-CZ 3.27Å; E94-R98 IonicContact OE1-NE 3.91Å; E94-R98 IonicContact OE1-NH2 2.66Å; E94-R98 PolarHBondContact OE1-NH2 3.24Å; W95-R98 PolarHBondContact O-N 2.65Å; R98-A100 VanDerWaalsContact C-N 3.26Å; R98-A100 PolarHBondContact O-N 3.08Å; R98-E101 VanDerWaalsContact O-CB 3.31Å; R98-E101 WeakPolarHBondContact O-CB 3.45Å; R98-E101 WeakPolarHBondContact O-CG 3.33Å; R98-E101 PolarHBondContact O-N 2.86Å |
| 99 | Q | 92.1 | Very high | 90.6 | Very high | 121 Ų | 121 | 77.4 Ų | 77.4 | 57% | 0.565 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -67.2 | -29.2 | 176.9 | -65.7 | -55.9 | -38.6 | 0 | 0 | 112.5 | W95 L96 E101 P102 | W95-Q99 HydrophobicContact CD2-CG 4.01Å; W95-Q99 HydrophobicContact CE3-CG 4.3Å; W95-Q99 HydrophobicContact CH2-CG 4.03Å; W95-Q99 HydrophobicContact CZ2-CG 3.71Å; W95-Q99 HydrophobicContact CZ3-CG 4.31Å; W95-Q99 WeakPolarHBondContact O-CG 3.47Å; W95-Q99 PolarHBondContact O-N 3.01Å; L96-Q99 PolarHBondContact O-N 3.41Å; Q99-E101 VanDerWaalsContact C-N 3.34Å; Q99-P102 VanDerWaalsContact O-CD 3.3Å; Q99-P102 WeakPolarHBondContact O-CD 3.32Å |
| 100 | A | 92.1 | Very high | 89.6 | Confident | 33 Ų | 33 | 78.2 Ų | 78.2 | 27% | 0.273 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -81.3 | -9.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L96 L97 R98 P102 S103 I104 | L96-A100 VanDerWaalsContact O-CB 3.23Å; L96-A100 WeakPolarHBondContact O-CB 3.44Å; L96-A100 PolarHBondContact O-N 2.7Å; L97-A100 CarbonylContact O-C 3.53Å; L97-A100 PolarHBondContact O-N 2.69Å; R98-A100 VanDerWaalsContact C-N 3.26Å; R98-A100 PolarHBondContact O-N 3.08Å; A100-P102 VanDerWaalsContact C-CD 3.47Å; A100-S103 CarbonylContact O-C 3.59Å; A100-S103 WeakPolarHBondContact O-CA 3.42Å; A100-S103 WeakPolarHBondContact O-CB 3.41Å; A100-S103 PolarHBondContact O-N 3.26Å; A100-I104 HydrophobicContact CB-CD1 4.09Å; A100-I104 HydrophobicContact CB-CG1 4.44Å; A100-I104 VanDerWaalsContact O-CG1 3.3Å; A100-I104 WeakPolarHBondContact O-CG1 3.4Å; A100-I104 PolarHBondContact O-N 3.29Å |
| 101 | E | 89.7 | Confident | 88.2 | Confident | 103 Ų | 103 | 76.5 Ų | 76.5 | 48% | 0.481 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -50.9 | -48.1 | 179.3 | -75.5 | 171.4 | -164.3 | 0 | 0 | 113 | L97 R98 Q99 S103 I104 V105 | L97-E101 WeakPolarHBondContact O-CG 3.37Å; L97-E101 PolarHBondContact O-N 3.24Å; R98-E101 VanDerWaalsContact O-CB 3.31Å; R98-E101 WeakPolarHBondContact O-CB 3.45Å; R98-E101 WeakPolarHBondContact O-CG 3.33Å; R98-E101 PolarHBondContact O-N 2.86Å; Q99-E101 VanDerWaalsContact C-N 3.34Å; E101-S103 VanDerWaalsContact C-N 3.28Å; E101-S103 PolarHBondContact O-N 3.35Å; E101-I104 PolarHBondContact O-N 3.19Å; E101-V105 VanDerWaalsContact O-CG2 3.31Å; E101-V105 WeakPolarHBondContact O-CG2 3.48Å; E101-V105 PolarHBondContact O-N 2.89Å |
| 102 | P | 87.6 | Confident | 86.9 | Confident | 92 Ų | 92 | 78.3 Ų | 78.3 | 60% | 0.597 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -59.8 | -40 | 178.2 | -21.8 | 34.1 | 0 | 0 | 0 | 112.2 | Q99 A100 A106 | Q99-P102 VanDerWaalsContact O-CD 3.3Å; Q99-P102 WeakPolarHBondContact O-CD 3.32Å; A100-P102 VanDerWaalsContact C-CD 3.47Å; P102-A106 WeakPolarHBondContact O-CB 3.23Å; P102-A106 PolarHBondContact O-N 3.36Å |
| 103 | S | 89.4 | Confident | 85.1 | Confident | 82 Ų | 82 | 83 Ų | 83 | 57% | 0.573 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -69.6 | -39.4 | 178.6 | -56.4 | 0 | 0 | 0 | 0 | 112 | A100 E101 A107 | A100-S103 CarbonylContact O-C 3.59Å; A100-S103 WeakPolarHBondContact O-CA 3.42Å; A100-S103 WeakPolarHBondContact O-CB 3.41Å; A100-S103 PolarHBondContact O-N 3.26Å; E101-S103 VanDerWaalsContact C-N 3.28Å; E101-S103 PolarHBondContact O-N 3.35Å; S103-A107 VanDerWaalsContact O-CB 3.31Å; S103-A107 WeakPolarHBondContact O-CB 3.38Å; S103-A107 PolarHBondContact O-N 3.44Å |
| 104 | I | 86.5 | Confident | 83.5 | Confident | 52 Ų | 52 | 84.9 Ų | 84.9 | 27% | 0.267 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.9 | -45.4 | 176.8 | -67.5 | 164.2 | 0 | 0 | 0 | 109.8 | A100 E101 A107 T108 T112 | A100-I104 HydrophobicContact CB-CD1 4.09Å; A100-I104 HydrophobicContact CB-CG1 4.44Å; A100-I104 VanDerWaalsContact O-CG1 3.3Å; A100-I104 WeakPolarHBondContact O-CG1 3.4Å; A100-I104 PolarHBondContact O-N 3.29Å; E101-I104 PolarHBondContact O-N 3.19Å; I104-A107 PolarHBondContact O-N 2.91Å; I104-T108 HydrophobicContact CG2-CG2 4.31Å; I104-T108 WeakPolarHBondContact O-CB 3.37Å; I104-T108 WeakPolarHBondContact O-CG2 3.3Å; I104-T108 PolarHBondContact O-N 2.95Å; I104-T108 PolarHBondContact O-OG1 3.02Å; I104-T112 HydrophobicContact CG2-CG2 4.29Å |
| 105 | V | 85.7 | Confident | 81.7 | Confident | 71 Ų | 71 | 85 Ų | 85 | 43% | 0.43 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.6 | -45.4 | 178.9 | 174.1 | 0 | 0 | 0 | 0 | 110.6 | E101 A107 T108 G109 | E101-V105 VanDerWaalsContact O-CG2 3.31Å; E101-V105 WeakPolarHBondContact O-CG2 3.48Å; E101-V105 PolarHBondContact O-N 2.89Å; V105-A107 VanDerWaalsContact C-N 3.3Å; V105-A107 PolarHBondContact O-N 3.14Å; V105-T108 PolarHBondContact O-N 3.14Å; V105-G109 WeakPolarHBondContact O-CA 3.46Å; V105-G109 PolarHBondContact O-N 3.06Å |
