| 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 | 36.3 | Very low | 35.7 | Very low | 250 Ų | 250 | 169.8 Ų | 169.8 | 100% | 1.232 | 88% | 0.876 | S | S | * | * | 0 | 130.6 | 0 | -55.6 | -162.8 | 178.5 | 0 | 0 | 108.4 | |||||
| 2 | A | 35 | Very low | 35.6 | Very low | 84 Ų | 84 | 165.3 Ų | 165.3 | 69% | 0.694 | 87% | 0.87 | S | S | * | * | cis | -158.9 | 132 | -10.6 | 0 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 3 | L | 32.3 | Very low | 35.3 | Very low | 142 Ų | 142 | 164.8 Ų | 164.8 | 74% | 0.743 | 87% | 0.867 | S | S | * | * | 47.8 | 113.1 | 108 | -89.3 | 114.9 | 0 | 0 | 0 | 114.4 | |||||
| 4 | W | 35 | Very low | 35 | Very low | 239 Ų | 239 | 161.9 Ų | 161.9 | 91% | 0.905 | 87% | 0.867 | S | S | * | * | 106.8 | 163.3 | 77 | -99.7 | 30.4 | 0 | 0 | 0 | 112.2 | |||||
| 5 | A | 36.3 | Very low | 35 | Very low | 92 Ų | 92 | 161.7 Ų | 161.7 | 76% | 0.76 | 87% | 0.865 | S | S | * | * | trans | 84.4 | 112.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 6 | L | 36.6 | Very low | 35.1 | Very low | 159 Ų | 159 | 157.6 Ų | 157.6 | 83% | 0.832 | 86% | 0.861 | S | S | * | * | cis | 70.3 | 94.4 | 34.5 | -132.4 | 166.4 | 0 | 0 | 0 | 112.6 | ||||
| 7 | T | 42.7 | Very low | 35.9 | Very low | 143 Ų | 143 | 155.5 Ų | 155.5 | 88% | 0.877 | 86% | 0.856 | S | S | * | * | trans | -131.1 | 110.3 | 165.7 | 46.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 8 | R | 33.5 | Very low | 36.3 | Very low | 236 Ų | 236 | 153.5 Ų | 153.5 | 89% | 0.891 | 85% | 0.852 | S | S | * | * | trans | -69.3 | 140.4 | 163.4 | -88.3 | 172.2 | 159.1 | 174.3 | -6.3 | 109.6 | ||||
| 9 | A | 38.5 | Very low | 36.3 | Very low | 107 Ų | 107 | 153.2 Ų | 153.2 | 88% | 0.884 | 85% | 0.854 | S | S | * | * | trans | -108 | 124.3 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 10 | L | 34.8 | Very low | 36.4 | Very low | 168 Ų | 168 | 152.8 Ų | 152.8 | 88% | 0.88 | 86% | 0.856 | S | S | * | * | trans | -94.8 | 138.5 | 172.2 | -87.2 | 151.4 | 0 | 0 | 0 | 109.7 | ||||
| 11 | R | 31.4 | Very low | 36.3 | Very low | 248 Ų | 248 | 150.3 Ų | 150.3 | 94% | 0.936 | 86% | 0.855 | S | S | * | * | trans | 176.7 | 134.8 | 150.6 | -102.5 | 174.8 | -177.4 | -153.2 | 0.4 | 105.9 | ||||
| 12 | S | 34.3 | Very low | 36.3 | Very low | 115 Ų | 115 | 142.9 Ų | 142.9 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | cis | -167.6 | 146.4 | 8.1 | 38.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 13 | L | 31.9 | Very low | 36.8 | Very low | 160 Ų | 160 | 144.9 Ų | 144.9 | 84% | 0.838 | 84% | 0.839 | S | S | * | * | trans | -71.3 | 150.4 | 173.8 | -76.5 | 126.2 | 0 | 0 | 0 | 112.7 | L15 | L13-L15 HydrophobicContact CD2-CD1 4.34Š| ||
| 14 | S | 31.7 | Very low | 37.1 | Very low | 123 Ų | 123 | 142.3 Ų | 142.3 | 86% | 0.86 | 84% | 0.838 | S | S | * | * | trans | -148.3 | 119.4 | 136.4 | 75.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 15 | L | 34.8 | Very low | 37.8 | Very low | 160 Ų | 160 | 136.6 Ų | 136.6 | 84% | 0.838 | 83% | 0.832 | S | S | * | * | trans | -104.2 | 143.2 | 168.8 | -85.4 | 156.2 | 0 | 0 | 0 | 108.1 | L13 | L13-L15 HydrophobicContact CD2-CD1 4.34Š| ||
| 16 | A | 36.3 | Very low | 37.5 | Very low | 96 Ų | 96 | 137.3 Ų | 137.3 | 79% | 0.793 | 83% | 0.831 | S | S | * | * | trans | -142 | 152.1 | 160.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 17 | P | 49 | Very low | 37.3 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 79% | 0.792 | 83% | 0.831 | S | S | * | * | trans | -103.2 | 177.4 | -145.5 | 39.9 | -34.2 | 0 | 0 | 0 | 114.9 | ||||
| 18 | P | 43.9 | Very low | 36.6 | Very low | 119 Ų | 119 | 139.5 Ų | 139.5 | 77% | 0.773 | 83% | 0.829 | S | S | * | * | trans | -95.6 | 155.6 | -173.9 | 37 | -30.7 | 0 | 0 | 0 | 113.1 | ||||
| 19 | T | 35.7 | Very low | 37.1 | Very low | 147 Ų | 147 | 134.1 Ų | 134.1 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | trans | -126.3 | 124.7 | 168 | 48.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 20 | V | 38.9 | Very low | 36.8 | Very low | 146 Ų | 146 | 133.3 Ų | 133.3 | 89% | 0.885 | 82% | 0.818 | S | S | * | * | trans | -102.6 | 136.8 | 174.6 | 169 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 21 | A | 32.8 | Very low | 36.8 | Very low | 101 Ų | 101 | 130.3 Ų | 130.3 | 84% | 0.835 | 82% | 0.818 | S | S | * | * | trans | -167.3 | 121.8 | 147.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 22 | A | 37.4 | Very low | 36.9 | Very low | 93 Ų | 93 | 126.9 Ų | 126.9 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | trans | -93.9 | 174.2 | 158.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 23 | P | 45.2 | Very low | 36.9 | Very low | 127 Ų | 127 | 130.5 Ų | 130.5 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | cis | -144.4 | 179.7 | 39.4 | 34.9 | -10.1 | 0 | 0 | 0 | 117.2 | ||||
| 24 | A | 37.7 | Very low | 36.9 | Very low | 88 Ų | 88 | 128.4 Ų | 128.4 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | trans | -71.9 | -166.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 25 | P | 50.3 | Low | 37.1 | Very low | 119 Ų | 119 | 130.4 Ų | 130.4 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | cis | -143.8 | 178.1 | 1.1 | 41.7 | -21.5 | 0 | 0 | 0 | 116.6 | ||||
| 26 | S | 31.1 | Very low | 37.3 | Very low | 107 Ų | 107 | 130.5 Ų | 130.5 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | trans | 167.3 | 113.4 | 145.9 | 55.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 27 | L | 30.4 | Very low | 37.3 | Very low | 157 Ų | 157 | 130.1 Ų | 130.1 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | 71.8 | 103.9 | 87.6 | -72.5 | 166.8 | 0 | 0 | 0 | 116 | |||||
| 28 | F | 30 | Very low | 36.6 | Very low | 191 Ų | 191 | 131.6 Ų | 131.6 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | trans | 26.4 | 161.7 | 140.4 | -66.1 | -70.8 | 0 | 0 | 0 | 122.5 | ||||
| 29 | P | 43.6 | Very low | 36.2 | Very low | 122 Ų | 122 | 134 Ų | 134 | 79% | 0.792 | 82% | 0.817 | S | S | * | * | cis | -143.1 | 179.9 | 23.9 | 38.4 | -15.2 | 0 | 0 | 0 | 118.8 | ||||
| 30 | A | 30.7 | Very low | 36.3 | Very low | 91 Ų | 91 | 135.2 Ų | 135.2 | 75% | 0.752 | 81% | 0.813 | S | S | * | * | trans | -29.1 | 144.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 31 | A | 36.5 | Very low | 36.3 | Very low | 105 Ų | 105 | 136.1 Ų | 136.1 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | trans | -139.4 | 115.2 | 139 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 32 | Q | 33.3 | Very low | 36.3 | Very low | 175 Ų | 175 | 137.8 Ų | 137.8 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -77.2 | 132.5 | 170.4 | -68.6 | 170.4 | -38.1 | 0 | 0 | 109.2 | ||||
| 33 | M | 33.2 | Very low | 36.3 | Very low | 191 Ų | 191 | 138.4 Ų | 138.4 | 94% | 0.941 | 81% | 0.808 | S | S | * | * | trans | -136.7 | 112.5 | 153.3 | -90.8 | -82.7 | 135.3 | 0 | 0 | 107.1 | ||||
| 34 | V | 32.9 | Very low | 36 | Very low | 117 Ų | 117 | 135.8 Ų | 135.8 | 71% | 0.709 | 80% | 0.798 | S | S | * | * | trans | -66.9 | 132.3 | 177.3 | 175.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 35 | N | 34.8 | Very low | 36 | Very low | 164 Ų | 164 | 139.9 Ų | 139.9 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | trans | -154.5 | 106 | 141.7 | -102.1 | -17.6 | 0 | 0 | 0 | 110.3 | A37 | N35-A37 PolarHBondContact O-N 2.97Š| ||
| 36 | N | 39.9 | Very low | 35.5 | Very low | 162 Ų | 162 | 142.2 Ų | 142.2 | 87% | 0.866 | 81% | 0.809 | S | S | * | * | trans | -72.8 | 113.1 | 164.5 | -96.1 | -18.3 | 0 | 0 | 0 | 108.6 | ||||
| 37 | A | 35.4 | Very low | 35.9 | Very low | 88 Ų | 88 | 144.9 Ų | 144.9 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | trans | -172.3 | 130.6 | 142.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | N35 | N35-A37 PolarHBondContact O-N 2.97Š| ||
| 38 | L | 34.9 | Very low | 36.5 | Very low | 154 Ų | 154 | 144.8 Ų | 144.8 | 81% | 0.806 | 81% | 0.813 | S | S | * | * | trans | 77.5 | 72.3 | 163 | -61.6 | 159.4 | 0 | 0 | 0 | 116.8 | Q40 | L38-Q40 PolarHBondContact O-N 2.93Å; L38-Q40 VanDerWaalsContact O-N 3.07Å | ||
| 39 | L | 36.3 | Very low | 37 | Very low | 168 Ų | 168 | 141.1 Ų | 141.1 | 88% | 0.88 | 81% | 0.809 | S | S | * | * | trans | -55.2 | 99.2 | 142.5 | -84.6 | 159.2 | 0 | 0 | 0 | 109.9 | ||||
| 40 | Q | 38 | Very low | 36.9 | Very low | 173 Ų | 173 | 141.1 Ų | 141.1 | 81% | 0.808 | 81% | 0.81 | S | S | * | * | trans | -134.3 | 98.9 | 153.1 | -81 | -174 | -21.7 | 0 | 0 | 109 | L38 | L38-Q40 PolarHBondContact O-N 2.93Å; L38-Q40 VanDerWaalsContact O-N 3.07Å | ||
| 41 | Q | 37.3 | Very low | 37.3 | Very low | 166 Ų | 166 | 147.7 Ų | 147.7 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | trans | -62.3 | 137.8 | 162.7 | -65.8 | -168.8 | -31.8 | 0 | 0 | 108.9 | S43 | Q41-S43 VanDerWaalsContact C-N 3.29Å; Q41-S43 PolarHBondContact O-N 3.43Å | ||
| 42 | P | 34.4 | Very low | 37.4 | Very low | 135 Ų | 135 | 147.8 Ų | 147.8 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | trans | -72.9 | 91.7 | 166.5 | 29.1 | -29.6 | 0 | 0 | 0 | 108 | A44 | P42-A44 PolarHBondContact O-N 2.78Š| ||
| 43 | S | 37.2 | Very low | 38 | Very low | 107 Ų | 107 | 146.7 Ų | 146.7 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | trans | -70.6 | 119.7 | 172.7 | 39.1 | 0 | 0 | 0 | 0 | 109.9 | Q41 | Q41-S43 VanDerWaalsContact C-N 3.29Å; Q41-S43 PolarHBondContact O-N 3.43Å | ||
| 44 | A | 38.1 | Very low | 38.3 | Very low | 72 Ų | 72 | 143.9 Ų | 143.9 | 60% | 0.595 | 79% | 0.793 | S | S | * | * | trans | 52 | 101.1 | 155.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | P42 M46 | P42-A44 PolarHBondContact O-N 2.78Å; A44-M46 VanDerWaalsContact C-N 3.33Å; A44-M46 PolarHBondContact O-N 3.48Å | ||
| 45 | L | 38.2 | Very low | 39 | Very low | 174 Ų | 174 | 144.9 Ų | 144.9 | 91% | 0.911 | 80% | 0.8 | S | S | * | * | trans | -44.4 | 101.6 | 144.8 | -112.6 | 144 | 0 | 0 | 0 | 108.2 | L47 | L45-L47 VanDerWaalsContact C-N 3.27Å; L45-L47 PolarHBondContact O-N 3.05Å | ||
| 46 | M | 39.5 | Very low | 39.9 | Very low | 168 Ų | 168 | 141.7 Ų | 141.7 | 83% | 0.828 | 79% | 0.79 | S | S | * | * | trans | -63.9 | 91.3 | 174.4 | -77.2 | -75.9 | 175.1 | 0 | 0 | 107.7 | A44 L48 | A44-M46 VanDerWaalsContact C-N 3.33Å; A44-M46 PolarHBondContact O-N 3.48Å; M46-L48 PolarHBondContact O-N 3.41Å | ||
| 47 | L | 40 | Very low | 40.4 | Very low | 162 Ų | 162 | 140.2 Ų | 140.2 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | trans | -52.1 | 109.6 | 161.5 | -80 | 163 | 0 | 0 | 0 | 106.4 | L45 P49 | L45-L47 VanDerWaalsContact C-N 3.27Å; L45-L47 PolarHBondContact O-N 3.05Å; L47-P49 VanDerWaalsContact O-N 3.11Å | ||
| 48 | L | 42.4 | Very low | 41.1 | Very low | 156 Ų | 156 | 139.3 Ų | 139.3 | 82% | 0.817 | 78% | 0.78 | S | S | * | * | trans | -42.6 | 122.9 | 169.1 | -78.6 | 159.3 | 0 | 0 | 0 | 107.5 | M46 C50 | M46-L48 PolarHBondContact O-N 3.41Å; L48-C50 PolarHBondContact O-N 3.06Å | ||
| 49 | P | 39.9 | Very low | 41.9 | Very low | 114 Ų | 114 | 137.6 Ų | 137.6 | 74% | 0.74 | 77% | 0.771 | S | S | * | * | trans | -57.3 | 113.5 | 180 | 21.8 | -30.9 | 0 | 0 | 0 | 106.8 | L47 R51 | L47-P49 VanDerWaalsContact O-N 3.11Å; P49-R51 PolarHBondContact O-N 3.25Å | ||