| 106 | A | 87.2 | Confident | 79.6 | Confident | 88 Ų | 88 | 86.2 Ų | 86.2 | 73% | 0.727 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.1 | -38.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | P102 | P102-A106 WeakPolarHBondContact O-CB 3.23Å; P102-A106 PolarHBondContact O-N 3.36Å |
| 107 | A | 86.7 | Confident | 77.4 | Confident | 89 Ų | 89 | 89.7 Ų | 89.7 | 74% | 0.736 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -78.3 | -30.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | S103 I104 V105 | S103-A107 VanDerWaalsContact O-CB 3.31Å; S103-A107 WeakPolarHBondContact O-CB 3.38Å; S103-A107 PolarHBondContact O-N 3.44Å; I104-A107 PolarHBondContact O-N 2.91Å; V105-A107 VanDerWaalsContact C-N 3.3Å; V105-A107 PolarHBondContact O-N 3.14Å |
| 108 | T | 85.4 | Confident | 75.1 | Confident | 84 Ų | 84 | 90.8 Ų | 90.8 | 52% | 0.515 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -105.7 | -12.6 | -173.7 | 61.8 | 0 | 0 | 0 | 0 | 113.8 | I104 V105 S110 G111 | I104-T108 HydrophobicContact CG2-CG2 4.31Å; I104-T108 WeakPolarHBondContact O-CB 3.37Å; I104-T108 WeakPolarHBondContact O-CG2 3.3Å; I104-T108 PolarHBondContact O-N 2.95Å; I104-T108 PolarHBondContact O-OG1 3.02Å; V105-T108 PolarHBondContact O-N 3.14Å; T108-S110 PolarHBondContact O-N 2.85Å; T108-G111 PolarHBondContact OG1-N 3.36Å |
| 109 | G | 75.7 | Confident | 72.7 | Confident | 69 Ų | 69 | 89.8 Ų | 89.8 | 71% | 0.711 | 58% | 0.584 | S | S | * | * | S | Bend | trans | 68.8 | -19.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | V105 | V105-G109 WeakPolarHBondContact O-CA 3.46Å; V105-G109 PolarHBondContact O-N 3.06Å |
| 110 | S | 72.7 | Confident | 70.6 | Confident | 87 Ų | 87 | 87.6 Ų | 87.6 | 61% | 0.608 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -123.9 | -12 | -173.8 | -174.3 | 0 | 0 | 0 | 0 | 114.8 | T108 T113 | T108-S110 PolarHBondContact O-N 2.85Å; S110-T113 PolarHBondContact OG-OG1 3.41Å |
| 111 | G | 64.4 | Low | 68.3 | Low | 16 Ų | 16 | 91.3 Ų | 91.3 | 17% | 0.165 | 61% | 0.606 | C | S | . | * | S | Bend | trans | 69.2 | 112.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | T108 T113 | T108-G111 PolarHBondContact OG1-N 3.36Å; G111-T113 PolarHBondContact O-N 3.33Å |
| 112 | T | 67.7 | Low | 66.5 | Low | 107 Ų | 107 | 89.9 Ų | 89.9 | 66% | 0.656 | 61% | 0.611 | S | S | * | * | trans | 49.3 | 16.6 | 160.6 | 75.1 | 0 | 0 | 0 | 0 | 119.2 | I104 P114 | I104-T112 HydrophobicContact CG2-CG2 4.29Å; T112-P114 WeakPolarHBondContact O-CD 3.44Å | ||
| 113 | T | 59 | Low | 64.4 | Low | 99 Ų | 99 | 90.9 Ų | 90.9 | 61% | 0.607 | 62% | 0.618 | S | S | * | * | trans | -56.5 | 107 | 169.7 | -37.9 | 0 | 0 | 0 | 0 | 106.9 | S110 G111 A115 | S110-T113 PolarHBondContact OG-OG1 3.41Å; G111-T113 PolarHBondContact O-N 3.33Å; T113-A115 PolarHBondContact O-N 3.14Å; T113-A115 VanDerWaalsContact O-N 3.16Å | ||
| 114 | P | 60.3 | Low | 62.6 | Low | 101 Ų | 101 | 91.7 Ų | 91.7 | 66% | 0.656 | 62% | 0.624 | S | S | * | * | trans | -60.7 | 131.3 | -175.9 | 24.5 | -30.6 | 0 | 0 | 0 | 105.6 | T112 V116 | T112-P114 WeakPolarHBondContact O-CD 3.44Å; P114-V116 WeakPolarHBondContact O-CG2 3.4Å; P114-V116 PolarHBondContact O-N 3.04Å | ||
| 115 | A | 57.8 | Low | 60.9 | Low | 96 Ų | 96 | 94.9 Ų | 94.9 | 79% | 0.793 | 65% | 0.646 | S | S | * | * | trans | -56.9 | 94.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 106.2 | T113 F117 | T113-A115 PolarHBondContact O-N 3.14Å; T113-A115 VanDerWaalsContact O-N 3.16Å; A115-F117 PolarHBondContact O-N 3.38Å | ||
| 116 | V | 51.3 | Low | 58.9 | Low | 120 Ų | 120 | 96.2 Ų | 96.2 | 73% | 0.727 | 66% | 0.658 | S | S | * | * | trans | -55.5 | 126.1 | 176.8 | -155.2 | 0 | 0 | 0 | 0 | 104.2 | P114 V118 | P114-V116 WeakPolarHBondContact O-CG2 3.4Å; P114-V116 PolarHBondContact O-N 3.04Å; V116-V118 VanDerWaalsContact C-N 3.33Å; V116-V118 PolarHBondContact O-N 3.5Å | ||
| 117 | F | 48.3 | Very low | 56.9 | Low | 132 Ų | 132 | 97.3 Ų | 97.3 | 58% | 0.579 | 66% | 0.66 | S | S | * | * | trans | -52.8 | 94.4 | -173.3 | -75.7 | -99.4 | 0 | 0 | 0 | 110.5 | R63 A115 S119 | R63-F117 HydrophobicContact CB-CZ 4.48Å; A115-F117 PolarHBondContact O-N 3.38Å; F117-S119 PolarHBondContact O-N 2.96Å | ||
| 118 | V | 45 | Very low | 54.9 | Low | 123 Ų | 123 | 98.4 Ų | 98.4 | 75% | 0.745 | 66% | 0.663 | S | S | * | * | trans | -76 | 75.8 | 162.7 | -174.2 | 0 | 0 | 0 | 0 | 105.9 | V116 S120 | V116-V118 VanDerWaalsContact C-N 3.33Å; V116-V118 PolarHBondContact O-N 3.5Å; V118-S120 WeakPolarHBondContact CG1-OG 3.42Å; V118-S120 PolarHBondContact O-N 3.39Å | ||
| 119 | S | 41.8 | Very low | 53 | Low | 120 Ų | 120 | 99.3 Ų | 99.3 | 84% | 0.839 | 67% | 0.672 | S | S | * | * | trans | -82.1 | 75.6 | 150.5 | -85.8 | 0 | 0 | 0 | 0 | 107 | F117 | F117-S119 PolarHBondContact O-N 2.96Š| ||
| 120 | S | 47.9 | Very low | 51.4 | Low | 75 Ų | 75 | 100.5 Ų | 100.5 | 52% | 0.524 | 67% | 0.67 | S | S | . | * | trans | -135.3 | 108.3 | 162.7 | 61.3 | 0 | 0 | 0 | 0 | 108.1 | V118 | V118-S120 WeakPolarHBondContact CG1-OG 3.42Å; V118-S120 PolarHBondContact O-N 3.39Å | ||
| 121 | S | 45.4 | Very low | 50.1 | Low | 112 Ų | 112 | 104.9 Ų | 104.9 | 78% | 0.783 | 68% | 0.68 | S | S | * | * | trans | 25.9 | 103.1 | 140.3 | 52.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 122 | A | 50.8 | Low | 48.8 | Very low | 72 Ų | 72 | 115.1 Ų | 115.1 | 60% | 0.595 | 72% | 0.716 | S | S | * | * | trans | 7.6 | 166 | 143.9 | 0 | 0 | 0 | 0 | 0 | 121.1 | F157 | A122-F157 HydrophobicContact CB-CE2 4.49Š| ||
| 123 | P | 44.7 | Very low | 47.7 | Very low | 114 Ų | 114 | 118 Ų | 118 | 74% | 0.74 | 72% | 0.721 | S | S | * | * | cis | -137.8 | -169.4 | -42.9 | 37.7 | -19.4 | 0 | 0 | 0 | 112.1 | ||||
| 124 | S | 49.9 | Very low | 47.1 | Very low | 99 Ų | 99 | 119.5 Ų | 119.5 | 69% | 0.692 | 72% | 0.721 | S | S | * | * | trans | 97.6 | 126.7 | 150.5 | 74.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 125 | T | 52.1 | Low | 46.2 | Very low | 118 Ų | 118 | 120.5 Ų | 120.5 | 72% | 0.724 | 72% | 0.717 | S | S | * | * | trans | 62.8 | 99.5 | 139.4 | 46 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 126 | S | 43.3 | Very low | 45.5 | Very low | 100 Ų | 100 | 122.8 Ų | 122.8 | 70% | 0.699 | 71% | 0.712 | S | S | * | * | 77.8 | 137.9 | 88.9 | 67.3 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 127 | S | 45.2 | Very low | 45.1 | Very low | 110 Ų | 110 | 125.6 Ų | 125.6 | 77% | 0.769 | 72% | 0.717 | S | S | * | * | trans | 77.7 | 107.4 | 172.1 | 65.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 128 | S | 45 | Very low | 44.6 | Very low | 113 Ų | 113 | 123.4 Ų | 123.4 | 79% | 0.79 | 72% | 0.723 | S | S | * | * | 68.3 | 128 | 79.5 | -80.5 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 129 | S | 44.7 | Very low | 44.9 | Very low | 102 Ų | 102 | 123.7 Ų | 123.7 | 71% | 0.713 | 73% | 0.725 | S | S | * | * | trans | 69.9 | 108.1 | 155.4 | 65.9 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 130 | S | 41.6 | Very low | 45.4 | Very low | 95 Ų | 95 | 124 Ų | 124 | 66% | 0.664 | 72% | 0.722 | S | S | * | * | 71.8 | 144 | 119.3 | -50.6 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 131 | H | 45.7 | Very low | 45.4 | Very low | 178 Ų | 178 | 126.6 Ų | 126.6 | 82% | 0.824 | 73% | 0.734 | S | S | * | * | trans | 108.2 | 121.5 | 156.6 | -52 | -68.3 | 0 | 0 | 0 | 116.9 | ||||
| 132 | Y | 38.4 | Very low | 45.3 | Very low | 231 Ų | 231 | 129 Ų | 129 | 91% | 0.906 | 74% | 0.738 | S | S | * | * | trans | -57.8 | 176.9 | 173 | -65.2 | -93.4 | 0 | 0 | 0 | 112.9 | ||||
| 133 | H | 44.7 | Very low | 45 | Very low | 168 Ų | 168 | 128.8 Ų | 128.8 | 78% | 0.778 | 74% | 0.742 | S | S | * | * | trans | 106.5 | 95 | 160.1 | -148 | -94.6 | 0 | 0 | 0 | 113.3 | ||||
| 134 | H | 45.6 | Very low | 45.4 | Very low | 131 Ų | 131 | 131.1 Ų | 131.1 | 61% | 0.606 | 74% | 0.74 | S | S | * | * | 77.6 | 114.6 | 84.7 | -170.9 | 80.5 | 0 | 0 | 0 | 113.6 | |||||
| 135 | Q | 40.8 | Very low | 45.4 | Very low | 122 Ų | 122 | 136.2 Ų | 136.2 | 57% | 0.57 | 75% | 0.745 | S | S | * | * | trans | 68.2 | 110.4 | 139.2 | -157.6 | 174.6 | 54.5 | 0 | 0 | 119.7 | ||||
| 136 | Q | 44.5 | Very low | 44.8 | Very low | 144 Ų | 144 | 136.4 Ų | 136.4 | 67% | 0.673 | 75% | 0.748 | S | S | * | * | trans | 47.2 | 129.7 | 135.9 | -51.9 | 167.8 | 10.5 | 0 | 0 | 119.2 | ||||
| 137 | Q | 41.2 | Very low | 44.8 | Very low | 178 Ų | 178 | 142.3 Ų | 142.3 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | trans | 137.8 | 147.8 | 130.1 | -73.4 | 151.8 | 105.2 | 0 | 0 | 113 | ||||
| 138 | A | 38.7 | Very low | 45 | Very low | 86 Ų | 86 | 146.4 Ų | 146.4 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | trans | -83.7 | 176.4 | -161.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 139 | T | 50.3 | Low | 44.9 | Very low | 129 Ų | 129 | 149.7 Ų | 149.7 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | trans | 100 | 150.8 | 155.6 | 81.6 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 140 | V | 52.4 | Low | 44.8 | Very low | 128 Ų | 128 | 148.2 Ų | 148.2 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | trans | 99.4 | 89.6 | 173.9 | -51.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 141 | V | 48.2 | Very low | 44.9 | Very low | 128 Ų | 128 | 151.4 Ų | 151.4 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | 71.1 | 122.2 | 66.7 | -178.6 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 142 | L | 42.8 | Very low | 44.8 | Very low | 164 Ų | 164 | 147.3 Ų | 147.3 | 86% | 0.859 | 77% | 0.772 | S | S | * | * | trans | 106.2 | 114.1 | 142.8 | -136.6 | 64.6 | 0 | 0 | 0 | 119.7 | ||||