| 50 | C | 42.3 | Very low | 42.9 | Very low | 122 Ų | 122 | 136.9 Ų | 136.9 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | trans | -51.8 | 109.6 | 170.3 | -74 | 0 | 0 | 0 | 0 | 105.7 | L48 P52 | L48-C50 PolarHBondContact O-N 3.06Å; C50-P52 VanDerWaalsContact O-CD 3.32Å; C50-P52 WeakPolarHBondContact O-CD 3.35Å | ||
| 51 | R | 38.7 | Very low | 44.1 | Very low | 229 Ų | 229 | 131.1 Ų | 131.1 | 86% | 0.864 | 75% | 0.75 | S | S | * | * | trans | -48.9 | 117.9 | -179.6 | -74.5 | -171.7 | 177.6 | -158.2 | 0.2 | 106.9 | P49 I53 | P49-R51 PolarHBondContact O-N 3.25Å; R51-I53 PolarHBondContact O-N 3.43Å | ||
| 52 | P | 38.3 | Very low | 46.5 | Very low | 106 Ų | 106 | 131 Ų | 131 | 69% | 0.688 | 75% | 0.754 | S | S | * | * | trans | -59.1 | 120.2 | 170.7 | 24.1 | -29.9 | 0 | 0 | 0 | 105.2 | C50 L54 | C50-P52 VanDerWaalsContact O-CD 3.32Å; C50-P52 WeakPolarHBondContact O-CD 3.35Å; P52-L54 PolarHBondContact O-N 2.79Å | ||
| 53 | I | 46.7 | Very low | 49.1 | Very low | 153 Ų | 153 | 129.6 Ų | 129.6 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | trans | -64.7 | 92.7 | 168.8 | -63.9 | 171.8 | 0 | 0 | 0 | 104.3 | R51 T55 | R51-I53 PolarHBondContact O-N 3.43Å; I53-T55 PolarHBondContact O-N 3.48Å | ||
| 54 | L | 38.8 | Very low | 51.8 | Low | 131 Ų | 131 | 129.7 Ų | 129.7 | 69% | 0.686 | 73% | 0.73 | S | S | * | * | trans | -54.3 | 106.1 | 172.7 | -79.3 | 162.2 | 0 | 0 | 0 | 107.3 | P52 S56 | P52-L54 PolarHBondContact O-N 2.79Å; L54-S56 PolarHBondContact O-N 2.8Å | ||
| 55 | T | 48 | Very low | 54.5 | Low | 138 Ų | 138 | 128.6 Ų | 128.6 | 85% | 0.847 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -82.1 | 7.2 | 177 | 43.6 | 0 | 0 | 0 | 0 | 113.1 | I53 | I53-T55 PolarHBondContact O-N 3.48Š|
| 56 | S | 53.9 | Low | 57.3 | Low | 97 Ų | 97 | 123.1 Ų | 123.1 | 68% | 0.678 | 69% | 0.686 | S | S | * | * | trans | -140.5 | 80 | 177.4 | 58.8 | 0 | 0 | 0 | 0 | 111 | L54 | L54-S56 PolarHBondContact O-N 2.8Š| ||
| 57 | V | 50.1 | Low | 60 | Low | 132 Ų | 132 | 122.6 Ų | 122.6 | 80% | 0.8 | 68% | 0.679 | S | S | * | * | trans | -96.3 | 115.3 | 152.7 | 179.9 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 58 | A | 51 | Low | 62.6 | Low | 69 Ų | 69 | 119.4 Ų | 119.4 | 57% | 0.57 | 67% | 0.67 | S | S | * | * | trans | -108.7 | 144.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 59 | L | 51.9 | Low | 65.2 | Low | 118 Ų | 118 | 118.5 Ų | 118.5 | 62% | 0.618 | 66% | 0.656 | S | S | * | * | S | Bend | cis | -161.4 | 160.9 | 15.8 | -85.5 | 138.3 | 0 | 0 | 0 | 105.6 | ||
| 60 | N | 55.9 | Low | 67.9 | Low | 152 Ų | 152 | 119.6 Ų | 119.6 | 81% | 0.813 | 66% | 0.661 | S | S | * | * | trans | 75.9 | 63.8 | -169.3 | -61.5 | -18.8 | 0 | 0 | 0 | 115.1 | N62 | N60-N62 PolarHBondContact O-N 2.89Š| ||
| 61 | A | 63.8 | Low | 70.5 | Confident | 52 Ų | 52 | 121.8 Ų | 121.8 | 43% | 0.43 | 66% | 0.656 | S | S | . | * | trans | -71.3 | 124.3 | 161 | 0 | 0 | 0 | 0 | 0 | 109.5 | F63 | A61-F63 PolarHBondContact O-N 2.91Š| ||
| 62 | N | 87.1 | Confident | 73.2 | Confident | 163 Ų | 163 | 114.8 Ų | 114.8 | 87% | 0.872 | 63% | 0.63 | S | S | * | * | trans | -70.6 | 66.9 | 169.3 | -70.1 | -18.9 | 0 | 0 | 0 | 110.2 | N60 V64 | N60-N62 PolarHBondContact O-N 2.89Å; N62-V64 PolarHBondContact O-N 2.87Å | ||
| 63 | F | 90.6 | Very high | 76 | Confident | 107 Ų | 107 | 111.6 Ų | 111.6 | 47% | 0.469 | 61% | 0.609 | S | S | . | * | trans | -81.7 | 109.4 | 178.2 | 176.6 | -97.6 | 0 | 0 | 0 | 110.3 | A61 H87 | A61-F63 PolarHBondContact O-N 2.91Å; F63-H87 HydrophobicContact CB-CB 4.32Å; F63-H87 HydrophobicContact CD1-CB 3.86Å; F63-H87 HydrophobicContact CG-CB 4.4Å | ||
| 64 | V | 93.4 | Very high | 78.5 | Confident | 108 Ų | 108 | 107.6 Ų | 107.6 | 66% | 0.655 | 59% | 0.588 | S | S | * | * | trans | -103 | 123.4 | 168 | -176.1 | 0 | 0 | 0 | 0 | 109.1 | N62 | N62-V64 PolarHBondContact O-N 2.87Š| ||
| 65 | S | 94.9 | Very high | 81.2 | Confident | 50 Ų | 50 | 103.8 Ų | 103.8 | 35% | 0.35 | 58% | 0.576 | S | S | . | * | trans | -65.2 | 136 | 175.9 | -179.1 | 0 | 0 | 0 | 0 | 110.6 | K67 | S65-K67 PolarHBondContact O-N 2.81Å; S65-K67 PolarHBondContact OG-N 2.77Å | ||
| 66 | W | 95.5 | Very high | 83.6 | Confident | 59 Ų | 59 | 99.1 Ų | 99.1 | 22% | 0.223 | 55% | 0.548 | C | S | . | . | S | Bend | trans | -68.7 | -11.7 | 173.8 | 68.7 | -92 | 0 | 0 | 0 | 113 | S68 M79 R80 Y104 | W66-S68 PolarHBondContact O-N 2.91Å; W66-M79 HydrophobicContact CD2-CB 3.83Å; W66-M79 HydrophobicContact CE3-CB 3.91Å; W66-M79 HydrophobicContact CH2-CB 3.9Å; W66-M79 HydrophobicContact CZ2-CB 3.78Å; W66-M79 HydrophobicContact CZ2-CE 4.12Å; W66-M79 HydrophobicContact CZ3-CB 3.95Å; W66-R80 HydrophobicContact CB-CB 4.37Å; W66-R80 HydrophobicContact CB-CG 4.49Å; W66-R80 HydrophobicContact CG-CB 4.5Å; W66-R80 PolarHBondContact NE1-O 2.78Å; W66-Y104 AromaticContact CH2-CD1 3.73Å; W66-Y104 HydrophobicContact CH2-CD1 3.73Å; W66-Y104 HydrophobicContact CH2-CD2 4Å; W66-Y104 HydrophobicContact CH2-CE1 4.35Å; W66-Y104 AromaticContact CH2-CG 3.52Å; W66-Y104 HydrophobicContact CH2-CG 3.52Å; W66-Y104 AromaticContact CZ3-CD1 3.84Å; W66-Y104 HydrophobicContact CZ3-CD1 3.84Å; W66-Y104 AromaticContact CZ3-CG 3.96Å; W66-Y104 HydrophobicContact CZ3-CG 3.96Å |
| 67 | K | 96.3 | Very high | 85.7 | Confident | 156 Ų | 156 | 95.6 Ų | 95.6 | 68% | 0.678 | 52% | 0.522 | S | S | * | . | trans | -82.9 | 53.5 | -178.3 | -55.8 | 176.5 | -177.4 | 177.1 | 0 | 111.5 | S65 | S65-K67 PolarHBondContact O-N 2.81Å; S65-K67 PolarHBondContact OG-N 2.77Å | ||
| 68 | S | 95.4 | Very high | 88 | Confident | 95 Ų | 95 | 98.2 Ų | 98.2 | 66% | 0.664 | 52% | 0.523 | S | S | * | . | trans | -103.4 | -5.5 | -178.2 | 56.3 | 0 | 0 | 0 | 0 | 113.8 | W66 T70 | W66-S68 PolarHBondContact O-N 2.91Å; S68-T70 PolarHBondContact O-N 2.81Å | ||
| 69 | R | 96 | Very high | 90.1 | Very high | 137 Ų | 137 | 97.2 Ų | 97.2 | 52% | 0.517 | 51% | 0.507 | S | S | . | . | trans | -68.6 | 129.4 | -178.5 | 178.7 | 169.1 | -73.9 | -109.8 | -5.7 | 110.9 | K71 T73 M106 | R69-K71 WeakPolarHBondContact CD-O 3.47Å; R69-K71 VanDerWaalsContact CG-O 3.24Å; R69-K71 WeakPolarHBondContact CG-O 3.45Å; R69-T73 PolarHBondContact NH1-OG1 3.47Å; R69-M106 HydrophobicContact CG-SD 4.36Å | ||
| 70 | T | 96.8 | Very high | 92.2 | Very high | 137 Ų | 137 | 100.4 Ų | 100.4 | 84% | 0.84 | 51% | 0.511 | S | S | * | . | trans | -94.9 | -45.2 | -178.8 | 51.6 | 0 | 0 | 0 | 0 | 112.8 | S68 | S68-T70 PolarHBondContact O-N 2.81Š| ||
| 71 | K | 96.8 | Very high | 94.1 | Very high | 168 Ų | 168 | 97.1 Ų | 97.1 | 73% | 0.73 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -86.8 | 142.5 | -179 | -63.8 | -173.3 | -180 | -175.7 | 0 | 112.3 | R69 | R69-K71 WeakPolarHBondContact CD-O 3.47Å; R69-K71 VanDerWaalsContact CG-O 3.24Å; R69-K71 WeakPolarHBondContact CG-O 3.45Å |
| 72 | Y | 96.9 | Very high | 95.6 | Very high | 83 Ų | 83 | 98 Ų | 98 | 33% | 0.325 | 49% | 0.493 | S | S | . | . | trans | -66 | 142.2 | 174.3 | -178.1 | -92 | 0 | 0 | 0 | 111.3 | I74 M106 R149 W150 | Y72-I74 HydrophobicContact CE1-CG2 3.97Å; Y72-M106 HydrophobicContact CD2-CB 3.99Å; Y72-M106 HydrophobicContact CD2-CE 4.25Å; Y72-M106 HydrophobicContact CE2-CB 3.68Å; Y72-M106 PolarHBondContact OH-O 2.9Å; Y72-R149 HydrophobicContact CE1-CB 4.06Å; Y72-R149 VanDerWaalsContact OH-CA 3.3Å; Y72-R149 WeakPolarHBondContact OH-CA 3.42Å; Y72-W150 PolarHBondContact OH-N 3.49Å | ||
| 73 | T | 97.3 | Very high | 96 | Very high | 39 Ų | 39 | 90.7 Ų | 90.7 | 24% | 0.239 | 46% | 0.456 | C | S | . | . | trans | -152.1 | 136.7 | 178.6 | -51.4 | 0 | 0 | 0 | 0 | 110.8 | R69 A75 M106 | R69-T73 PolarHBondContact NH1-OG1 3.47Å; T73-A75 HydrophobicContact CG2-CB 3.85Å; T73-M106 PolarHBondContact N-SD 3Å | ||
| 74 | I | 97.4 | Very high | 96.2 | Very high | 68 Ų | 68 | 85.9 Ų | 85.9 | 35% | 0.349 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -76.2 | -24.6 | 177.9 | 59.9 | 170.9 | 0 | 0 | 0 | 113.2 | Y72 L141 K148 W150 | Y72-I74 HydrophobicContact CE1-CG2 3.97Å; I74-L141 HydrophobicContact CG2-CD1 4.44Å; I74-K148 HydrophobicContact CG2-CB 4.2Å; I74-K148 VanDerWaalsContact CG2-O 3.28Å; I74-K148 WeakPolarHBondContact CG2-O 3.18Å; I74-W150 PolarHBondContact O-NE1 3.29Å |
| 75 | A | 97.2 | Very high | 96.3 | Very high | 52 Ų | 52 | 85.9 Ų | 85.9 | 43% | 0.43 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -65 | 136.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | T73 V77 | T73-A75 HydrophobicContact CG2-CB 3.85Å; A75-V77 PolarHBondContact O-N 2.81Å |
| 76 | P | 97.7 | Very high | 96.3 | Very high | 39 Ų | 39 | 85.7 Ų | 85.7 | 25% | 0.253 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 120.7 | 178.8 | -22.6 | 33.2 | 0 | 0 | 0 | 112.1 | R103 Y104 R105 | P76-R103 HydrophobicContact CB-CB 3.62Å; P76-R103 HydrophobicContact CB-CG 4.38Å; P76-Y104 CarbonylContact C-O 3.54Å; P76-Y104 WeakPolarHBondContact CA-O 3.43Å; P76-R105 HydrophobicContact CB-CG 4.43Å; P76-R105 HydrophobicContact CG-CG 4.45Å |
| 77 | V | 98.1 | Very high | 96.3 | Very high | 24 Ų | 24 | 89 Ų | 89 | 15% | 0.145 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 137.8 | -179.3 | -178.4 | 0 | 0 | 0 | 0 | 110 | A75 M79 R103 Y104 M106 | A75-V77 PolarHBondContact O-N 2.81Å; V77-M79 PolarHBondContact O-N 2.92Å; V77-R103 CarbonylContact O-C 3.43Å; V77-R103 WeakPolarHBondContact O-CA 3.49Å; V77-Y104 PolarHBondContact N-O 3.44Å; V77-Y104 PolarHBondContact O-N 2.93Å; V77-M106 HydrophobicContact CG2-CG 4.48Å; V77-M106 HydrophobicContact CG2-SD 4.48Å |
| 78 | K | 97.4 | Very high | 96.2 | Very high | 187 Ų | 187 | 84.1 Ų | 84.1 | 81% | 0.813 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 119.5 | 173 | -66.1 | 179.7 | -178.3 | 175.5 | 0 | 108.9 | ||
| 79 | M | 96.8 | Very high | 96 | Very high | 47 Ų | 47 | 81.5 Ų | 81.5 | 23% | 0.232 | 41% | 0.408 | C | S | . | . | trans | -108.5 | 144.8 | 176.5 | 65.3 | 171.4 | -64.3 | 0 | 0 | 111.3 | W66 V77 Q102 | W66-M79 HydrophobicContact CD2-CB 3.83Å; W66-M79 HydrophobicContact CE3-CB 3.91Å; W66-M79 HydrophobicContact CH2-CB 3.9Å; W66-M79 HydrophobicContact CZ2-CB 3.78Å; W66-M79 HydrophobicContact CZ2-CE 4.12Å; W66-M79 HydrophobicContact CZ3-CB 3.95Å; V77-M79 PolarHBondContact O-N 2.92Å; M79-Q102 HydrophobicContact CG-CB 4.49Å; M79-Q102 VanDerWaalsContact CG-O 3.29Å; M79-Q102 WeakPolarHBondContact CG-O 3.36Å; M79-Q102 HydrophobicContact SD-CB 4.05Å | ||
| 80 | R | 95.5 | Very high | 95.9 | Very high | 185 Ų | 185 | 82.5 Ų | 82.5 | 70% | 0.698 | 41% | 0.412 | S | S | * | . | trans | -101.9 | 130.8 | 172.9 | -63.2 | 176.1 | 72.1 | -167.4 | 4.3 | 109.1 | W66 | W66-R80 HydrophobicContact CB-CB 4.37Å; W66-R80 HydrophobicContact CB-CG 4.49Å; W66-R80 HydrophobicContact CG-CB 4.5Å; W66-R80 PolarHBondContact NE1-O 2.78Å | ||
| 81 | K | 95.4 | Very high | 95.8 | Very high | 84 Ų | 84 | 79.8 Ų | 79.8 | 37% | 0.365 | 39% | 0.391 | S | S | . | . | trans | -77.7 | 142.4 | 176.1 | -62.4 | -179.6 | -169.8 | -94.2 | 0 | 109.6 | G98 H100 | K81-G98 VanDerWaalsContact CD-O 3.24Å; K81-G98 WeakPolarHBondContact CD-O 3.2Å; K81-H100 WeakPolarHBondContact CE-O 3.22Å; K81-H100 PolarHBondContact NZ-O 2.81Å | ||