| 143 | G | 45.4 | Very low | 45.2 | Very low | 67 Ų | 67 | 141.6 Ų | 141.6 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | trans | 144.4 | 84 | 157 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 144 | K | 53.6 | Low | 45.6 | Very low | 162 Ų | 162 | 136.4 Ų | 136.4 | 70% | 0.704 | 77% | 0.765 | S | S | * | * | 46.2 | 122.3 | 80.3 | -63.5 | -124.5 | 178.7 | 179.2 | 0 | 110.9 | |||||
| 145 | R | 49.9 | Very low | 45.9 | Very low | 207 Ų | 207 | 135.9 Ų | 135.9 | 78% | 0.781 | 78% | 0.776 | S | S | * | * | cis | 176.8 | -174.2 | 31.2 | -103.1 | 169.8 | 170.4 | 147.6 | -5 | 105.8 | ||||
| 146 | P | 40 | Very low | 47 | Very low | 121 Ų | 121 | 134.8 Ų | 134.8 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | -125.6 | 174.9 | -58.9 | 36.3 | -17.4 | 0 | 0 | 0 | 112 | |||||
| 147 | R | 41.7 | Very low | 48.1 | Very low | 224 Ų | 224 | 133.8 Ų | 133.8 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | trans | -67.1 | 135 | 176.9 | 169.5 | 175.1 | 171.6 | 94.4 | -2.7 | 113.3 | ||||
| 148 | E | 50.8 | Low | 48.7 | Very low | 197 Ų | 197 | 134.7 Ų | 134.7 | 92% | 0.921 | 77% | 0.767 | S | S | * | * | trans | -129.6 | 144.9 | 153.6 | -70.5 | -163.5 | 151.6 | 0 | 0 | 110.1 | ||||
| 149 | E | 41.3 | Very low | 49.6 | Very low | 181 Ų | 181 | 134.3 Ų | 134.3 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | trans | -90.7 | 135.2 | -169.1 | 174.7 | -175 | 155.4 | 0 | 0 | 109.7 | ||||
| 150 | G | 44.5 | Very low | 49.9 | Very low | 71 Ų | 71 | 132.2 Ų | 132.2 | 73% | 0.732 | 76% | 0.759 | S | S | * | * | trans | -174.7 | 111.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 151 | D | 42 | Very low | 49.9 | Very low | 162 Ų | 162 | 131.5 Ų | 131.5 | 87% | 0.866 | 75% | 0.751 | S | S | * | * | trans | -46.8 | 164.9 | -179.3 | -80 | -76.6 | 0 | 0 | 0 | 117.1 | ||||
| 152 | A | 44.8 | Very low | 50.3 | Low | 93 Ų | 93 | 130.6 Ų | 130.6 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | trans | 90.1 | 81.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 153 | A | 47 | Very low | 50.3 | Low | 110 Ų | 110 | 128 Ų | 128 | 91% | 0.909 | 75% | 0.749 | S | S | * | * | 19.1 | 111.2 | 122.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 154 | G | 52.8 | Low | 50.5 | Low | 60 Ų | 60 | 127.8 Ų | 127.8 | 62% | 0.619 | 74% | 0.741 | S | S | * | * | trans | 145.4 | 79.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V156 | G154-V156 VanDerWaalsContact O-CG2 3.25Å; G154-V156 WeakPolarHBondContact O-CG2 3.13Å; G154-V156 PolarHBondContact O-N 2.99Å | ||
| 155 | S | 52.1 | Low | 50.2 | Low | 120 Ų | 120 | 126.5 Ų | 126.5 | 84% | 0.839 | 75% | 0.749 | S | S | * | * | trans | -62.9 | 86.1 | 166.2 | 157.6 | 0 | 0 | 0 | 0 | 109.3 | F157 | S155-F157 VanDerWaalsContact C-N 3.25Å; S155-F157 PolarHBondContact O-N 3.27Å; S155-F157 VanDerWaalsContact O-N 3.11Å | ||
| 156 | V | 63.6 | Low | 50 | Low | 98 Ų | 98 | 127.6 Ų | 127.6 | 59% | 0.594 | 75% | 0.753 | S | S | * | * | trans | -85.8 | 66.9 | 175.8 | -155.1 | 0 | 0 | 0 | 0 | 109.7 | G154 W158 A159 | G154-V156 VanDerWaalsContact O-CG2 3.25Å; G154-V156 WeakPolarHBondContact O-CG2 3.13Å; G154-V156 PolarHBondContact O-N 2.99Å; V156-W158 PolarHBondContact O-N 3Å; V156-A159 HydrophobicContact CB-CB 4.11Å; V156-A159 HydrophobicContact CG1-CB 3.21Å; V156-A159 PolarHBondContact O-N 2.89Å | ||
| 157 | F | 67.8 | Low | 50.2 | Low | 123 Ų | 123 | 125 Ų | 125 | 54% | 0.539 | 74% | 0.742 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.4 | -26.8 | 179.9 | 169.2 | -106.1 | 0 | 0 | 0 | 113.2 | A122 S155 | A122-F157 HydrophobicContact CB-CE2 4.49Å; S155-F157 VanDerWaalsContact C-N 3.25Å; S155-F157 PolarHBondContact O-N 3.27Å; S155-F157 VanDerWaalsContact O-N 3.11Å |
| 158 | W | 53.6 | Low | 50.5 | Low | 198 Ų | 198 | 121.2 Ų | 121.2 | 75% | 0.75 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | -7.6 | -177.8 | -68.5 | 108.4 | 0 | 0 | 0 | 115.4 | V156 L161 | V156-W158 PolarHBondContact O-N 3Å; W158-L161 HydrophobicContact CE3-CD1 4.27Å |
| 159 | A | 57.3 | Low | 49.9 | Very low | 78 Ų | 78 | 119.9 Ų | 119.9 | 65% | 0.645 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | -5.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | V156 | V156-A159 HydrophobicContact CB-CB 4.11Å; V156-A159 HydrophobicContact CG1-CB 3.21Å; V156-A159 PolarHBondContact O-N 2.89Å |
| 160 | A | 55.9 | Low | 49.9 | Very low | 84 Ų | 84 | 115.4 Ų | 115.4 | 69% | 0.694 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | 12.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | P162 | A160-P162 WeakPolarHBondContact O-CD 3.25Š|
| 161 | L | 53.8 | Low | 49.9 | Very low | 114 Ų | 114 | 122.7 Ų | 122.7 | 60% | 0.597 | 74% | 0.737 | S | S | * | * | trans | -71.5 | 112.9 | 167.3 | -95.4 | 79 | 0 | 0 | 0 | 108.1 | W158 A163 | W158-L161 HydrophobicContact CE3-CD1 4.27Å; L161-A163 PolarHBondContact O-N 3.14Å | ||
| 162 | P | 55.3 | Low | 50 | Low | 109 Ų | 109 | 119.2 Ų | 119.2 | 71% | 0.708 | 74% | 0.74 | S | S | * | * | trans | -60.9 | 125.3 | 172.1 | 25.5 | -32.2 | 0 | 0 | 0 | 108.5 | A160 A164 | A160-P162 WeakPolarHBondContact O-CD 3.25Å; P162-A164 PolarHBondContact O-N 3.28Å | ||