| 82 | S | 94.7 | Very high | 95.8 | Very high | 71 Ų | 71 | 81.3 Ų | 81.3 | 50% | 0.497 | 39% | 0.392 | S | S | . | . | trans | -83.7 | -28.5 | 177.7 | 61.4 | 0 | 0 | 0 | 0 | 113.6 | G84 | S82-G84 PolarHBondContact O-N 3.11Å; S82-G84 PolarHBondContact OG-N 3.42Å | ||
| 83 | G | 95.3 | Very high | 95.9 | Very high | 9 Ų | 9 | 81 Ų | 81 | 9% | 0.093 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.4 | 23.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | R85 I96 | G83-R85 WeakPolarHBondContact O-CD 3.33Å; G83-R85 PolarHBondContact O-NH1 2.76Å; G83-I96 CarbonylContact C-O 3.5Å |
| 84 | G | 95.8 | Very high | 95.8 | Very high | 5 Ų | 5 | 86.4 Ų | 86.4 | 5% | 0.052 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | 12.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | S82 R92 V93 | S82-G84 PolarHBondContact O-N 3.11Å; S82-G84 PolarHBondContact OG-N 3.42Å; G84-R92 PolarHBondContact O-N 2.74Å; G84-V93 WeakPolarHBondContact CA-O 3.38Å; G84-V93 PolarHBondContact O-N 3Å; G84-V93 VanDerWaalsContact O-N 3.09Å |
| 85 | R | 95.9 | Very high | 95.8 | Very high | 109 Ų | 109 | 84.2 Ų | 84.2 | 41% | 0.411 | 42% | 0.416 | S | S | . | . | B | Isolated β-bridge | trans | -94.9 | 151.5 | 174.7 | -68.5 | 70.7 | 166.7 | -166.5 | -8.4 | 111.3 | G83 G89 R90 I91 | G83-R85 WeakPolarHBondContact O-CD 3.33Å; G83-R85 PolarHBondContact O-NH1 2.76Å; R85-G89 WeakPolarHBondContact CG-O 3.41Å; R85-R90 WeakPolarHBondContact CA-O 3.41Å; R85-I91 HydrophobicContact CG-CG1 4.28Å |
| 86 | D | 95.2 | Very high | 95.9 | Very high | 45 Ų | 45 | 85.3 Ų | 85.3 | 24% | 0.241 | 41% | 0.413 | C | S | . | . | trans | -93.2 | -173 | 169.5 | 65.4 | 14.8 | 0 | 0 | 0 | 111.9 | T88 G89 R90 R92 | D86-T88 PolarHBondContact O-N 2.87Å; D86-T88 WeakPolarHBondContact OD1-CB 3.44Å; D86-T88 PolarHBondContact OD1-N 3.38Å; D86-T88 PolarHBondContact OD1-OG1 2.7Å; D86-G89 PolarHBondContact O-N 2.67Å; D86-G89 VanDerWaalsContact O-N 3.09Å; D86-G89 PolarHBondContact OD1-N 3.35Å; D86-R90 PolarHBondContact N-O 3.4Å; D86-R90 PolarHBondContact OD1-N 3.38Å; D86-R92 HydrophobicContact CB-CB 4.5Å | ||
| 87 | H | 94.4 | Very high | 95.7 | Very high | 130 Ų | 130 | 84 Ų | 84 | 60% | 0.602 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -22.9 | -179.1 | 64 | -91.1 | 0 | 0 | 0 | 113 | F63 G89 | F63-H87 HydrophobicContact CB-CB 4.32Å; F63-H87 HydrophobicContact CD1-CB 3.86Å; F63-H87 HydrophobicContact CG-CB 4.4Å; H87-G89 PolarHBondContact O-N 2.87Å |
| 88 | T | 93.7 | Very high | 95.6 | Very high | 52 Ų | 52 | 85.3 Ų | 85.3 | 32% | 0.319 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -13.6 | 175.4 | 74.3 | 0 | 0 | 0 | 0 | 112.5 | D86 R90 | D86-T88 PolarHBondContact O-N 2.87Å; D86-T88 WeakPolarHBondContact OD1-CB 3.44Å; D86-T88 PolarHBondContact OD1-N 3.38Å; D86-T88 PolarHBondContact OD1-OG1 2.7Å; T88-R90 VanDerWaalsContact C-N 3.34Å; T88-R90 PolarHBondContact OG1-N 2.86Å |
| 89 | G | 91.3 | Very high | 95.6 | Very high | 40 Ų | 40 | 77.8 Ų | 77.8 | 41% | 0.412 | 40% | 0.401 | S | S | . | . | S | Bend | trans | 89.4 | -5.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | R85 D86 H87 | R85-G89 WeakPolarHBondContact CG-O 3.41Å; D86-G89 PolarHBondContact O-N 2.67Å; D86-G89 VanDerWaalsContact O-N 3.09Å; D86-G89 PolarHBondContact OD1-N 3.35Å; H87-G89 PolarHBondContact O-N 2.87Å |
| 90 | R | 93.6 | Very high | 95.7 | Very high | 158 Ų | 158 | 82.2 Ų | 82.2 | 60% | 0.596 | 42% | 0.421 | S | S | * | . | trans | -76.4 | 149.5 | 177.7 | -66 | -179.4 | 177.4 | 175.7 | -0.2 | 111.3 | R85 D86 T88 R92 | R85-R90 WeakPolarHBondContact CA-O 3.41Å; D86-R90 PolarHBondContact N-O 3.4Å; D86-R90 PolarHBondContact OD1-N 3.38Å; T88-R90 VanDerWaalsContact C-N 3.34Å; T88-R90 PolarHBondContact OG1-N 2.86Å; R90-R92 PolarHBondContact O-N 3.37Å | ||
| 91 | I | 95.8 | Very high | 95.8 | Very high | 81 Ų | 81 | 82.5 Ų | 82.5 | 42% | 0.415 | 43% | 0.427 | S | S | . | . | B | Isolated β-bridge | trans | -73.7 | 117.7 | 175.3 | -63.5 | 174.2 | 0 | 0 | 0 | 108.5 | R85 | R85-I91 HydrophobicContact CG-CG1 4.28Å |
| 92 | R | 96.9 | Very high | 95.9 | Very high | 200 Ų | 200 | 80.9 Ų | 80.9 | 76% | 0.755 | 42% | 0.421 | S | S | * | . | trans | -102.9 | -29.9 | 174.3 | -172.2 | 172.6 | 179.4 | 178.7 | 1.4 | 112.3 | G84 D86 R90 | G84-R92 PolarHBondContact O-N 2.74Å; D86-R92 HydrophobicContact CB-CB 4.5Å; R90-R92 PolarHBondContact O-N 3.37Å | ||
| 93 | V | 97.7 | Very high | 96 | Very high | 76 Ų | 76 | 84.2 Ų | 84.2 | 46% | 0.461 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -129.4 | 118.3 | 179.7 | -174.6 | 0 | 0 | 0 | 0 | 109.6 | G84 I96 | G84-V93 WeakPolarHBondContact CA-O 3.38Å; G84-V93 PolarHBondContact O-N 3Å; G84-V93 VanDerWaalsContact O-N 3.09Å; V93-I96 HydrophobicContact CB-CD1 4.09Å; V93-I96 HydrophobicContact CG1-CD1 3.57Å; V93-I96 HydrophobicContact CG1-CG1 4.18Å |
| 94 | H | 97.1 | Very high | 96.2 | Very high | 152 Ų | 152 | 87 Ų | 87 | 70% | 0.704 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | 164.5 | 176.5 | -62.2 | -87.1 | 0 | 0 | 0 | 111.6 | I96 | H94-I96 VanDerWaalsContact C-N 3.28Å; H94-I96 PolarHBondContact O-N 3.17Å |
| 95 | G | 96.9 | Very high | 96.3 | Very high | 23 Ų | 23 | 87.9 Ų | 87.9 | 24% | 0.237 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | -0.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | K268 R269 | G95-K268 CarbonylContact O-C 3.5Å; G95-K268 WeakPolarHBondContact O-CA 3.36Å; G95-R269 PolarHBondContact O-N 2.86Å |
| 96 | I | 97.9 | Very high | 96.4 | Very high | 74 Ų | 74 | 84.3 Ų | 84.3 | 38% | 0.379 | 42% | 0.421 | S | S | . | . | B | Isolated β-bridge | trans | -107.6 | 132.8 | 180 | -56.3 | 179.5 | 0 | 0 | 0 | 110.3 | G83 V93 H94 R269 | G83-I96 CarbonylContact C-O 3.5Å; V93-I96 HydrophobicContact CB-CD1 4.09Å; V93-I96 HydrophobicContact CG1-CD1 3.57Å; V93-I96 HydrophobicContact CG1-CG1 4.18Å; H94-I96 VanDerWaalsContact C-N 3.28Å; H94-I96 PolarHBondContact O-N 3.17Å; I96-R269 VanDerWaalsContact O-CD 3.31Å; I96-R269 WeakPolarHBondContact O-CD 3.2Å |
| 97 | G | 95.1 | Very high | 96.5 | Very high | 11 Ų | 11 | 82.9 Ų | 82.9 | 11% | 0.113 | 41% | 0.413 | C | S | . | . | trans | 154.6 | 159.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | G267 | G97-G267 PolarHBondContact N-O 3.07Å; G97-G267 CarbonylContact O-C 3.43Å | ||
| 98 | G | 96 | Very high | 96.7 | Very high | 52 Ų | 52 | 77.3 Ų | 77.3 | 54% | 0.536 | 39% | 0.388 | S | S | . | . | trans | 68.7 | -135.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | K81 | K81-G98 VanDerWaalsContact CD-O 3.24Å; K81-G98 WeakPolarHBondContact CD-O 3.2Å | ||
| 99 | G | 96.9 | Very high | 96.9 | Very high | 29 Ų | 29 | 77.2 Ų | 77.2 | 30% | 0.299 | 38% | 0.383 | S | S | . | . | trans | 78.6 | 160.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | R264 W265 | G99-R264 VanDerWaalsContact CA-O 3.27Å; G99-R264 WeakPolarHBondContact CA-O 3.24Å; G99-R264 PolarHBondContact N-O 3.46Å; G99-W265 CarbonylContact C-O 3.58Å; G99-W265 VanDerWaalsContact CA-O 3.22Å; G99-W265 WeakPolarHBondContact CA-O 3.31Å | ||
| 100 | H | 98.1 | Very high | 97.2 | Very high | 141 Ų | 141 | 76.8 Ų | 76.8 | 65% | 0.653 | 37% | 0.371 | S | S | * | . | trans | -62.5 | 146.8 | 178.9 | -166.7 | -81.5 | 0 | 0 | 0 | 110.8 | K81 W265 | K81-H100 WeakPolarHBondContact CE-O 3.22Å; K81-H100 PolarHBondContact NZ-O 2.81Å; H100-W265 PolarHBondContact N-O 2.9Å | ||
| 101 | K | 97.8 | Very high | 97.3 | Very high | 190 Ų | 190 | 69.9 Ų | 69.9 | 83% | 0.826 | 35% | 0.345 | S | S | * | . | trans | -60.7 | 139.8 | 174.9 | -69.5 | -178.7 | -179.5 | 175 | 0 | 109.7 | ||||
| 102 | Q | 97.6 | Very high | 97.3 | Very high | 51 Ų | 51 | 67.4 Ų | 67.4 | 24% | 0.238 | 33% | 0.331 | C | S | . | . | trans | -131.7 | 152.5 | -175.6 | -72.1 | 166.8 | -33.4 | 0 | 0 | 109.7 | M79 P133 | M79-Q102 HydrophobicContact CG-CB 4.49Å; M79-Q102 VanDerWaalsContact CG-O 3.29Å; M79-Q102 WeakPolarHBondContact CG-O 3.36Å; M79-Q102 HydrophobicContact SD-CB 4.05Å; Q102-P133 HydrophobicContact CG-CB 4.05Å; Q102-P133 HydrophobicContact CG-CG 4.28Å; Q102-P133 PolarHBondContact NE2-O 2.99Å; Q102-P133 VanDerWaalsContact NE2-O 3.13Å | ||
| 103 | R | 97.8 | Very high | 97.2 | Very high | 141 Ų | 141 | 62.8 Ų | 62.8 | 53% | 0.532 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 134.4 | 170.1 | -63.8 | -173.3 | -67.1 | 170.7 | -6 | 108.1 | P76 V77 | P76-R103 HydrophobicContact CB-CB 3.62Å; P76-R103 HydrophobicContact CB-CG 4.38Å; V77-R103 CarbonylContact O-C 3.43Å; V77-R103 WeakPolarHBondContact O-CA 3.49Å |
| 104 | Y | 98.4 | Very high | 96.8 | Very high | 66 Ų | 66 | 61.6 Ų | 61.6 | 26% | 0.259 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 134.9 | 179.9 | 177.7 | -108.4 | 0 | 0 | 0 | 110.3 | W66 P76 V77 M106 C134 | W66-Y104 AromaticContact CH2-CD1 3.73Å; W66-Y104 HydrophobicContact CH2-CD1 3.73Å; W66-Y104 HydrophobicContact CH2-CD2 4Å; W66-Y104 HydrophobicContact CH2-CE1 4.35Å; W66-Y104 AromaticContact CH2-CG 3.52Å; W66-Y104 HydrophobicContact CH2-CG 3.52Å; W66-Y104 AromaticContact CZ3-CD1 3.84Å; W66-Y104 HydrophobicContact CZ3-CD1 3.84Å; W66-Y104 AromaticContact CZ3-CG 3.96Å; W66-Y104 HydrophobicContact CZ3-CG 3.96Å; P76-Y104 CarbonylContact C-O 3.54Å; P76-Y104 WeakPolarHBondContact CA-O 3.43Å; V77-Y104 PolarHBondContact N-O 3.44Å; V77-Y104 PolarHBondContact O-N 2.93Å; Y104-M106 HydrophobicContact CD1-CG 4.22Å; Y104-M106 HydrophobicContact CE1-CB 4.4Å; Y104-M106 HydrophobicContact CE1-CG 3.87Å; Y104-C134 HydrophobicContact CD2-CB 4.49Å |
| 105 | R | 98.1 | Very high | 96.4 | Very high | 25 Ų | 25 | 55.8 Ų | 55.8 | 9% | 0.094 | 28% | 0.281 | C | S | . | . | trans | -106.2 | 125.9 | 170.4 | -65.1 | 179.4 | -175.3 | 97.7 | -7 | 108.4 | P76 I107 Y131 D132 P133 I139 | P76-R105 HydrophobicContact CB-CG 4.43Å; P76-R105 HydrophobicContact CG-CG 4.45Å; R105-I107 HydrophobicContact CB-CD1 4.3Å; R105-I107 PolarHBondContact O-N 3.06Å; R105-Y131 PolarHBondContact NH1-O 2.83Å; R105-D132 IonicContact NH1-OD1 3.44Å; R105-D132 PolarHBondContact NH1-OD1 2.85Å; R105-P133 VanDerWaalsContact NH1-CD 3.26Å; R105-I139 HydrophobicContact CB-CD1 4.23Å; R105-I139 HydrophobicContact CG-CD1 4.46Å | ||
| 106 | M | 98.1 | Very high | 95.8 | Very high | 34 Ų | 34 | 64.7 Ų | 64.7 | 17% | 0.167 | 32% | 0.316 | C | S | . | . | trans | -69.8 | 123.9 | 176.7 | -61 | -179.6 | 74.1 | 0 | 0 | 108 | R69 Y72 T73 V77 Y104 W150 | R69-M106 HydrophobicContact CG-SD 4.36Å; Y72-M106 HydrophobicContact CD2-CB 3.99Å; Y72-M106 HydrophobicContact CD2-CE 4.25Å; Y72-M106 HydrophobicContact CE2-CB 3.68Å; Y72-M106 PolarHBondContact OH-O 2.9Å; T73-M106 PolarHBondContact N-SD 3Å; V77-M106 HydrophobicContact CG2-CG 4.48Å; V77-M106 HydrophobicContact CG2-SD 4.48Å; Y104-M106 HydrophobicContact CD1-CG 4.22Å; Y104-M106 HydrophobicContact CE1-CB 4.4Å; Y104-M106 HydrophobicContact CE1-CG 3.87Å; M106-W150 WeakPolarHBondContact O-CB 3.37Å | ||