| 163 | A | 44.1 | Very low | 50.1 | Low | 109 Ų | 109 | 122 Ų | 122 | 90% | 0.901 | 74% | 0.735 | S | S | * | * | trans | -60.6 | 85.2 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | L161 | L161-A163 PolarHBondContact O-N 3.14Š| ||
| 164 | A | 49.5 | Very low | 50.4 | Low | 62 Ų | 62 | 120.7 Ų | 120.7 | 51% | 0.512 | 72% | 0.719 | S | S | . | * | trans | -106.8 | 121.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | P162 R166 | P162-A164 PolarHBondContact O-N 3.28Å; A164-R166 VanDerWaalsContact C-N 3.28Å; A164-R166 PolarHBondContact O-N 3.45Å | ||
| 165 | P | 46 | Very low | 50.7 | Low | 136 Ų | 136 | 123 Ų | 123 | 88% | 0.883 | 72% | 0.723 | S | S | * | * | trans | -72.6 | 86.5 | 174.1 | 30.7 | -32 | 0 | 0 | 0 | 108.2 | A167 | P165-A167 PolarHBondContact O-N 2.93Š| ||
| 166 | R | 45.5 | Very low | 50.9 | Low | 230 Ų | 230 | 123.9 Ų | 123.9 | 87% | 0.868 | 72% | 0.717 | S | S | * | * | trans | -91.8 | 103.1 | 178.2 | -92.2 | -93.7 | 162.3 | 106.4 | -7.9 | 109.6 | A164 | A164-R166 VanDerWaalsContact C-N 3.28Å; A164-R166 PolarHBondContact O-N 3.45Å | ||
| 167 | A | 44.3 | Very low | 50.6 | Low | 66 Ų | 66 | 125 Ų | 125 | 55% | 0.545 | 72% | 0.716 | S | S | . | * | trans | 50 | 101.5 | 144.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | P165 E169 | P165-A167 PolarHBondContact O-N 2.93Å; A167-E169 HydrophobicContact CB-CG 4.41Å; A167-E169 PolarHBondContact O-N 3.3Å | ||
| 168 | T | 48.5 | Very low | 50 | Low | 145 Ų | 145 | 121.3 Ų | 121.3 | 89% | 0.89 | 71% | 0.708 | S | S | * | * | trans | -61.5 | 76.1 | 153.9 | 52.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 169 | E | 39.1 | Very low | 50 | Low | 168 Ų | 168 | 118.6 Ų | 118.6 | 79% | 0.785 | 70% | 0.704 | S | S | * | * | trans | -134.2 | 116.2 | 170.3 | -70.6 | -169.9 | 144.4 | 0 | 0 | 107.2 | A167 | A167-E169 HydrophobicContact CB-CG 4.41Å; A167-E169 PolarHBondContact O-N 3.3Å | ||
| 170 | A | 41.4 | Very low | 50 | Low | 87 Ų | 87 | 117.7 Ų | 117.7 | 72% | 0.719 | 70% | 0.696 | S | S | * | * | S | Bend | trans | 156.3 | -5.7 | 145.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 171 | W | 43.3 | Very low | 50 | Low | 224 Ų | 224 | 116.5 Ų | 116.5 | 85% | 0.848 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -135.3 | 78.6 | 177.4 | -61.1 | 83.7 | 0 | 0 | 0 | 111.2 | F173 | W171-F173 WeakPolarHBondContact O-CD2 3.2Å; W171-F173 PolarHBondContact O-N 3.44Å |
| 172 | G | 45.1 | Very low | 50 | Low | 89 Ų | 89 | 114.1 Ų | 114.1 | 92% | 0.918 | 68% | 0.683 | S | S | * | * | trans | 49.7 | 8.6 | 146.9 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 173 | F | 45.3 | Very low | 50 | Low | 153 Ų | 153 | 111.6 Ų | 111.6 | 67% | 0.671 | 67% | 0.672 | S | S | * | * | trans | -91.7 | 115 | 175.3 | -70.3 | -72.9 | 0 | 0 | 0 | 108.7 | W171 | W171-F173 WeakPolarHBondContact O-CD2 3.2Å; W171-F173 PolarHBondContact O-N 3.44Å | ||
| 174 | S | 53.6 | Low | 50.5 | Low | 81 Ų | 81 | 109.2 Ų | 109.2 | 57% | 0.566 | 65% | 0.652 | S | S | * | * | trans | -52 | 138.6 | 173.1 | -73.6 | 0 | 0 | 0 | 0 | 110.2 | L176 E177 A178 | S174-L176 PolarHBondContact O-N 2.84Å; S174-E177 PolarHBondContact O-N 3.35Å; S174-A178 PolarHBondContact O-N 3.48Å | ||
| 175 | P | 59.3 | Low | 50.6 | Low | 109 Ų | 109 | 109.3 Ų | 109.3 | 71% | 0.708 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -53.8 | -25.6 | -178.1 | -25.7 | 32.9 | 0 | 0 | 0 | 113.9 | Q179 | P175-Q179 WeakPolarHBondContact O-CB 3.48Å; P175-Q179 PolarHBondContact O-N 3.42Å; P175-Q179 VanDerWaalsContact O-N 3.14Å |
| 176 | L | 57.3 | Low | 50.9 | Low | 138 Ų | 138 | 106.2 Ų | 106.2 | 72% | 0.723 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -72.8 | -33.4 | 178.2 | -159.2 | 72.5 | 0 | 0 | 0 | 113 | S174 A180 | S174-L176 PolarHBondContact O-N 2.84Å; L176-A180 PolarHBondContact O-N 3.06Å |
| 177 | E | 56.8 | Low | 51.1 | Low | 123 Ų | 123 | 98.7 Ų | 98.7 | 58% | 0.575 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -81.1 | -31.7 | 179 | -165.4 | 161.8 | 117.3 | 0 | 0 | 111.4 | S174 Q179 A180 A181 | S174-E177 PolarHBondContact O-N 3.35Å; E177-Q179 VanDerWaalsContact C-N 3.34Å; E177-A180 PolarHBondContact O-N 2.83Å; E177-A181 VanDerWaalsContact O-CB 3.32Å; E177-A181 WeakPolarHBondContact O-CB 3.32Å; E177-A181 PolarHBondContact O-N 2.87Å |
| 178 | A | 55.5 | Low | 51.6 | Low | 44 Ų | 44 | 99.5 Ų | 99.5 | 36% | 0.364 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -64.4 | -39.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | S174 A181 A182 | S174-A178 PolarHBondContact O-N 3.48Å; A178-A181 PolarHBondContact O-N 2.84Å; A178-A182 VanDerWaalsContact O-CB 3.22Å; A178-A182 WeakPolarHBondContact O-CB 3.19Å; A178-A182 PolarHBondContact O-N 3.49Å |