| 107 | I | 98.3 | Very high | 95.1 | Very high | 15 Ų | 15 | 67.8 Ų | 67.8 | 8% | 0.077 | 34% | 0.339 | C | S | . | . | trans | -109.7 | 135.2 | 178.9 | -54.2 | -51.7 | 0 | 0 | 0 | 108.5 | R105 F109 I139 W150 | R105-I107 HydrophobicContact CB-CD1 4.3Å; R105-I107 PolarHBondContact O-N 3.06Å; I107-F109 HydrophobicContact CB-CE2 4.25Å; I107-F109 HydrophobicContact CB-CZ 4.19Å; I107-F109 HydrophobicContact CG2-CD1 4.32Å; I107-F109 HydrophobicContact CG2-CE1 4.08Å; I107-F109 HydrophobicContact CG2-CZ 4.2Å; I107-I139 HydrophobicContact CD1-CB 4.32Å; I107-I139 HydrophobicContact CD1-CD1 4.07Å; I107-I139 HydrophobicContact CD1-CG2 3.87Å; I107-W150 WeakPolarHBondContact CA-O 3.41Å; I107-W150 HydrophobicContact CD1-CB 3.34Å; I107-W150 HydrophobicContact CD1-CG 4.11Å; I107-W150 WeakPolarHBondContact CG2-O 3.4Å | ||
| 108 | D | 97.8 | Very high | 94.7 | Very high | 12 Ų | 12 | 72.9 Ų | 72.9 | 6% | 0.064 | 36% | 0.358 | C | S | . | . | trans | -88.2 | 109 | 171.7 | -162.7 | 7.4 | 0 | 0 | 0 | 109.6 | L110 R113 R149 W150 | D108-L110 PolarHBondContact OD1-N 2.93Å; D108-R113 IonicContact OD1-CZ 3.18Å; D108-R113 IonicContact OD1-NH1 2.77Å; D108-R113 PolarHBondContact OD1-NH1 2.91Å; D108-R113 IonicContact OD1-NH2 2.81Å; D108-R113 PolarHBondContact OD1-NH2 3.11Å; D108-R113 IonicContact OD2-CZ 3.8Å; D108-R113 IonicContact OD2-NH1 2.95Å; D108-R113 PolarHBondContact OD2-NH1 2.87Å; D108-R149 HydrophobicContact CB-CB 4.38Å; D108-R149 VanDerWaalsContact OD2-CD 3.31Å; D108-R149 WeakPolarHBondContact OD2-CD 3.36Å; D108-R149 IonicContact OD2-CZ 3.59Å; D108-R149 IonicContact OD2-NE 3.96Å; D108-R149 IonicContact OD2-NH1 3.78Å; D108-R149 PolarHBondContact OD2-NH1 3.19Å; D108-W150 PolarHBondContact N-O 2.96Å | ||
| 109 | F | 98 | Very high | 94.2 | Very high | 51 Ų | 51 | 76.4 Ų | 76.4 | 22% | 0.224 | 37% | 0.374 | C | S | . | . | trans | -88.1 | -9.7 | 178.5 | -67.6 | -71.1 | 0 | 0 | 0 | 112.9 | I107 I152 A204 R208 | I107-F109 HydrophobicContact CB-CE2 4.25Å; I107-F109 HydrophobicContact CB-CZ 4.19Å; I107-F109 HydrophobicContact CG2-CD1 4.32Å; I107-F109 HydrophobicContact CG2-CE1 4.08Å; I107-F109 HydrophobicContact CG2-CZ 4.2Å; F109-I152 HydrophobicContact CD1-CD1 4.19Å; F109-I152 HydrophobicContact CE1-CD1 3.67Å; F109-I152 HydrophobicContact CE1-CG1 4.35Å; F109-A204 HydrophobicContact CB-CB 4.11Å; F109-A204 HydrophobicContact CD1-CB 4.48Å; F109-A204 WeakPolarHBondContact O-CB 3.29Å; F109-A204 PolarHBondContact O-N 3.44Å; F109-R208 VanDerWaalsContact CZ-NH1 3.35Å | ||
| 110 | L | 97.6 | Very high | 93.9 | Very high | 30 Ų | 30 | 75.9 Ų | 75.9 | 16% | 0.157 | 37% | 0.369 | C | S | . | . | trans | -94.8 | 95.7 | 174.8 | -178.3 | 62.4 | 0 | 0 | 0 | 108 | D108 R113 R149 E197 | D108-L110 PolarHBondContact OD1-N 2.93Å; L110-R113 HydrophobicContact CD2-CB 4.22Å; L110-R113 HydrophobicContact CG-CB 4.28Å; L110-R149 PolarHBondContact O-NH1 3.09Å; L110-E197 WeakPolarHBondContact CD1-OE1 3.28Å | ||
| 111 | R | 95.4 | Very high | 93.7 | Very high | 14 Ų | 14 | 73 Ų | 73 | 5% | 0.053 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -63.3 | -55.2 | -176.3 | -72.3 | -73.1 | -76.7 | 141.8 | -7.6 | 110.8 | R113 E124 R149 N165 G179 A181 | R111-R113 PolarHBondContact O-N 3.32Å; R111-E124 IonicContact NH1-OE2 3.67Å; R111-E124 PolarHBondContact NH1-OE2 3.26Å; R111-E124 VanDerWaalsContact NH1-OE2 3.11Å; R111-R149 PolarHBondContact O-NH1 3.19Å; R111-R149 VanDerWaalsContact O-NH1 3.11Å; R111-R149 PolarHBondContact O-NH2 2.8Å; R111-N165 PolarHBondContact NH1-OD1 2.97Å; R111-N165 PolarHBondContact NH2-OD1 2.84Å; R111-G179 PolarHBondContact NH2-O 2.86Å; R111-A181 HydrophobicContact CB-CB 3.67Å; R111-A181 HydrophobicContact CG-CB 4.12Å |
| 112 | F | 96.1 | Very high | 93.6 | Very high | 29 Ų | 29 | 65.7 Ų | 65.7 | 13% | 0.127 | 33% | 0.331 | C | S | . | . | trans | -79.8 | 88.6 | 174.5 | -170.4 | -95.7 | 0 | 0 | 0 | 110.5 | P114 F122 N165 N167 V241 | F112-P114 HydrophobicContact CE1-CG 4.21Å; F112-P114 HydrophobicContact CZ-CG 4.46Å; F112-F122 HydrophobicContact CD2-CE1 4.04Å; F112-F122 HydrophobicContact CE2-CD1 4.39Å; F112-F122 HydrophobicContact CE2-CE1 4.11Å; F112-N165 HydrophobicContact CD2-CB 4.48Å; F112-N167 HydrophobicContact CD1-CB 3.7Å; F112-N167 HydrophobicContact CD2-CB 3.94Å; F112-N167 HydrophobicContact CE1-CB 3.49Å; F112-N167 VanDerWaalsContact CE1-CB 3.49Å; F112-N167 VanDerWaalsContact CE1-CG 3.43Å; F112-N167 VanDerWaalsContact CE1-ND2 3.29Å; F112-N167 WeakPolarHBondContact CE1-ND2 3.31Å; F112-N167 HydrophobicContact CE2-CB 3.74Å; F112-N167 HydrophobicContact CG-CB 3.92Å; F112-N167 HydrophobicContact CZ-CB 3.52Å; F112-N167 VanDerWaalsContact CZ-ND2 3.28Å; F112-N167 WeakPolarHBondContact CZ-ND2 3.44Å; F112-N167 WeakPolarHBondContact CZ-OD1 3.24Å; F112-V241 HydrophobicContact CB-CG1 4.42Å; F112-V241 HydrophobicContact CB-CG2 4.04Å | ||
| 113 | R | 94.1 | Very high | 93.6 | Very high | 102 Ų | 102 | 69.2 Ų | 69.2 | 39% | 0.385 | 35% | 0.348 | S | S | . | . | trans | -126.6 | 97.8 | 169.2 | 176.9 | -179.1 | -75.4 | 146.8 | 4.3 | 107.2 | D108 L110 R111 F122 R147 | D108-R113 IonicContact OD1-CZ 3.18Å; D108-R113 IonicContact OD1-NH1 2.77Å; D108-R113 PolarHBondContact OD1-NH1 2.91Å; D108-R113 IonicContact OD1-NH2 2.81Å; D108-R113 PolarHBondContact OD1-NH2 3.11Å; D108-R113 IonicContact OD2-CZ 3.8Å; D108-R113 IonicContact OD2-NH1 2.95Å; D108-R113 PolarHBondContact OD2-NH1 2.87Å; L110-R113 HydrophobicContact CD2-CB 4.22Å; L110-R113 HydrophobicContact CG-CB 4.28Å; R111-R113 PolarHBondContact O-N 3.32Å; R113-F122 WeakPolarHBondContact O-CZ 3.4Å; R113-R147 PolarHBondContact O-NH1 3.09Å; R113-R147 PolarHBondContact O-NH2 3.4Å | ||
| 114 | P | 89.9 | Confident | 93.6 | Very high | 52 Ų | 52 | 62.7 Ų | 62.7 | 34% | 0.338 | 32% | 0.323 | S | S | . | . | trans | -54.7 | 155.5 | 173.9 | 13.9 | -23.5 | 0 | 0 | 0 | 112.1 | F112 K118 R147 | F112-P114 HydrophobicContact CE1-CG 4.21Å; F112-P114 HydrophobicContact CZ-CG 4.46Å; P114-K118 WeakPolarHBondContact CB-O 3.35Å; P114-R147 PolarHBondContact O-NH1 3.1Å | ||
| 115 | E | 88 | Confident | 93.6 | Very high | 30 Ų | 30 | 65.4 Ų | 65.4 | 14% | 0.14 | 34% | 0.336 | C | S | . | . | trans | -73.1 | 157 | 168.3 | -68.4 | -179.4 | 162.8 | 0 | 0 | 109.4 | T117 K118 G144 S146 R147 | E115-T117 PolarHBondContact O-N 2.99Å; E115-K118 HydrophobicContact CB-CB 4.38Å; E115-K118 PolarHBondContact O-N 3.08Å; E115-K118 VanDerWaalsContact O-O 3.06Å; E115-K118 IonicContact OE2-NZ 3.67Å; E115-G144 VanDerWaalsContact OE1-O 3.07Å; E115-S146 PolarHBondContact OE1-N 3.01Å; E115-R147 HydrophobicContact CG-CG 4.5Å; E115-R147 VanDerWaalsContact OE1-CG 3.31Å; E115-R147 WeakPolarHBondContact OE1-CG 3.41Å; E115-R147 IonicContact OE1-NE 2.99Å | ||
| 116 | E | 84.1 | Confident | 93.6 | Very high | 209 Ų | 209 | 64.3 Ų | 64.3 | 98% | 0.977 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -35.9 | -176 | -67.5 | 175.5 | -176 | 0 | 0 | 112.9 | ||
| 117 | T | 84.6 | Confident | 93.6 | Very high | 139 Ų | 139 | 66.4 Ų | 66.4 | 85% | 0.853 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -13.4 | -177.7 | -37.5 | 0 | 0 | 0 | 0 | 113.8 | E115 | E115-T117 PolarHBondContact O-N 2.99Š|
| 118 | K | 86.1 | Confident | 93.6 | Very high | 118 Ų | 118 | 70.2 Ų | 70.2 | 51% | 0.513 | 36% | 0.361 | S | S | . | . | trans | -118.3 | 120.9 | -170.4 | -67.1 | -178.6 | -178.7 | 170.3 | 0 | 110.8 | P114 E115 | P114-K118 WeakPolarHBondContact CB-O 3.35Å; E115-K118 HydrophobicContact CB-CB 4.38Å; E115-K118 PolarHBondContact O-N 3.08Å; E115-K118 VanDerWaalsContact O-O 3.06Å; E115-K118 IonicContact OE2-NZ 3.67Å | ||
| 119 | S | 85.1 | Confident | 93.6 | Very high | 126 Ų | 126 | 72.1 Ų | 72.1 | 88% | 0.881 | 37% | 0.373 | S | S | * | . | trans | -101.7 | 141 | 167.4 | -169.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 120 | G | 91.2 | Very high | 93.6 | Very high | 19 Ų | 19 | 73.8 Ų | 73.8 | 20% | 0.196 | 38% | 0.378 | C | S | . | . | S | Bend | trans | 115.5 | -176.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 121 | P | 94.5 | Very high | 93.7 | Very high | 80 Ų | 80 | 79 Ų | 79 | 52% | 0.519 | 40% | 0.396 | S | S | . | . | trans | -61.5 | 146.2 | 175 | -20.7 | 33.7 | 0 | 0 | 0 | 111.7 | N165 | P121-N165 WeakPolarHBondContact CA-O 3.38Š| ||
| 122 | F | 95.9 | Very high | 93.8 | Very high | 37 Ų | 37 | 78.4 Ų | 78.4 | 16% | 0.162 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 149.9 | 178 | 61.2 | -89.1 | 0 | 0 | 0 | 111.7 | F112 R113 E124 R147 N165 | F112-F122 HydrophobicContact CD2-CE1 4.04Å; F112-F122 HydrophobicContact CE2-CD1 4.39Å; F112-F122 HydrophobicContact CE2-CE1 4.11Å; R113-F122 WeakPolarHBondContact O-CZ 3.4Å; F122-E124 HydrophobicContact CD2-CG 3.89Å; F122-E124 HydrophobicContact CE2-CG 3.9Å; F122-R147 VanDerWaalsContact CE2-NH2 3.35Å; F122-N165 HydrophobicContact CD2-CB 4.28Å; F122-N165 HydrophobicContact CE1-CB 4.16Å; F122-N165 HydrophobicContact CE2-CB 3.87Å; F122-N165 VanDerWaalsContact CE2-ND2 3.28Å; F122-N165 WeakPolarHBondContact CE2-ND2 3.03Å; F122-N165 HydrophobicContact CZ-CB 3.79Å; F122-N165 PolarHBondContact N-O 2.82Å; F122-N165 PolarHBondContact O-N 2.96Å |
| 123 | E | 96.5 | Very high | 93.9 | Very high | 125 Ų | 125 | 78.7 Ų | 78.7 | 58% | 0.584 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 147.1 | 177.8 | -66.1 | 179.4 | -175.3 | 0 | 0 | 110.7 | T162 V163 L164 | E123-T162 HydrophobicContact CB-CG2 3.9Å; E123-T162 HydrophobicContact CG-CG2 4.3Å; E123-V163 WeakPolarHBondContact CA-O 3.43Å; E123-L164 HydrophobicContact CG-CD1 3.78Å |
| 124 | E | 97.6 | Very high | 94.1 | Very high | 3 Ų | 3 | 76.1 Ų | 76.1 | 1% | 0.014 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 140.5 | 174.8 | -56.5 | 179.2 | 133.4 | 0 | 0 | 109.6 | R111 F122 V142 A143 R147 R149 T162 V163 N165 | R111-E124 IonicContact NH1-OE2 3.67Å; R111-E124 PolarHBondContact NH1-OE2 3.26Å; R111-E124 VanDerWaalsContact NH1-OE2 3.11Å; F122-E124 HydrophobicContact CD2-CG 3.89Å; F122-E124 HydrophobicContact CE2-CG 3.9Å; E124-V142 HydrophobicContact CB-CB 4.15Å; E124-A143 CarbonylContact C-O 3.53Å; E124-A143 WeakPolarHBondContact CA-O 3.43Å; E124-R147 IonicContact OE1-NH2 3.77Å; E124-R149 IonicContact OE1-CZ 3.11Å; E124-R149 IonicContact OE1-NE 3.2Å; E124-R149 PolarHBondContact OE1-NE 2.94Å; E124-R149 IonicContact OE1-NH2 3.66Å; E124-R149 PolarHBondContact OE1-NH2 3.12Å; E124-R149 IonicContact OE2-CZ 2.81Å; E124-R149 IonicContact OE2-NE 3.77Å; E124-R149 IonicContact OE2-NH2 3.91Å; E124-R149 PolarHBondContact OE2-NH2 2.95Å; E124-T162 CarbonylContact O-C 3.49Å; E124-T162 WeakPolarHBondContact O-CA 3.48Å; E124-V163 HydrophobicContact CB-CG2 3.89Å; E124-V163 PolarHBondContact N-O 3.03Å; E124-V163 WeakPolarHBondContact O-CG2 3.35Å; E124-V163 PolarHBondContact O-N 3.02Å; E124-N165 PolarHBondContact OE2-ND2 2.77Å; E124-N165 VanDerWaalsContact OE2-ND2 3.08Å |
| 125 | K | 98.3 | Very high | 94.4 | Very high | 124 Ų | 124 | 76.3 Ų | 76.3 | 54% | 0.539 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 133.1 | 173.8 | -170.2 | 172.1 | -176.7 | 172.6 | 0 | 110.5 | I127 V142 A143 G160 D161 | K125-I127 PolarHBondContact O-N 3.15Å; K125-V142 WeakPolarHBondContact O-CA 3.48Å; K125-A143 PolarHBondContact N-O 3.25Å; K125-A143 PolarHBondContact O-N 3.2Å; K125-G160 WeakPolarHBondContact CE-O 3.48Å; K125-D161 CarbonylContact C-O 3.56Å; K125-D161 WeakPolarHBondContact CA-O 3.42Å |
| 126 | V | 98.5 | Very high | 94.9 | Very high | 1 Ų | 1 | 76.5 Ų | 76.5 | 1% | 0.006 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 120.3 | 173.1 | -176.7 | 0 | 0 | 0 | 0 | 108.7 | V129 A140 V142 M157 Q158 G160 D161 V163 | V126-V129 HydrophobicContact CG1-CG2 4.21Å; V126-A140 HydrophobicContact CG1-CB 4.27Å; V126-V142 HydrophobicContact CG2-CG1 4Å; V126-M157 HydrophobicContact CG1-CG 4.22Å; V126-M157 HydrophobicContact CG1-SD 4.44Å; V126-M157 HydrophobicContact CG2-CG 3.93Å; V126-M157 HydrophobicContact CG2-SD 3.89Å; V126-Q158 WeakPolarHBondContact CB-O 3.29Å; V126-Q158 WeakPolarHBondContact CG1-O 3.28Å; V126-G160 PolarHBondContact O-N 2.87Å; V126-D161 HydrophobicContact CB-CB 4.37Å; V126-D161 HydrophobicContact CG2-CB 4.09Å; V126-D161 WeakPolarHBondContact CG2-O 3.28Å; V126-D161 PolarHBondContact N-O 3.39Å; V126-V163 HydrophobicContact CG2-CG1 4.14Å |
| 127 | I | 98.1 | Very high | 95.6 | Very high | 78 Ų | 78 | 66.6 Ų | 66.6 | 40% | 0.4 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | -48.9 | 177.9 | -62.1 | 173.3 | 0 | 0 | 0 | 110.2 | K125 L141 A143 K148 A159 | K125-I127 PolarHBondContact O-N 3.15Å; I127-L141 HydrophobicContact CB-CB 4.37Å; I127-L141 HydrophobicContact CB-CD2 4.35Å; I127-L141 HydrophobicContact CB-CG 4.36Å; I127-L141 HydrophobicContact CD1-CD2 4.23Å; I127-L141 HydrophobicContact CD1-CG 4.26Å; I127-L141 HydrophobicContact CG2-CD2 4.37Å; I127-L141 PolarHBondContact N-O 3.29Å; I127-A143 HydrophobicContact CD1-CB 3.54Å; I127-A143 HydrophobicContact CG1-CB 4.19Å; I127-K148 HydrophobicContact CD1-CD 4.26Å; I127-A159 WeakPolarHBondContact O-CB 3.42Å |
| 128 | Q | 98.1 | Very high | 96.2 | Very high | 95 Ų | 95 | 61.7 Ų | 61.7 | 44% | 0.444 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 137.6 | -173.9 | -176 | 179.6 | 39.5 | 0 | 0 | 111.2 | A140 L141 | Q128-A140 CarbonylContact O-C 3.56Å; Q128-A140 WeakPolarHBondContact O-CA 3.25Å; Q128-L141 PolarHBondContact O-N 2.86Å |
| 129 | V | 98.3 | Very high | 96.8 | Very high | 52 Ų | 52 | 56.1 Ų | 56.1 | 32% | 0.315 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 134.5 | 166.7 | -176.8 | 0 | 0 | 0 | 0 | 109.3 | V126 D138 I139 A140 A153 M157 | V126-V129 HydrophobicContact CG1-CG2 4.21Å; V129-D138 HydrophobicContact CG1-CB 4.23Å; V129-I139 WeakPolarHBondContact CA-O 3.05Å; V129-A140 HydrophobicContact CG2-CB 4.26Å; V129-A153 HydrophobicContact CG1-CB 3.99Å; V129-M157 HydrophobicContact CG2-CG 4.33Å |
| 130 | R | 98.2 | Very high | 97.5 | Very high | 86 Ų | 86 | 50.1 Ų | 50.1 | 33% | 0.325 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 157.9 | -176.5 | 73.6 | -172 | -51.2 | 162.2 | 19.6 | 113 | I139 W150 | R130-I139 HydrophobicContact CG-CD1 3.98Å; R130-I139 HydrophobicContact CG-CG1 3.54Å; R130-I139 PolarHBondContact N-O 3.5Å; R130-I139 WeakPolarHBondContact O-CG1 3.37Å; R130-I139 PolarHBondContact O-N 2.88Å; R130-W150 HydrophobicContact CG-CH2 4.12Å; R130-W150 HydrophobicContact CG-CZ3 3.75Å |
| 131 | Y | 98.4 | Very high | 97.8 | Very high | 141 Ų | 141 | 50.2 Ų | 50.2 | 55% | 0.553 | 25% | 0.247 | S | C | * | . | trans | -68.1 | 139.5 | 171.7 | 174.3 | -107.6 | 0 | 0 | 0 | 113.5 | R105 P133 | R105-Y131 PolarHBondContact NH1-O 2.83Å; Y131-P133 HydrophobicContact CE1-CB 3.97Å | ||
| 132 | D | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -120 | 117.5 | 173.2 | -171.1 | 37.7 | 0 | 0 | 0 | 112.5 | R105 C134 R135 I139 | R105-D132 IonicContact NH1-OD1 3.44Å; R105-D132 PolarHBondContact NH1-OD1 2.85Å; D132-C134 PolarHBondContact O-N 2.76Å; D132-C134 VanDerWaalsContact O-N 3.16Å; D132-R135 HydrophobicContact CB-CG 3.98Å; D132-R135 PolarHBondContact O-N 3.23Å; D132-R135 WeakPolarHBondContact OD2-CD 3.44Å; D132-R135 WeakPolarHBondContact OD2-CG 3.46Å; D132-R135 IonicContact OD2-CZ 2.77Å; D132-R135 IonicContact OD2-NE 3.93Å; D132-R135 PolarHBondContact OD2-NE 2.9Å; D132-R135 IonicContact OD2-NH2 3.33Å; D132-I139 HydrophobicContact CB-CD1 3.98Å; D132-I139 HydrophobicContact CB-CG1 4.12Å; D132-I139 HydrophobicContact CB-CG2 3.86Å | ||
| 133 | P | 97.8 | Very high | 98.1 | Very high | 36 Ų | 36 | 45.9 Ų | 45.9 | 23% | 0.234 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -6.9 | -178.3 | 32.4 | -37.6 | 0 | 0 | 0 | 114 | Q102 R105 Y131 | Q102-P133 HydrophobicContact CG-CB 4.05Å; Q102-P133 HydrophobicContact CG-CG 4.28Å; Q102-P133 PolarHBondContact NE2-O 2.99Å; Q102-P133 VanDerWaalsContact NE2-O 3.13Å; R105-P133 VanDerWaalsContact NH1-CD 3.26Å; Y131-P133 HydrophobicContact CE1-CB 3.97Å |
| 134 | C | 97.9 | Very high | 98 | Very high | 48 Ų | 48 | 40.4 Ų | 40.4 | 32% | 0.324 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -9.3 | -178.1 | -66.9 | 0 | 0 | 0 | 0 | 113.5 | Y104 D132 | Y104-C134 HydrophobicContact CD2-CB 4.49Å; D132-C134 PolarHBondContact O-N 2.76Å; D132-C134 VanDerWaalsContact O-N 3.16Å |
| 135 | R | 97.7 | Very high | 97.7 | Very high | 55 Ų | 55 | 43.3 Ų | 43.3 | 21% | 0.208 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -146 | 175.8 | -179.7 | 69.8 | -168.7 | 64.4 | -137.8 | -12.2 | 110.3 | D132 A137 | D132-R135 HydrophobicContact CB-CG 3.98Å; D132-R135 PolarHBondContact O-N 3.23Å; D132-R135 WeakPolarHBondContact OD2-CD 3.44Å; D132-R135 WeakPolarHBondContact OD2-CG 3.46Å; D132-R135 IonicContact OD2-CZ 2.77Å; D132-R135 IonicContact OD2-NE 3.93Å; D132-R135 PolarHBondContact OD2-NE 2.9Å; D132-R135 IonicContact OD2-NH2 3.33Å; R135-A137 WeakPolarHBondContact CG-O 3.23Å |
| 136 | S | 98.1 | Very high | 97.5 | Very high | 35 Ų | 35 | 42.8 Ų | 42.8 | 25% | 0.245 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -86 | -35.3 | 175.6 | 50.7 | 0 | 0 | 0 | 0 | 113.2 | A210 N249 | S136-A210 PolarHBondContact OG-N 2.77Å; S136-N249 PolarHBondContact O-ND2 3.02Å |
| 137 | A | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -74.6 | 154.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R135 I152 A210 V247 | R135-A137 WeakPolarHBondContact CG-O 3.23Å; A137-I152 HydrophobicContact CB-CG2 4.35Å; A137-A210 HydrophobicContact CB-CB 4.44Å; A137-V247 HydrophobicContact CB-CG1 3.38Å |
| 138 | D | 98.4 | Very high | 97.3 | Very high | 37 Ų | 37 | 47.1 Ų | 47.1 | 20% | 0.198 | 26% | 0.259 | C | S | . | . | trans | -81.7 | 161.2 | 171.3 | -62.8 | -41 | 0 | 0 | 0 | 110.6 | V129 A153 S248 | V129-D138 HydrophobicContact CG1-CB 4.23Å; D138-A153 PolarHBondContact O-N 2.87Å; D138-S248 PolarHBondContact N-OG 3.14Å; D138-S248 PolarHBondContact O-OG 3.33Å | ||
| 139 | I | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 145.8 | -177.3 | 64 | 173.6 | 0 | 0 | 0 | 110.2 | R105 I107 V129 R130 D132 W150 I151 | R105-I139 HydrophobicContact CB-CD1 4.23Å; R105-I139 HydrophobicContact CG-CD1 4.46Å; I107-I139 HydrophobicContact CD1-CB 4.32Å; I107-I139 HydrophobicContact CD1-CD1 4.07Å; I107-I139 HydrophobicContact CD1-CG2 3.87Å; V129-I139 WeakPolarHBondContact CA-O 3.05Å; R130-I139 HydrophobicContact CG-CD1 3.98Å; R130-I139 HydrophobicContact CG-CG1 3.54Å; R130-I139 PolarHBondContact N-O 3.5Å; R130-I139 WeakPolarHBondContact O-CG1 3.37Å; R130-I139 PolarHBondContact O-N 2.88Å; D132-I139 HydrophobicContact CB-CD1 3.98Å; D132-I139 HydrophobicContact CB-CG1 4.12Å; D132-I139 HydrophobicContact CB-CG2 3.86Å; I139-W150 HydrophobicContact CB-CE3 4.29Å; I139-W150 HydrophobicContact CD1-CD2 3.94Å; I139-W150 HydrophobicContact CD1-CE3 3.57Å; I139-W150 HydrophobicContact CD1-CG 4.45Å; I139-W150 HydrophobicContact CD1-CZ3 4.06Å; I139-W150 HydrophobicContact CG1-CE3 3.81Å; I139-W150 HydrophobicContact CG1-CZ3 4.12Å; I139-I151 VanDerWaalsContact CA-O 3.29Å; I139-I151 WeakPolarHBondContact CA-O 3.15Å; I139-I151 WeakPolarHBondContact CB-O 3.44Å |
| 140 | A | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 134.9 | 176 | 0 | 0 | 0 | 0 | 0 | 110.2 | V126 Q128 V129 V142 W150 I151 A153 M157 | V126-A140 HydrophobicContact CG1-CB 4.27Å; Q128-A140 CarbonylContact O-C 3.56Å; Q128-A140 WeakPolarHBondContact O-CA 3.25Å; V129-A140 HydrophobicContact CG2-CB 4.26Å; A140-V142 HydrophobicContact CB-CG1 4.45Å; A140-W150 WeakPolarHBondContact O-CA 3.42Å; A140-I151 HydrophobicContact CB-CD1 4.48Å; A140-I151 HydrophobicContact CB-CG1 3.98Å; A140-I151 PolarHBondContact N-O 3.31Å; A140-I151 PolarHBondContact O-N 3Å; A140-A153 HydrophobicContact CB-CB 4.07Å; A140-M157 HydrophobicContact CB-SD 3.57Å; A140-M157 VanDerWaalsContact CB-SD 3.57Å |
| 141 | L | 98.5 | Very high | 97.3 | Very high | 22 Ų | 22 | 36.6 Ų | 36.6 | 12% | 0.115 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 117.6 | 165.1 | -172.7 | 58.4 | 0 | 0 | 0 | 107.5 | I74 I127 Q128 K148 W150 | I74-L141 HydrophobicContact CG2-CD1 4.44Å; I127-L141 HydrophobicContact CB-CB 4.37Å; I127-L141 HydrophobicContact CB-CD2 4.35Å; I127-L141 HydrophobicContact CB-CG 4.36Å; I127-L141 HydrophobicContact CD1-CD2 4.23Å; I127-L141 HydrophobicContact CD1-CG 4.26Å; I127-L141 HydrophobicContact CG2-CD2 4.37Å; I127-L141 PolarHBondContact N-O 3.29Å; Q128-L141 PolarHBondContact O-N 2.86Å; L141-K148 HydrophobicContact CD1-CB 4.31Å; L141-W150 HydrophobicContact CB-CE3 3.92Å; L141-W150 HydrophobicContact CB-CH2 3.57Å; L141-W150 HydrophobicContact CB-CZ2 4.3Å; L141-W150 HydrophobicContact CB-CZ3 3.41Å; L141-W150 VanDerWaalsContact CB-CZ3 3.41Å; L141-W150 HydrophobicContact CD1-CD2 4.07Å; L141-W150 HydrophobicContact CD1-CE3 4.29Å; L141-W150 HydrophobicContact CD1-CH2 4.09Å; L141-W150 HydrophobicContact CD1-CZ2 3.94Å; L141-W150 HydrophobicContact CD1-CZ3 4.33Å; L141-W150 HydrophobicContact CD2-CH2 4.14Å; L141-W150 HydrophobicContact CD2-CZ2 4.37Å; L141-W150 HydrophobicContact CG-CH2 4.14Å; L141-W150 HydrophobicContact CG-CZ2 4.44Å; L141-W150 HydrophobicContact CG-CZ3 4.35Å |
| 142 | V | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 146.7 | 175.5 | -64 | 0 | 0 | 0 | 0 | 110.3 | E124 K125 V126 A140 K148 R149 I151 | E124-V142 HydrophobicContact CB-CB 4.15Å; K125-V142 WeakPolarHBondContact O-CA 3.48Å; V126-V142 HydrophobicContact CG2-CG1 4Å; A140-V142 HydrophobicContact CB-CG1 4.45Å; V142-K148 WeakPolarHBondContact O-CA 3.31Å; V142-R149 HydrophobicContact CG2-CG 3.75Å; V142-R149 WeakPolarHBondContact CG2-O 3.45Å; V142-R149 PolarHBondContact N-O 3.24Å; V142-R149 PolarHBondContact O-N 2.65Å; V142-I151 HydrophobicContact CB-CD1 4.42Å; V142-I151 HydrophobicContact CG1-CD1 3.49Å; V142-I151 VanDerWaalsContact CG1-CD1 3.49Å; V142-I151 HydrophobicContact CG1-CG1 3.94Å; V142-I151 HydrophobicContact CG2-CD1 4.06Å; V142-I151 HydrophobicContact CG2-CG1 4.16Å; V142-I151 HydrophobicContact CG2-CG2 3.93Å |
| 143 | A | 97.6 | Very high | 97.4 | Very high | 25 Ų | 25 | 30.3 Ų | 30.3 | 21% | 0.207 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 133.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | E124 K125 I127 R147 K148 | E124-A143 CarbonylContact C-O 3.53Å; E124-A143 WeakPolarHBondContact CA-O 3.43Å; K125-A143 PolarHBondContact N-O 3.25Å; K125-A143 PolarHBondContact O-N 3.2Å; I127-A143 HydrophobicContact CD1-CB 3.54Å; I127-A143 HydrophobicContact CG1-CB 4.19Å; A143-R147 WeakPolarHBondContact CA-O 3.21Å; A143-K148 HydrophobicContact CB-CG 3.93Å |