| 179 | Q | 53.8 | Low | 51.4 | Low | 142 Ų | 142 | 101.7 Ų | 101.7 | 66% | 0.664 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -70 | -35.1 | 175.4 | -166.1 | 164.9 | 0.2 | 0 | 0 | 112 | P175 E177 A183 | P175-Q179 WeakPolarHBondContact O-CB 3.48Å; P175-Q179 PolarHBondContact O-N 3.42Å; P175-Q179 VanDerWaalsContact O-N 3.14Å; E177-Q179 VanDerWaalsContact C-N 3.34Å; Q179-A183 WeakPolarHBondContact O-CB 3.27Å; Q179-A183 PolarHBondContact O-N 2.89Å |
| 180 | A | 57 | Low | 52.1 | Low | 59 Ų | 59 | 98.7 Ų | 98.7 | 49% | 0.488 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -69.7 | -39.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | L176 E177 A183 A184 | L176-A180 PolarHBondContact O-N 3.06Å; E177-A180 PolarHBondContact O-N 2.83Å; A180-A183 PolarHBondContact O-N 3.05Å; A180-A184 VanDerWaalsContact O-CB 3.25Å; A180-A184 WeakPolarHBondContact O-CB 3.24Å; A180-A184 PolarHBondContact O-N 2.86Å |
| 181 | A | 55.7 | Low | 52.7 | Low | 59 Ų | 59 | 97.8 Ų | 97.8 | 49% | 0.488 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -70.9 | -37.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E177 A178 A184 A185 | E177-A181 VanDerWaalsContact O-CB 3.32Å; E177-A181 WeakPolarHBondContact O-CB 3.32Å; E177-A181 PolarHBondContact O-N 2.87Å; A178-A181 PolarHBondContact O-N 2.84Å; A181-A184 PolarHBondContact O-N 2.98Å; A181-A185 VanDerWaalsContact O-CB 3.27Å; A181-A185 WeakPolarHBondContact O-CB 3.22Å; A181-A185 PolarHBondContact O-N 2.9Å |
| 182 | A | 54.6 | Low | 52.9 | Low | 63 Ų | 63 | 95.6 Ų | 95.6 | 52% | 0.521 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -67.7 | -38.3 | 172 | 0 | 0 | 0 | 0 | 0 | 111.7 | A178 A186 | A178-A182 VanDerWaalsContact O-CB 3.22Å; A178-A182 WeakPolarHBondContact O-CB 3.19Å; A178-A182 PolarHBondContact O-N 3.49Å; A182-A186 VanDerWaalsContact O-CB 3.24Å; A182-A186 WeakPolarHBondContact O-CB 3.21Å; A182-A186 PolarHBondContact O-N 2.8Å |
| 183 | A | 53.6 | Low | 53.2 | Low | 57 Ų | 57 | 95.3 Ų | 95.3 | 47% | 0.471 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -68.5 | -36.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q179 A180 A186 A187 | Q179-A183 WeakPolarHBondContact O-CB 3.27Å; Q179-A183 PolarHBondContact O-N 2.89Å; A180-A183 PolarHBondContact O-N 3.05Å; A183-A186 PolarHBondContact O-N 3.14Å; A183-A187 WeakPolarHBondContact O-CB 3.25Å; A183-A187 PolarHBondContact O-N 3.48Å |
| 184 | A | 54.6 | Low | 53.4 | Low | 58 Ų | 58 | 95.1 Ų | 95.1 | 48% | 0.479 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -71.7 | -36 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A180 A181 A187 A188 | A180-A184 VanDerWaalsContact O-CB 3.25Å; A180-A184 WeakPolarHBondContact O-CB 3.24Å; A180-A184 PolarHBondContact O-N 2.86Å; A181-A184 PolarHBondContact O-N 2.98Å; A184-A187 PolarHBondContact O-N 3.39Å; A184-A188 VanDerWaalsContact O-CB 3.24Å; A184-A188 WeakPolarHBondContact O-CB 3.24Å; A184-A188 PolarHBondContact O-N 2.8Å |
| 185 | A | 52.5 | Low | 53.2 | Low | 64 Ų | 64 | 93.9 Ų | 93.9 | 53% | 0.529 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -70.4 | -36.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A181 A188 Y189 | A181-A185 VanDerWaalsContact O-CB 3.27Å; A181-A185 WeakPolarHBondContact O-CB 3.22Å; A181-A185 PolarHBondContact O-N 2.9Å; A185-A188 PolarHBondContact O-N 2.83Å; A185-Y189 PolarHBondContact O-N 3.43Å |
| 186 | A | 51.4 | Low | 52.9 | Low | 71 Ų | 71 | 95.8 Ų | 95.8 | 59% | 0.587 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -69.1 | -32.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A182 A183 | A182-A186 VanDerWaalsContact O-CB 3.24Å; A182-A186 WeakPolarHBondContact O-CB 3.21Å; A182-A186 PolarHBondContact O-N 2.8Å; A183-A186 PolarHBondContact O-N 3.14Å |
| 187 | A | 51.4 | Low | 52.5 | Low | 72 Ų | 72 | 92.6 Ų | 92.6 | 60% | 0.595 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -76.7 | -28.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A183 A184 | A183-A187 WeakPolarHBondContact O-CB 3.25Å; A183-A187 PolarHBondContact O-N 3.48Å; A184-A187 PolarHBondContact O-N 3.39Å |
| 188 | A | 52.9 | Low | 52.2 | Low | 84 Ų | 84 | 93.1 Ų | 93.1 | 69% | 0.694 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -82.9 | -20.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | A184 A185 V190 | A184-A188 VanDerWaalsContact O-CB 3.24Å; A184-A188 WeakPolarHBondContact O-CB 3.24Å; A184-A188 PolarHBondContact O-N 2.8Å; A185-A188 PolarHBondContact O-N 2.83Å; A188-V190 PolarHBondContact O-N 3.13Å; A188-V190 VanDerWaalsContact O-N 3.13Å |
| 189 | Y | 44.4 | Very low | 52 | Low | 191 Ų | 191 | 96.5 Ų | 96.5 | 75% | 0.749 | 60% | 0.595 | S | S | * | * | trans | -84.5 | 66.3 | 163.5 | -165.3 | -98.2 | 0 | 0 | 0 | 109.4 | A185 P191 | A185-Y189 PolarHBondContact O-N 3.43Å; Y189-P191 WeakPolarHBondContact O-CD 3.48Å | ||
| 190 | V | 54.7 | Low | 52 | Low | 104 Ų | 104 | 96.1 Ų | 96.1 | 63% | 0.63 | 59% | 0.593 | S | S | * | * | trans | -60.2 | 124.8 | 163.1 | 178.1 | 0 | 0 | 0 | 0 | 106.5 | A188 M192 | A188-V190 PolarHBondContact O-N 3.13Å; A188-V190 VanDerWaalsContact O-N 3.13Å; V190-M192 VanDerWaalsContact C-N 3.27Å; V190-M192 PolarHBondContact O-N 2.8Å | ||
| 191 | P | 53.3 | Low | 52 | Low | 69 Ų | 69 | 99.2 Ų | 99.2 | 45% | 0.448 | 60% | 0.597 | S | S | . | * | trans | -67 | 95.4 | 172.2 | 29.1 | -31.5 | 0 | 0 | 0 | 107.1 | Y189 A193 Q194 | Y189-P191 WeakPolarHBondContact O-CD 3.48Å; P191-A193 PolarHBondContact O-N 2.78Å; P191-Q194 PolarHBondContact O-N 3.15Å; P191-Q194 VanDerWaalsContact O-N 3.15Å | ||
| 192 | M | 47.8 | Very low | 52.2 | Low | 177 Ų | 177 | 101.5 Ų | 101.5 | 87% | 0.872 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | 11.6 | 165.9 | -169.1 | 73.8 | 178.5 | 0 | 0 | 112 | V190 | V190-M192 VanDerWaalsContact C-N 3.27Å; V190-M192 PolarHBondContact O-N 2.8Å |
| 193 | A | 51.4 | Low | 52.6 | Low | 84 Ų | 84 | 103.9 Ų | 103.9 | 69% | 0.694 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.9 | -10.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | P191 | P191-A193 PolarHBondContact O-N 2.78Š|
| 194 | Q | 50.3 | Low | 53 | Low | 149 Ų | 149 | 107.3 Ų | 107.3 | 70% | 0.696 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -97.2 | -7.4 | 177.9 | -146.7 | 169 | -48.8 | 0 | 0 | 113.6 | P191 Q196 | P191-Q194 PolarHBondContact O-N 3.15Å; P191-Q194 VanDerWaalsContact O-N 3.15Å; Q194-Q196 VanDerWaalsContact C-N 3.28Å; Q194-Q196 PolarHBondContact O-N 2.79Å |
| 195 | A | 48.5 | Very low | 53.3 | Low | 54 Ų | 54 | 109 Ų | 109 | 45% | 0.446 | 62% | 0.615 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.2 | 23.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | H199 | A195-H199 PolarHBondContact O-CD2 3.34Å; A195-H199 PolarHBondContact O-NE2 3.12Å; A195-H199 VanDerWaalsContact O-NE2 3.12Å |
| 196 | Q | 52.6 | Low | 53.9 | Low | 150 Ų | 150 | 108.8 Ų | 108.8 | 70% | 0.701 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.9 | -24.2 | 167.5 | -71.6 | -170.2 | -70.9 | 0 | 0 | 112.8 | Q194 H200 | Q194-Q196 VanDerWaalsContact C-N 3.28Å; Q194-Q196 PolarHBondContact O-N 2.79Å; Q196-H200 PolarHBondContact O-CD2 3.3Å; Q196-H200 VanDerWaalsContact O-CD2 3.32Å; Q196-H200 PolarHBondContact O-NE2 3.32Å |
| 197 | A | 50.4 | Low | 54.6 | Low | 70 Ų | 70 | 108.3 Ų | 108.3 | 58% | 0.579 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -26.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 198 | Q | 49.4 | Very low | 55.3 | Low | 135 Ų | 135 | 111.1 Ų | 111.1 | 63% | 0.631 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -83.6 | -15 | 177.8 | -67.7 | -73.3 | -62.6 | 0 | 0 | 113.2 | H200 L202 | Q198-H200 VanDerWaalsContact C-N 3.32Å; Q198-H200 PolarHBondContact O-N 2.97Å; Q198-L202 PolarHBondContact O-N 3.47Å |
| 199 | H | 50.9 | Low | 55.8 | Low | 115 Ų | 115 | 111 Ų | 111 | 53% | 0.532 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -74.5 | -21.9 | 179.4 | -75 | -96.4 | 0 | 0 | 0 | 112.6 | A195 N203 | A195-H199 PolarHBondContact O-CD2 3.34Å; A195-H199 PolarHBondContact O-NE2 3.12Å; A195-H199 VanDerWaalsContact O-NE2 3.12Å; H199-N203 WeakPolarHBondContact O-CB 3Å; H199-N203 PolarHBondContact O-N 3.45Å |
| 200 | H | 55.2 | Low | 56.5 | Low | 133 Ų | 133 | 103.9 Ų | 103.9 | 62% | 0.616 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -71.6 | -34.3 | 178.4 | -57.1 | -64.3 | 0 | 0 | 0 | 112.6 | Q196 Q198 L204 | Q196-H200 PolarHBondContact O-CD2 3.3Å; Q196-H200 VanDerWaalsContact O-CD2 3.32Å; Q196-H200 PolarHBondContact O-NE2 3.32Å; Q198-H200 VanDerWaalsContact C-N 3.32Å; Q198-H200 PolarHBondContact O-N 2.97Å; H200-L204 WeakPolarHBondContact O-CG 3.47Å; H200-L204 PolarHBondContact O-N 3.13Å |
| 201 | H | 55.5 | Low | 56.5 | Low | 124 Ų | 124 | 102.1 Ų | 102.1 | 57% | 0.574 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -78.5 | -40.1 | 178.5 | -170 | -94.2 | 0 | 0 | 0 | 112.3 | L204 L205 | H201-L204 PolarHBondContact O-N 3.47Å; H201-L205 PolarHBondContact O-N 3.24Å; H201-L205 VanDerWaalsContact O-N 3.13Å |
| 202 | L | 60.4 | Low | 56.5 | Low | 107 Ų | 107 | 102.5 Ų | 102.5 | 56% | 0.56 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -69.8 | -32.4 | 175.4 | -65.1 | 176.1 | 0 | 0 | 0 | 112.2 | Q198 L205 A206 | Q198-L202 PolarHBondContact O-N 3.47Å; L202-L205 PolarHBondContact O-N 2.94Å; L202-A206 VanDerWaalsContact O-CB 3.29Å; L202-A206 WeakPolarHBondContact O-CB 3.34Å; L202-A206 PolarHBondContact O-N 3.49Å |
| 203 | N | 63.2 | Low | 56.8 | Low | 113 Ų | 113 | 104.5 Ų | 104.5 | 60% | 0.604 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -73.2 | -32.3 | 176.6 | -160.2 | 25.1 | 0 | 0 | 0 | 112.4 | H199 A207 | H199-N203 WeakPolarHBondContact O-CB 3Å; H199-N203 PolarHBondContact O-N 3.45Å; N203-A207 WeakPolarHBondContact O-CB 3.27Å; N203-A207 PolarHBondContact O-N 2.97Å |
| 204 | L | 62.8 | Low | 56.9 | Low | 130 Ų | 130 | 111.3 Ų | 111.3 | 68% | 0.681 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -69.9 | -39.4 | 170.8 | -76.3 | -176.8 | 0 | 0 | 0 | 112.7 | H200 H201 A207 L208 | H200-L204 WeakPolarHBondContact O-CG 3.47Å; H200-L204 PolarHBondContact O-N 3.13Å; H201-L204 PolarHBondContact O-N 3.47Å; L204-A207 PolarHBondContact O-N 3.48Å; L204-L208 PolarHBondContact O-N 3.4Å |