| 144 | G | 94.8 | Very high | 97.4 | Very high | 11 Ų | 11 | 28.8 Ų | 28.8 | 11% | 0.113 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 141.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | E115 S146 R147 | E115-G144 VanDerWaalsContact OE1-O 3.07Å; G144-S146 PolarHBondContact O-N 3.1Å; G144-S146 VanDerWaalsContact O-N 3.15Å; G144-R147 PolarHBondContact N-O 3.14Å; G144-R147 PolarHBondContact O-N 3.39Å |
| 145 | G | 91.9 | Very high | 97.4 | Very high | 64 Ų | 64 | 29.9 Ų | 29.9 | 66% | 0.66 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | -119.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 146 | S | 94 | Very high | 97.4 | Very high | 112 Ų | 112 | 32.3 Ų | 32.3 | 78% | 0.783 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | -4.3 | -177.2 | 61.7 | 0 | 0 | 0 | 0 | 113.9 | E115 G144 | E115-S146 PolarHBondContact OE1-N 3.01Å; G144-S146 PolarHBondContact O-N 3.1Å; G144-S146 VanDerWaalsContact O-N 3.15Å |
| 147 | R | 95.4 | Very high | 97.3 | Very high | 55 Ų | 55 | 31.5 Ų | 31.5 | 21% | 0.208 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 160.2 | -174.1 | 76.3 | -172.3 | 174.5 | -176.4 | 0.3 | 113.8 | R113 P114 E115 F122 E124 A143 G144 | R113-R147 PolarHBondContact O-NH1 3.09Å; R113-R147 PolarHBondContact O-NH2 3.4Å; P114-R147 PolarHBondContact O-NH1 3.1Å; E115-R147 HydrophobicContact CG-CG 4.5Å; E115-R147 VanDerWaalsContact OE1-CG 3.31Å; E115-R147 WeakPolarHBondContact OE1-CG 3.41Å; E115-R147 IonicContact OE1-NE 2.99Å; F122-R147 VanDerWaalsContact CE2-NH2 3.35Å; E124-R147 IonicContact OE1-NH2 3.77Å; A143-R147 WeakPolarHBondContact CA-O 3.21Å; G144-R147 PolarHBondContact N-O 3.14Å; G144-R147 PolarHBondContact O-N 3.39Å |
| 148 | K | 97.3 | Very high | 97.3 | Very high | 115 Ų | 115 | 37.7 Ų | 37.7 | 50% | 0.5 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 138.8 | 172.3 | -56.9 | -174.6 | -177.8 | 174.4 | 0 | 109.7 | I74 I127 L141 V142 A143 | I74-K148 HydrophobicContact CG2-CB 4.2Å; I74-K148 VanDerWaalsContact CG2-O 3.28Å; I74-K148 WeakPolarHBondContact CG2-O 3.18Å; I127-K148 HydrophobicContact CD1-CD 4.26Å; L141-K148 HydrophobicContact CD1-CB 4.31Å; V142-K148 WeakPolarHBondContact O-CA 3.31Å; A143-K148 HydrophobicContact CB-CG 3.93Å |
| 149 | R | 97.9 | Very high | 97.3 | Very high | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.015 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 156.9 | 177.5 | 59.5 | -176.2 | 177.8 | 157.9 | 6 | 112.4 | Y72 D108 L110 R111 E124 V142 I151 | Y72-R149 HydrophobicContact CE1-CB 4.06Å; Y72-R149 VanDerWaalsContact OH-CA 3.3Å; Y72-R149 WeakPolarHBondContact OH-CA 3.42Å; D108-R149 HydrophobicContact CB-CB 4.38Å; D108-R149 VanDerWaalsContact OD2-CD 3.31Å; D108-R149 WeakPolarHBondContact OD2-CD 3.36Å; D108-R149 IonicContact OD2-CZ 3.59Å; D108-R149 IonicContact OD2-NE 3.96Å; D108-R149 IonicContact OD2-NH1 3.78Å; D108-R149 PolarHBondContact OD2-NH1 3.19Å; L110-R149 PolarHBondContact O-NH1 3.09Å; R111-R149 PolarHBondContact O-NH1 3.19Å; R111-R149 VanDerWaalsContact O-NH1 3.11Å; R111-R149 PolarHBondContact O-NH2 2.8Å; E124-R149 IonicContact OE1-CZ 3.11Å; E124-R149 IonicContact OE1-NE 3.2Å; E124-R149 PolarHBondContact OE1-NE 2.94Å; E124-R149 IonicContact OE1-NH2 3.66Å; E124-R149 PolarHBondContact OE1-NH2 3.12Å; E124-R149 IonicContact OE2-CZ 2.81Å; E124-R149 IonicContact OE2-NE 3.77Å; E124-R149 IonicContact OE2-NH2 3.91Å; E124-R149 PolarHBondContact OE2-NH2 2.95Å; V142-R149 HydrophobicContact CG2-CG 3.75Å; V142-R149 WeakPolarHBondContact CG2-O 3.45Å; V142-R149 PolarHBondContact N-O 3.24Å; V142-R149 PolarHBondContact O-N 2.65Å; R149-I151 HydrophobicContact CG-CG2 4.43Å |
| 150 | W | 98.4 | Very high | 97.2 | Very high | 8 Ų | 8 | 40.9 Ų | 40.9 | 3% | 0.03 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 132.4 | 173.3 | -66.4 | 107.2 | 0 | 0 | 0 | 108.9 | Y72 I74 M106 I107 D108 R130 I139 A140 L141 | Y72-W150 PolarHBondContact OH-N 3.49Å; I74-W150 PolarHBondContact O-NE1 3.29Å; M106-W150 WeakPolarHBondContact O-CB 3.37Å; I107-W150 WeakPolarHBondContact CA-O 3.41Å; I107-W150 HydrophobicContact CD1-CB 3.34Å; I107-W150 HydrophobicContact CD1-CG 4.11Å; I107-W150 WeakPolarHBondContact CG2-O 3.4Å; D108-W150 PolarHBondContact N-O 2.96Å; R130-W150 HydrophobicContact CG-CH2 4.12Å; R130-W150 HydrophobicContact CG-CZ3 3.75Å; I139-W150 HydrophobicContact CB-CE3 4.29Å; I139-W150 HydrophobicContact CD1-CD2 3.94Å; I139-W150 HydrophobicContact CD1-CE3 3.57Å; I139-W150 HydrophobicContact CD1-CG 4.45Å; I139-W150 HydrophobicContact CD1-CZ3 4.06Å; I139-W150 HydrophobicContact CG1-CE3 3.81Å; I139-W150 HydrophobicContact CG1-CZ3 4.12Å; A140-W150 WeakPolarHBondContact O-CA 3.42Å; L141-W150 HydrophobicContact CB-CE3 3.92Å; L141-W150 HydrophobicContact CB-CH2 3.57Å; L141-W150 HydrophobicContact CB-CZ2 4.3Å; L141-W150 HydrophobicContact CB-CZ3 3.41Å; L141-W150 VanDerWaalsContact CB-CZ3 3.41Å; L141-W150 HydrophobicContact CD1-CD2 4.07Å; L141-W150 HydrophobicContact CD1-CE3 4.29Å; L141-W150 HydrophobicContact CD1-CH2 4.09Å; L141-W150 HydrophobicContact CD1-CZ2 3.94Å; L141-W150 HydrophobicContact CD1-CZ3 4.33Å; L141-W150 HydrophobicContact CD2-CH2 4.14Å; L141-W150 HydrophobicContact CD2-CZ2 4.37Å; L141-W150 HydrophobicContact CG-CH2 4.14Å; L141-W150 HydrophobicContact CG-CZ2 4.44Å; L141-W150 HydrophobicContact CG-CZ3 4.35Å |
| 151 | I | 98.3 | Very high | 97.2 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 168.8 | 173.6 | 63.7 | 172 | 0 | 0 | 0 | 109.4 | I139 A140 V142 R149 | I139-I151 VanDerWaalsContact CA-O 3.29Å; I139-I151 WeakPolarHBondContact CA-O 3.15Å; I139-I151 WeakPolarHBondContact CB-O 3.44Å; A140-I151 HydrophobicContact CB-CD1 4.48Å; A140-I151 HydrophobicContact CB-CG1 3.98Å; A140-I151 PolarHBondContact N-O 3.31Å; A140-I151 PolarHBondContact O-N 3Å; V142-I151 HydrophobicContact CB-CD1 4.42Å; V142-I151 HydrophobicContact CG1-CD1 3.49Å; V142-I151 VanDerWaalsContact CG1-CD1 3.49Å; V142-I151 HydrophobicContact CG1-CG1 3.94Å; V142-I151 HydrophobicContact CG2-CD1 4.06Å; V142-I151 HydrophobicContact CG2-CG1 4.16Å; V142-I151 HydrophobicContact CG2-CG2 3.93Å; R149-I151 HydrophobicContact CG-CG2 4.43Å |
| 152 | I | 98.4 | Very high | 97.1 | Very high | 8 Ų | 8 | 46 Ų | 46 | 4% | 0.041 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 131.8 | 167.9 | -72.6 | 171.7 | 0 | 0 | 0 | 108.3 | F109 A137 N195 R208 V247 | F109-I152 HydrophobicContact CD1-CD1 4.19Å; F109-I152 HydrophobicContact CE1-CD1 3.67Å; F109-I152 HydrophobicContact CE1-CG1 4.35Å; A137-I152 HydrophobicContact CB-CG2 4.35Å; I152-N195 VanDerWaalsContact CD1-OD1 3.23Å; I152-N195 WeakPolarHBondContact CD1-OD1 3.41Å; I152-R208 HydrophobicContact CD1-CB 3.84Å; I152-R208 HydrophobicContact CD1-CG 4.19Å; I152-V247 HydrophobicContact CG2-CG1 3.73Å; I152-V247 HydrophobicContact CG2-CG2 4.5Å |
| 153 | A | 98.5 | Very high | 97 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.008 | 28% | 0.281 | C | S | . | . | trans | -78.4 | 141 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | V129 D138 A140 M157 S248 | V129-A153 HydrophobicContact CG1-CB 3.99Å; D138-A153 PolarHBondContact O-N 2.87Å; A140-A153 HydrophobicContact CB-CB 4.07Å; A153-M157 HydrophobicContact CB-SD 4.32Å; A153-S248 VanDerWaalsContact O-CB 3.28Å; A153-S248 WeakPolarHBondContact O-CB 3.4Å; A153-S248 PolarHBondContact O-N 3.28Å; A153-S248 PolarHBondContact O-OG 3.42Å | ||
| 154 | T | 98.4 | Very high | 97 | Very high | 4 Ų | 4 | 47.5 Ų | 47.5 | 3% | 0.025 | 28% | 0.284 | C | S | . | . | B | Isolated β-bridge | trans | -82.2 | 174.7 | 169.7 | 54 | 0 | 0 | 0 | 0 | 111.1 | M157 E178 T243 R246 S248 | T154-M157 HydrophobicContact CG2-CE 4.25Å; T154-M157 WeakPolarHBondContact OG1-CE 3.4Å; T154-E178 WeakPolarHBondContact CB-OE1 3.43Å; T154-E178 HydrophobicContact CG2-CG 4.21Å; T154-E178 WeakPolarHBondContact OG1-CG 3.41Å; T154-T243 HydrophobicContact CG2-CG2 4.03Å; T154-R246 CarbonylContact C-O 3.59Å; T154-R246 WeakPolarHBondContact CA-O 3.14Å; T154-R246 WeakPolarHBondContact CB-O 3.31Å; T154-S248 WeakPolarHBondContact O-CB 3.34Å |
| 155 | E | 97.8 | Very high | 97.1 | Very high | 71 Ų | 71 | 47 Ų | 47 | 33% | 0.332 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -51.7 | -169.4 | -176.7 | 171.2 | 179.1 | 0 | 0 | 112.4 | E178 R246 V250 | E155-E178 VanDerWaalsContact CB-OE1 3.31Å; E155-E178 WeakPolarHBondContact CB-OE1 3.43Å; E155-E178 PolarHBondContact N-OE1 3.31Å; E155-R246 HydrophobicContact CB-CB 4.26Å; E155-R246 PolarHBondContact N-O 2.99Å; E155-R246 IonicContact OE1-NH1 2.86Å; E155-R246 PolarHBondContact OE1-NH1 3.01Å; E155-R246 WeakPolarHBondContact OE2-CB 3.29Å; E155-R246 VanDerWaalsContact OE2-CD 3.25Å; E155-R246 WeakPolarHBondContact OE2-CD 3.36Å; E155-R246 IonicContact OE2-CZ 3.38Å; E155-R246 IonicContact OE2-NE 2.87Å; E155-R246 IonicContact OE2-NH1 3.49Å; E155-R246 PolarHBondContact OE2-NH1 3.43Å; E155-V250 VanDerWaalsContact CD-CG2 3.44Å; E155-V250 HydrophobicContact CG-CG2 3.8Å; E155-V250 WeakPolarHBondContact OE1-CG2 3.47Å |
| 156 | N | 97.5 | Very high | 97.4 | Very high | 106 Ų | 106 | 44.5 Ų | 44.5 | 57% | 0.567 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | 20.9 | -175.4 | -57.3 | -60.8 | 0 | 0 | 0 | 113.9 | Q158 E178 | N156-Q158 PolarHBondContact O-N 3.38Å; N156-E178 WeakPolarHBondContact CB-OE2 3.21Å; N156-E178 PolarHBondContact N-OE2 3.05Å; N156-E178 PolarHBondContact ND2-OE2 2.98Å |
| 157 | M | 97.4 | Very high | 97.4 | Very high | 17 Ų | 17 | 42.9 Ų | 42.9 | 8% | 0.084 | 23% | 0.234 | C | C | . | . | trans | -73.3 | 126.6 | -178.4 | -170 | 170.7 | -72.9 | 0 | 0 | 111.4 | V126 V129 A140 A153 T154 V163 | V126-M157 HydrophobicContact CG1-CG 4.22Å; V126-M157 HydrophobicContact CG1-SD 4.44Å; V126-M157 HydrophobicContact CG2-CG 3.93Å; V126-M157 HydrophobicContact CG2-SD 3.89Å; V129-M157 HydrophobicContact CG2-CG 4.33Å; A140-M157 HydrophobicContact CB-SD 3.57Å; A140-M157 VanDerWaalsContact CB-SD 3.57Å; A153-M157 HydrophobicContact CB-SD 4.32Å; T154-M157 HydrophobicContact CG2-CE 4.25Å; T154-M157 WeakPolarHBondContact OG1-CE 3.4Å; M157-V163 HydrophobicContact CE-CG1 3.97Å | ||
| 158 | Q | 97.3 | Very high | 97.4 | Very high | 130 Ų | 130 | 46.1 Ų | 46.1 | 61% | 0.607 | 25% | 0.251 | S | S | * | . | trans | -118.9 | 164.4 | 179.8 | -58.8 | -172.1 | 20.8 | 0 | 0 | 112 | V126 N156 D161 | V126-Q158 WeakPolarHBondContact CB-O 3.29Å; V126-Q158 WeakPolarHBondContact CG1-O 3.28Å; N156-Q158 PolarHBondContact O-N 3.38Å; Q158-D161 PolarHBondContact N-OD2 3.47Å | ||
| 159 | A | 97.6 | Very high | 97.4 | Very high | 67 Ų | 67 | 43.4 Ų | 43.4 | 55% | 0.554 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | 128 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | I127 | I127-A159 WeakPolarHBondContact O-CB 3.42Š|
| 160 | G | 97.2 | Very high | 97.1 | Very high | 37 Ų | 37 | 44.3 Ų | 44.3 | 38% | 0.381 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 109.3 | -20.8 | -176 | 0 | 0 | 0 | 0 | 0 | 113.8 | K125 V126 | K125-G160 WeakPolarHBondContact CE-O 3.48Å; V126-G160 PolarHBondContact O-N 2.87Å |