| 205 | L | 59.8 | Low | 57.1 | Low | 94 Ų | 94 | 108.3 Ų | 108.3 | 49% | 0.492 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -66.8 | -36.4 | 173.4 | -77.1 | 167.9 | 0 | 0 | 0 | 112.3 | H201 L202 L208 S209 | H201-L205 PolarHBondContact O-N 3.24Å; H201-L205 VanDerWaalsContact O-N 3.13Å; L202-L205 PolarHBondContact O-N 2.94Å; L205-L208 PolarHBondContact O-N 2.91Å; L205-S209 VanDerWaalsContact O-CB 3.27Å; L205-S209 WeakPolarHBondContact O-CB 3.29Å; L205-S209 PolarHBondContact O-N 2.94Å |
| 206 | A | 65 | Low | 57.5 | Low | 59 Ų | 59 | 114.3 Ų | 114.3 | 49% | 0.488 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -68.6 | -37.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | L202 S209 G210 | L202-A206 VanDerWaalsContact O-CB 3.29Å; L202-A206 WeakPolarHBondContact O-CB 3.34Å; L202-A206 PolarHBondContact O-N 3.49Å; A206-S209 PolarHBondContact O-N 3.49Å; A206-G210 PolarHBondContact O-N 3.01Å |
| 207 | A | 66.5 | Low | 57.6 | Low | 60 Ų | 60 | 116 Ų | 116 | 50% | 0.496 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -66.4 | -37.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | N203 L204 A211 | N203-A207 WeakPolarHBondContact O-CB 3.27Å; N203-A207 PolarHBondContact O-N 2.97Å; L204-A207 PolarHBondContact O-N 3.48Å; A207-A211 PolarHBondContact O-N 3.21Å |
| 208 | L | 65.9 | Low | 57.7 | Low | 132 Ų | 132 | 121.5 Ų | 121.5 | 69% | 0.691 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -72.1 | -38.2 | 175.9 | -145.1 | 83.4 | 0 | 0 | 0 | 112.1 | L204 L205 A211 A212 | L204-L208 PolarHBondContact O-N 3.4Å; L205-L208 PolarHBondContact O-N 2.91Å; L208-A211 PolarHBondContact O-N 3.39Å; L208-A212 PolarHBondContact O-N 3.19Å |
| 209 | S | 64.3 | Low | 57.9 | Low | 81 Ų | 81 | 121.5 Ų | 121.5 | 57% | 0.566 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -68.5 | -34.2 | 176.6 | -175.3 | 0 | 0 | 0 | 0 | 112.6 | L205 A206 | L205-S209 VanDerWaalsContact O-CB 3.27Å; L205-S209 WeakPolarHBondContact O-CB 3.29Å; L205-S209 PolarHBondContact O-N 2.94Å; A206-S209 PolarHBondContact O-N 3.49Å |
| 210 | G | 57.8 | Low | 57.8 | Low | 42 Ų | 42 | 131.3 Ų | 131.3 | 43% | 0.433 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -72.1 | -32.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | A206 R213 | A206-G210 PolarHBondContact O-N 3.01Å; G210-R213 PolarHBondContact O-N 3.48Å |
| 211 | A | 55.5 | Low | 58 | Low | 66 Ų | 66 | 131.2 Ų | 131.2 | 55% | 0.545 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -71.5 | -35.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A207 L208 R213 R214 | A207-A211 PolarHBondContact O-N 3.21Å; L208-A211 PolarHBondContact O-N 3.39Å; A211-R213 PolarHBondContact O-N 3.26Å; A211-R214 PolarHBondContact O-N 3.29Å |
| 212 | A | 53.8 | Low | 58.1 | Low | 77 Ų | 77 | 131.6 Ų | 131.6 | 64% | 0.636 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -67.6 | -19.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L208 | L208-A212 PolarHBondContact O-N 3.19Å |
| 213 | R | 54.5 | Low | 58 | Low | 219 Ų | 219 | 132.9 Ų | 132.9 | 83% | 0.826 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -7.2 | 177.3 | -80.4 | -96 | -178.5 | 174.9 | -2.6 | 113.9 | G210 A211 | G210-R213 PolarHBondContact O-N 3.48Å; A211-R213 PolarHBondContact O-N 3.26Å |
| 214 | R | 52.5 | Low | 57.7 | Low | 228 Ų | 228 | 134.1 Ų | 134.1 | 86% | 0.86 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -99.9 | 5.8 | -179.6 | -94.6 | -164.5 | 175.7 | 131 | -0.1 | 115.2 | A211 | A211-R214 PolarHBondContact O-N 3.29Š|
| 215 | A | 53.9 | Low | 57.4 | Low | 85 Ų | 85 | 134.4 Ų | 134.4 | 70% | 0.702 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -100.4 | 4.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 216 | E | 57.6 | Low | 57.2 | Low | 180 Ų | 180 | 137.1 Ų | 137.1 | 84% | 0.841 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -116.1 | 9 | -175.8 | -82.7 | -92 | 143.3 | 0 | 0 | 113.7 | ||
| 217 | E | 55.3 | Low | 56.6 | Low | 186 Ų | 186 | 142.6 Ų | 142.6 | 87% | 0.869 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -127.3 | 48.8 | -178.6 | -157.9 | 170.2 | 167.5 | 0 | 0 | 111.4 | ||
| 218 | E | 52.4 | Low | 55.9 | Low | 185 Ų | 185 | 149 Ų | 149 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -141.8 | 47.8 | 170.3 | -163.1 | 163.5 | 134.5 | 0 | 0 | 110.7 | ||
| 219 | T | 53.6 | Low | 55 | Low | 135 Ų | 135 | 150.4 Ų | 150.4 | 83% | 0.828 | 77% | 0.765 | S | S | * | * | trans | -153 | 68.1 | 169.3 | 52.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 220 | R | 49.3 | Very low | 54.2 | Low | 321 Ų | 321 | 156.7 Ų | 156.7 | 100% | 1.211 | 78% | 0.783 | S | S | * | * | trans | -162.9 | 0 | 154.2 | -150.7 | 172.1 | 175.1 | -162.2 | -2.9 | 113 |
Retrieved 220 of 220 residues in 229.3 ms
(Link to these results)