| 161 | D | 97.8 | Very high | 96.9 | Very high | 60 Ų | 60 | 55.9 Ų | 55.9 | 32% | 0.321 | 30% | 0.296 | S | S | . | . | trans | -63 | 144.6 | -178.1 | -66.9 | -12.6 | 0 | 0 | 0 | 112.3 | K125 V126 Q158 | K125-D161 CarbonylContact C-O 3.56Å; K125-D161 WeakPolarHBondContact CA-O 3.42Å; V126-D161 HydrophobicContact CB-CB 4.37Å; V126-D161 HydrophobicContact CG2-CB 4.09Å; V126-D161 WeakPolarHBondContact CG2-O 3.28Å; V126-D161 PolarHBondContact N-O 3.39Å; Q158-D161 PolarHBondContact N-OD2 3.47Å | ||
| 162 | T | 97.1 | Very high | 96.8 | Very high | 70 Ų | 70 | 63.1 Ų | 63.1 | 43% | 0.429 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 125 | 171.2 | -55 | 0 | 0 | 0 | 0 | 109.1 | E123 E124 | E123-T162 HydrophobicContact CB-CG2 3.9Å; E123-T162 HydrophobicContact CG-CG2 4.3Å; E124-T162 CarbonylContact O-C 3.49Å; E124-T162 WeakPolarHBondContact O-CA 3.48Å |
| 163 | V | 97.1 | Very high | 96.6 | Very high | 4 Ų | 4 | 65.7 Ų | 65.7 | 2% | 0.024 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 135.2 | 176.7 | -63.9 | 0 | 0 | 0 | 0 | 110.5 | E123 E124 V126 M157 | E123-V163 WeakPolarHBondContact CA-O 3.43Å; E124-V163 HydrophobicContact CB-CG2 3.89Å; E124-V163 PolarHBondContact N-O 3.03Å; E124-V163 WeakPolarHBondContact O-CG2 3.35Å; E124-V163 PolarHBondContact O-N 3.02Å; V126-V163 HydrophobicContact CG2-CG1 4.14Å; M157-V163 HydrophobicContact CE-CG1 3.97Å |
| 164 | L | 97.3 | Very high | 96.4 | Very high | 52 Ų | 52 | 68.4 Ų | 68.4 | 27% | 0.272 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 135.6 | 178.2 | -178.9 | 62.8 | 0 | 0 | 0 | 110.7 | E123 D180 A181 | E123-L164 HydrophobicContact CG-CD1 3.78Å; L164-D180 HydrophobicContact CB-CB 4.5Å; L164-D180 PolarHBondContact N-OD1 3.03Å; L164-D180 WeakPolarHBondContact O-CA 3.14Å; L164-A181 PolarHBondContact O-N 2.95Å |
| 165 | N | 97.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 113.9 | 168.8 | -54.4 | -81.7 | 0 | 0 | 0 | 108.7 | R111 F112 P121 F122 E124 | R111-N165 PolarHBondContact NH1-OD1 2.97Å; R111-N165 PolarHBondContact NH2-OD1 2.84Å; F112-N165 HydrophobicContact CD2-CB 4.48Å; P121-N165 WeakPolarHBondContact CA-O 3.38Å; F122-N165 HydrophobicContact CD2-CB 4.28Å; F122-N165 HydrophobicContact CE1-CB 4.16Å; F122-N165 HydrophobicContact CE2-CB 3.87Å; F122-N165 VanDerWaalsContact CE2-ND2 3.28Å; F122-N165 WeakPolarHBondContact CE2-ND2 3.03Å; F122-N165 HydrophobicContact CZ-CB 3.79Å; F122-N165 PolarHBondContact N-O 2.82Å; F122-N165 PolarHBondContact O-N 2.96Å; E124-N165 PolarHBondContact OE2-ND2 2.77Å; E124-N165 VanDerWaalsContact OE2-ND2 3.08Å |
| 166 | S | 96.4 | Very high | 96 | Very high | 13 Ų | 13 | 70.7 Ų | 70.7 | 9% | 0.091 | 40% | 0.401 | C | S | . | . | trans | -127.8 | 152.2 | 175.7 | 89.2 | 0 | 0 | 0 | 0 | 111.9 | A181 H182 P183 | S166-A181 PolarHBondContact N-O 2.65Å; S166-H182 PolarHBondContact OG-CE1 3.07Å; S166-H182 PolarHBondContact OG-ND1 2.81Å; S166-P183 WeakPolarHBondContact O-CD 3.48Å | ||
| 167 | N | 95.6 | Very high | 95.9 | Very high | 77 Ų | 77 | 74 Ų | 74 | 41% | 0.412 | 41% | 0.406 | S | S | . | . | trans | -113.4 | 1.8 | 171.2 | 66.2 | -22.3 | 0 | 0 | 0 | 112.5 | F112 P183 | F112-N167 HydrophobicContact CD1-CB 3.7Å; F112-N167 HydrophobicContact CD2-CB 3.94Å; F112-N167 HydrophobicContact CE1-CB 3.49Å; F112-N167 VanDerWaalsContact CE1-CB 3.49Å; F112-N167 VanDerWaalsContact CE1-CG 3.43Å; F112-N167 VanDerWaalsContact CE1-ND2 3.29Å; F112-N167 WeakPolarHBondContact CE1-ND2 3.31Å; F112-N167 HydrophobicContact CE2-CB 3.74Å; F112-N167 HydrophobicContact CG-CB 3.92Å; F112-N167 HydrophobicContact CZ-CB 3.52Å; F112-N167 VanDerWaalsContact CZ-ND2 3.28Å; F112-N167 WeakPolarHBondContact CZ-ND2 3.44Å; F112-N167 WeakPolarHBondContact CZ-OD1 3.24Å; N167-P183 WeakPolarHBondContact O-CG 3.31Å | ||
| 168 | H | 95.3 | Very high | 95.9 | Very high | 124 Ų | 124 | 76 Ų | 76 | 57% | 0.574 | 42% | 0.415 | S | S | * | . | trans | -77.7 | 130.8 | -176.9 | -178.9 | 63.5 | 0 | 0 | 0 | 110.5 | ||||
| 169 | I | 96.1 | Very high | 95.8 | Very high | 57 Ų | 57 | 69.9 Ų | 69.9 | 29% | 0.292 | 39% | 0.386 | S | S | . | . | trans | -103.4 | 99.1 | 173.6 | -55.8 | 179.8 | 0 | 0 | 0 | 107.2 | P183 E238 T239 | I169-P183 HydrophobicContact CD1-CB 4.02Å; I169-P183 HydrophobicContact CD1-CG 4.5Å; I169-P183 HydrophobicContact CG1-CB 3.78Å; I169-P183 HydrophobicContact CG1-CG 3.85Å; I169-E238 HydrophobicContact CD1-CG 4.07Å; I169-T239 HydrophobicContact CD1-CG2 3.96Å | ||
| 170 | G | 93.3 | Very high | 95.8 | Very high | 24 Ų | 24 | 67.3 Ų | 67.3 | 25% | 0.247 | 36% | 0.364 | C | S | . | . | trans | -75 | 160.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | M172 | G170-M172 VanDerWaalsContact C-N 3.26Å; G170-M172 PolarHBondContact O-N 2.85Å | ||
| 171 | R | 93.8 | Very high | 95.9 | Very high | 251 Ų | 251 | 65.6 Ų | 65.6 | 95% | 0.947 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -63.5 | -34.2 | 173.9 | -172.9 | 176.7 | -174.7 | -88.5 | 0.6 | 112.1 | ||
| 172 | M | 95.4 | Very high | 95.9 | Very high | 153 Ų | 153 | 62.9 Ų | 62.9 | 75% | 0.754 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -101.9 | 148 | 176.3 | -64.1 | 178.1 | 71.5 | 0 | 0 | 110.2 | G170 | G170-M172 VanDerWaalsContact C-N 3.26Å; G170-M172 PolarHBondContact O-N 2.85Å |
| 173 | A | 94.1 | Very high | 95.9 | Very high | 61 Ų | 61 | 59.6 Ų | 59.6 | 50% | 0.504 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 143.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | A186 P188 | A173-A186 WeakPolarHBondContact CA-O 3.32Å; A173-P188 HydrophobicContact CB-CB 4.14Å; A173-P188 HydrophobicContact CB-CG 4.46Å |
| 174 | V | 95.8 | Very high | 96 | Very high | 59 Ų | 59 | 59.4 Ų | 59.4 | 36% | 0.358 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -90.9 | 133.5 | 179.1 | -179.3 | 0 | 0 | 0 | 0 | 110.1 | A176 A186 P188 | V174-A176 VanDerWaalsContact C-N 3.28Å; V174-A176 PolarHBondContact O-N 2.75Å; V174-A186 PolarHBondContact N-O 3.02Å; V174-P188 VanDerWaalsContact O-CD 3.22Å; V174-P188 WeakPolarHBondContact O-CD 3.42Å |
| 175 | A | 93.4 | Very high | 96 | Very high | 98 Ų | 98 | 57.4 Ų | 57.4 | 81% | 0.81 | 30% | 0.302 | S | S | * | . | trans | -74.7 | 82.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 176 | A | 92.9 | Very high | 96 | Very high | 24 Ų | 24 | 57.4 Ų | 57.4 | 20% | 0.198 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -76.5 | 139.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V174 L187 V244 | V174-A176 VanDerWaalsContact C-N 3.28Å; V174-A176 PolarHBondContact O-N 2.75Å; A176-L187 HydrophobicContact CB-CD2 3.71Å; A176-V244 HydrophobicContact CB-CB 4.26Å; A176-V244 HydrophobicContact CB-CG1 4.27Å; A176-V244 HydrophobicContact CB-CG2 3.68Å |
| 177 | R | 96.1 | Very high | 96 | Very high | 175 Ų | 175 | 56.8 Ų | 56.8 | 66% | 0.66 | 30% | 0.297 | S | S | * | . | P | Polyproline II helix | trans | -86.9 | 161.9 | 174.4 | -59.4 | 172.5 | 63.7 | -168.5 | -2.1 | 110.1 | G179 D180 | R177-G179 PolarHBondContact O-N 3.11Å; R177-D180 WeakPolarHBondContact CB-OD2 3.39Å; R177-D180 PolarHBondContact N-OD2 2.86Å; R177-D180 WeakPolarHBondContact O-CB 3.39Å; R177-D180 PolarHBondContact O-N 2.81Å |
| 178 | E | 97.1 | Very high | 96.1 | Very high | 61 Ų | 61 | 55.4 Ų | 55.4 | 29% | 0.285 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | 132.2 | 173.8 | 176.4 | 163 | -149.1 | 0 | 0 | 110.8 | T154 E155 N156 R246 | T154-E178 WeakPolarHBondContact CB-OE1 3.43Å; T154-E178 HydrophobicContact CG2-CG 4.21Å; T154-E178 WeakPolarHBondContact OG1-CG 3.41Å; E155-E178 VanDerWaalsContact CB-OE1 3.31Å; E155-E178 WeakPolarHBondContact CB-OE1 3.43Å; E155-E178 PolarHBondContact N-OE1 3.31Å; N156-E178 WeakPolarHBondContact CB-OE2 3.21Å; N156-E178 PolarHBondContact N-OE2 3.05Å; N156-E178 PolarHBondContact ND2-OE2 2.98Å; E178-R246 PolarHBondContact OE1-N 3.26Å |
| 179 | G | 96.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 96.6 | -20 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | R111 R177 V244 | R111-G179 PolarHBondContact NH2-O 2.86Å; R177-G179 PolarHBondContact O-N 3.11Å; G179-V244 PolarHBondContact N-O 3.03Å |
| 180 | D | 97.8 | Very high | 96.3 | Very high | 14 Ų | 14 | 53.2 Ų | 53.2 | 8% | 0.075 | 30% | 0.3 | C | S | . | . | trans | -69.1 | 145.5 | 174.7 | -65.7 | -21.6 | 0 | 0 | 0 | 110.9 | L164 R177 T243 V244 | L164-D180 HydrophobicContact CB-CB 4.5Å; L164-D180 PolarHBondContact N-OD1 3.03Å; L164-D180 WeakPolarHBondContact O-CA 3.14Å; R177-D180 WeakPolarHBondContact CB-OD2 3.39Å; R177-D180 PolarHBondContact N-OD2 2.86Å; R177-D180 WeakPolarHBondContact O-CB 3.39Å; R177-D180 PolarHBondContact O-N 2.81Å; D180-T243 WeakPolarHBondContact O-CA 3.41Å; D180-V244 PolarHBondContact O-N 2.97Å | ||
| 181 | A | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 120.9 | 178 | 0 | 0 | 0 | 0 | 0 | 110.4 | R111 L164 S166 V241 A242 | R111-A181 HydrophobicContact CB-CB 3.67Å; R111-A181 HydrophobicContact CG-CB 4.12Å; L164-A181 PolarHBondContact O-N 2.95Å; S166-A181 PolarHBondContact N-O 2.65Å; A181-V241 HydrophobicContact CB-CG1 4.09Å; A181-A242 WeakPolarHBondContact CA-O 3.31Å |
| 182 | H | 97.9 | Very high | 96.7 | Very high | 3 Ų | 3 | 44.9 Ų | 44.9 | 1% | 0.014 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 158.9 | -178.6 | -65.3 | -64.5 | 0 | 0 | 0 | 110.6 | S166 A186 L187 A242 | S166-H182 PolarHBondContact OG-CE1 3.07Å; S166-H182 PolarHBondContact OG-ND1 2.81Å; H182-A186 HydrophobicContact CB-CB 4.46Å; H182-L187 HydrophobicContact CB-CD2 3.94Å; H182-L187 HydrophobicContact CB-CG 4.19Å; H182-A242 PolarHBondContact N-O 3.18Å; H182-A242 PolarHBondContact O-N 3.38Å; H182-A242 VanDerWaalsContact O-O 3.09Å |
| 183 | P | 97.9 | Very high | 96.9 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.013 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 149.3 | 167 | -15.6 | 31 | 0 | 0 | 0 | 110.7 | S166 N167 I169 G185 A186 E238 C240 | S166-P183 WeakPolarHBondContact O-CD 3.48Å; N167-P183 WeakPolarHBondContact O-CG 3.31Å; I169-P183 HydrophobicContact CD1-CB 4.02Å; I169-P183 HydrophobicContact CD1-CG 4.5Å; I169-P183 HydrophobicContact CG1-CB 3.78Å; I169-P183 HydrophobicContact CG1-CG 3.85Å; P183-G185 PolarHBondContact O-N 3.32Å; P183-G185 VanDerWaalsContact O-N 3.17Å; P183-A186 PolarHBondContact O-N 2.92Å; P183-E238 WeakPolarHBondContact CB-O 3.42Å; P183-C240 WeakPolarHBondContact CA-O 3.44Å |
| 184 | L | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -58.5 | -30.3 | 177 | -67.3 | 173.2 | 0 | 0 | 0 | 112.5 | A186 L187 I193 K219 A224 I226 V236 E238 C240 A242 | L184-A186 VanDerWaalsContact C-N 3.27Å; L184-A186 PolarHBondContact O-N 2.94Å; L184-L187 HydrophobicContact CD2-CD1 4.49Å; L184-L187 PolarHBondContact O-N 2.84Å; L184-I193 HydrophobicContact CD2-CD1 3.7Å; L184-K219 WeakPolarHBondContact O-CE 3.49Å; L184-K219 PolarHBondContact O-NZ 3.43Å; L184-A224 HydrophobicContact CB-CB 3.7Å; L184-A224 HydrophobicContact CD1-CB 3.82Å; L184-A224 HydrophobicContact CG-CB 4.36Å; L184-I226 HydrophobicContact CD1-CG2 4.19Å; L184-I226 HydrophobicContact CD2-CG2 4.42Å; L184-V236 HydrophobicContact CD1-CG2 3.3Å; L184-E238 PolarHBondContact N-O 2.98Å; L184-E238 VanDerWaalsContact N-O 3.12Å; L184-C240 HydrophobicContact CD1-CB 4.2Å; L184-C240 PolarHBondContact N-O 3.02Å; L184-A242 HydrophobicContact CD2-CB 3.66Å; L184-A242 HydrophobicContact CG-CB 4.33Å |
| 185 | G | 97.3 | Very high | 97.2 | Very high | 10 Ų | 10 | 32.5 Ų | 32.5 | 10% | 0.103 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -62.4 | -28.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114 | P183 K219 E238 | P183-G185 PolarHBondContact O-N 3.32Å; P183-G185 VanDerWaalsContact O-N 3.17Å; G185-K219 PolarHBondContact O-NZ 2.77Å; G185-E238 PolarHBondContact N-O 2.82Å |
| 186 | A | 97.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -87.3 | -17.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | A173 V174 H182 P183 L184 | A173-A186 WeakPolarHBondContact CA-O 3.32Å; V174-A186 PolarHBondContact N-O 3.02Å; H182-A186 HydrophobicContact CB-CB 4.46Å; P183-A186 PolarHBondContact O-N 2.92Å; L184-A186 VanDerWaalsContact C-N 3.27Å; L184-A186 PolarHBondContact O-N 2.94Å |
| 187 | L | 97.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -86 | 143.9 | -173.7 | -66.7 | 176.8 | 0 | 0 | 0 | 112.8 | A176 H182 L184 I193 L216 K219 V244 | A176-L187 HydrophobicContact CB-CD2 3.71Å; H182-L187 HydrophobicContact CB-CD2 3.94Å; H182-L187 HydrophobicContact CB-CG 4.19Å; L184-L187 HydrophobicContact CD2-CD1 4.49Å; L184-L187 PolarHBondContact O-N 2.84Å; L187-I193 HydrophobicContact CD1-CG2 3.78Å; L187-L216 HydrophobicContact CB-CD2 4.05Å; L187-K219 VanDerWaalsContact O-CE 3.23Å; L187-K219 WeakPolarHBondContact O-CE 3.43Å; L187-K219 PolarHBondContact O-NZ 2.84Å; L187-V244 HydrophobicContact CD1-CG2 3.91Å; L187-V244 HydrophobicContact CD2-CG2 3.52Å; L187-V244 HydrophobicContact CG-CG2 4.39Å |
| 188 | P | 97.8 | Very high | 97.6 | Very high | 47 Ų | 47 | 18.8 Ų | 18.8 | 31% | 0.305 | 12% | 0.119 | S | C | . | . | P | Polyproline II helix | trans | -65.8 | 152.1 | 172.1 | 17 | -21 | 0 | 0 | 0 | 111.8 | A173 V174 T191 | A173-P188 HydrophobicContact CB-CB 4.14Å; A173-P188 HydrophobicContact CB-CG 4.46Å; V174-P188 VanDerWaalsContact O-CD 3.22Å; V174-P188 WeakPolarHBondContact O-CD 3.42Å; P188-T191 HydrophobicContact CB-CG2 4.24Å; P188-T191 HydrophobicContact CG-CG2 3.51Å; P188-T191 WeakPolarHBondContact O-CB 3.38Å; P188-T191 WeakPolarHBondContact O-CG2 3.45Å; P188-T191 PolarHBondContact O-N 2.88Å; P188-T191 PolarHBondContact O-OG1 3.23Å |
| 189 | V | 97.6 | Very high | 97.6 | Very high | 89 Ų | 89 | 20.1 Ų | 20.1 | 54% | 0.539 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | 143.3 | 173.6 | 174.5 | 0 | 0 | 0 | 0 | 109.6 | T191 L217 | V189-T191 VanDerWaalsContact C-N 3.32Å; V189-L217 WeakPolarHBondContact CG1-O 3.3Å |
| 190 | G | 97.2 | Very high | 97.6 | Very high | 47 Ų | 47 | 22.9 Ų | 22.9 | 49% | 0.485 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | -3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | L216 | G190-L216 WeakPolarHBondContact CA-O 3.31Å; G190-L216 PolarHBondContact N-O 3.2Å |
| 191 | T | 97.9 | Very high | 97.5 | Very high | 24 Ų | 24 | 24.7 Ų | 24.7 | 15% | 0.147 | 17% | 0.165 | C | C | . | . | trans | -63.7 | 139.3 | 176.6 | 44.8 | 0 | 0 | 0 | 0 | 112.5 | P188 V189 V215 L216 | P188-T191 HydrophobicContact CB-CG2 4.24Å; P188-T191 HydrophobicContact CG-CG2 3.51Å; P188-T191 WeakPolarHBondContact O-CB 3.38Å; P188-T191 WeakPolarHBondContact O-CG2 3.45Å; P188-T191 PolarHBondContact O-N 2.88Å; P188-T191 PolarHBondContact O-OG1 3.23Å; V189-T191 VanDerWaalsContact C-N 3.32Å; T191-V215 WeakPolarHBondContact O-CA 3.31Å; T191-L216 PolarHBondContact O-N 2.95Å; T191-L216 VanDerWaalsContact O-N 3.11Å | ||
| 192 | L | 98.4 | Very high | 97.4 | Very high | 76 Ų | 76 | 32.7 Ų | 32.7 | 40% | 0.398 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 126.7 | 170.7 | -61 | -176.4 | 0 | 0 | 0 | 109.4 | G214 V215 G245 R246 | L192-G214 WeakPolarHBondContact CA-O 3.29Å; L192-V215 HydrophobicContact CD2-CG2 3.84Å; L192-G245 PolarHBondContact O-N 3.05Å; L192-R246 HydrophobicContact CD1-CG 4.17Å |
| 193 | I | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 154 | -176.7 | 59.1 | 173.5 | 0 | 0 | 0 | 111.7 | L184 L187 V196 G214 I226 A242 T243 G245 | L184-I193 HydrophobicContact CD2-CD1 3.7Å; L187-I193 HydrophobicContact CD1-CG2 3.78Å; I193-V196 HydrophobicContact CD1-CG2 3.81Å; I193-V196 HydrophobicContact CG1-CG2 4.2Å; I193-G214 PolarHBondContact N-O 2.77Å; I193-G214 PolarHBondContact O-N 2.95Å; I193-I226 HydrophobicContact CD1-CB 4.38Å; I193-I226 HydrophobicContact CD1-CG2 3.84Å; I193-A242 HydrophobicContact CB-CB 4.3Å; I193-A242 HydrophobicContact CD1-CB 4.46Å; I193-A242 HydrophobicContact CG2-CB 4.42Å; I193-T243 CarbonylContact C-O 3.52Å; I193-T243 WeakPolarHBondContact CA-O 3.4Å; I193-G245 CarbonylContact C-O 3.6Å |
| 194 | N | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 174.7 | 171 | 68.6 | 55.9 | 0 | 0 | 0 | 110.9 | V196 I207 T243 G245 R246 V247 | N194-V196 PolarHBondContact O-N 2.67Å; N194-I207 HydrophobicContact CB-CG2 3.96Å; N194-T243 PolarHBondContact N-O 3.49Å; N194-T243 PolarHBondContact O-N 3.26Å; N194-T243 WeakPolarHBondContact OD1-CB 3.25Å; N194-G245 VanDerWaalsContact ND2-C 3.35Å; N194-G245 PolarHBondContact ND2-O 3.42Å; N194-R246 PolarHBondContact ND2-O 3.08Å; N194-V247 HydrophobicContact CB-CG2 3.7Å |
| 195 | N | 98.1 | Very high | 97.2 | Very high | 12 Ų | 12 | 36.6 Ų | 36.6 | 6% | 0.064 | 22% | 0.216 | C | C | . | . | S | Bend | trans | 52 | 52.7 | 178 | -66.2 | -42 | 0 | 0 | 0 | 113.5 | I152 A204 Y206 I207 R208 | I152-N195 VanDerWaalsContact CD1-OD1 3.23Å; I152-N195 WeakPolarHBondContact CD1-OD1 3.41Å; N195-A204 VanDerWaalsContact C-CB 3.48Å; N195-A204 HydrophobicContact CB-CB 3.64Å; N195-A204 WeakPolarHBondContact O-CB 3.36Å; N195-Y206 WeakPolarHBondContact CA-O 3.5Å; N195-I207 PolarHBondContact N-O 3.32Å; N195-R208 WeakPolarHBondContact OD1-CG 3.39Å |
| 196 | V | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 138.8 | -175 | -173.6 | 0 | 0 | 0 | 0 | 111.6 | I193 N194 Q205 Y206 I207 I226 M234 A242 | I193-V196 HydrophobicContact CD1-CG2 3.81Å; I193-V196 HydrophobicContact CG1-CG2 4.2Å; N194-V196 PolarHBondContact O-N 2.67Å; V196-Q205 PolarHBondContact O-N 3.24Å; V196-Y206 PolarHBondContact N-O 3.08Å; V196-Y206 PolarHBondContact O-N 2.69Å; V196-I207 HydrophobicContact CG2-CD1 4.02Å; V196-I226 HydrophobicContact CB-CD1 4.19Å; V196-I226 HydrophobicContact CG1-CD1 3.68Å; V196-I226 HydrophobicContact CG2-CD1 4.2Å; V196-M234 HydrophobicContact CG1-CE 4.37Å; V196-A242 HydrophobicContact CG2-CB 4.2Å |
| 197 | E | 97.1 | Very high | 97.3 | Very high | 3 Ų | 3 | 39.9 Ų | 39.9 | 1% | 0.014 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 144.7 | 173.5 | -55.9 | -170.9 | 159 | 0 | 0 | 111.8 | L110 G201 G203 C240 V241 | L110-E197 WeakPolarHBondContact CD1-OE1 3.28Å; E197-G201 PolarHBondContact OE2-N 3.32Å; E197-G203 WeakPolarHBondContact OE1-CA 3.41Å; E197-C240 HydrophobicContact CB-CB 4.29Å; E197-V241 WeakPolarHBondContact CG-O 3.15Å |
| 198 | S | 95.9 | Very high | 97.3 | Very high | 7 Ų | 7 | 44.5 Ų | 44.5 | 5% | 0.049 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -75.9 | -43.1 | 174.7 | -52.6 | 0 | 0 | 0 | 0 | 111.6 | Q205 Y206 | S198-Q205 PolarHBondContact OG-OE1 3.04Å; S198-Y206 WeakPolarHBondContact OG-CE2 3.49Å |
| 199 | E | 96.4 | Very high | 97.4 | Very high | 88 Ų | 88 | 44.3 Ų | 44.3 | 41% | 0.411 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -136.9 | 151.5 | -179.4 | -66.5 | 175.1 | 172.7 | 0 | 0 | 107.6 | G201 R202 C240 | E199-G201 PolarHBondContact O-N 3.18Å; E199-R202 HydrophobicContact CB-CB 4.27Å; E199-R202 VanDerWaalsContact O-CB 3.23Å; E199-R202 WeakPolarHBondContact O-CB 3.44Å; E199-R202 PolarHBondContact O-N 3.21Å; E199-R202 VanDerWaalsContact O-N 3.08Å; E199-C240 VanDerWaalsContact C-SG 3.57Å |
| 200 | P | 96.7 | Very high | 97.4 | Very high | 59 Ų | 59 | 40.9 Ų | 40.9 | 38% | 0.383 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 126.4 | -176.8 | -24.2 | 34.6 | 0 | 0 | 0 | 111.6 | R202 L237 T239 C240 | P200-R202 PolarHBondContact O-N 3.48Å; P200-L237 HydrophobicContact CG-CB 4.24Å; P200-L237 HydrophobicContact CG-CD1 3.91Å; P200-T239 WeakPolarHBondContact CG-OG1 3.36Å; P200-C240 VanDerWaalsContact CD-SG 3.6Å |
| 201 | G | 94.9 | Very high | 97.4 | Very high | 52 Ų | 52 | 39.4 Ų | 39.4 | 54% | 0.536 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | -1.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | E197 E199 G203 | E197-G201 PolarHBondContact OE2-N 3.32Å; E199-G201 PolarHBondContact O-N 3.18Å; G201-G203 PolarHBondContact O-N 3.19Å |
| 202 | R | 96.3 | Very high | 97.4 | Very high | 167 Ų | 167 | 39.8 Ų | 39.8 | 63% | 0.63 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -70.4 | -18.1 | 175.5 | -168.8 | 59 | 174.5 | 179 | 0 | 112.6 | E199 P200 | E199-R202 HydrophobicContact CB-CB 4.27Å; E199-R202 VanDerWaalsContact O-CB 3.23Å; E199-R202 WeakPolarHBondContact O-CB 3.44Å; E199-R202 PolarHBondContact O-N 3.21Å; E199-R202 VanDerWaalsContact O-N 3.08Å; P200-R202 PolarHBondContact O-N 3.48Å |
| 203 | G | 95.9 | Very high | 97.4 | Very high | 7 Ų | 7 | 38 Ų | 38 | 7% | 0.072 | 21% | 0.208 | C | C | . | . | trans | 80.7 | 159.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E197 G201 Q205 | E197-G203 WeakPolarHBondContact OE1-CA 3.41Å; G201-G203 PolarHBondContact O-N 3.19Å; G203-Q205 PolarHBondContact O-N 3.22Å | ||
| 204 | A | 97.4 | Very high | 97.4 | Very high | 3 Ų | 3 | 38 Ų | 38 | 3% | 0.025 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 121.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | F109 N195 R208 | F109-A204 HydrophobicContact CB-CB 4.11Å; F109-A204 HydrophobicContact CD1-CB 4.48Å; F109-A204 WeakPolarHBondContact O-CB 3.29Å; F109-A204 PolarHBondContact O-N 3.44Å; N195-A204 VanDerWaalsContact C-CB 3.48Å; N195-A204 HydrophobicContact CB-CB 3.64Å; N195-A204 WeakPolarHBondContact O-CB 3.36Å; A204-R208 WeakPolarHBondContact O-CD 3.3Å; A204-R208 PolarHBondContact O-NH1 2.81Å |
| 205 | Q | 97.4 | Very high | 97.4 | Very high | 78 Ų | 78 | 40 Ų | 40 | 36% | 0.364 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | -35.7 | 178.2 | -67.1 | -173.2 | -19.8 | 0 | 0 | 112.1 | V196 S198 G203 R208 | V196-Q205 PolarHBondContact O-N 3.24Å; S198-Q205 PolarHBondContact OG-OE1 3.04Å; G203-Q205 PolarHBondContact O-N 3.22Å; Q205-R208 PolarHBondContact O-NE 3.03Å; Q205-R208 VanDerWaalsContact O-NE 3.09Å; Q205-R208 PolarHBondContact O-NH2 3.02Å |
| 206 | Y | 98.2 | Very high | 97.4 | Very high | 65 Ų | 65 | 39.4 Ų | 39.4 | 26% | 0.255 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 159.6 | -175.2 | -58.7 | -73 | 0 | 0 | 0 | 112.8 | N195 V196 S198 R208 M234 Y295 | N195-Y206 WeakPolarHBondContact CA-O 3.5Å; V196-Y206 PolarHBondContact N-O 3.08Å; V196-Y206 PolarHBondContact O-N 2.69Å; S198-Y206 WeakPolarHBondContact OG-CE2 3.49Å; Y206-R208 WeakPolarHBondContact O-CG 3.44Å; Y206-R208 PolarHBondContact O-N 3.27Å; Y206-M234 HydrophobicContact CD2-CE 3.71Å; Y206-M234 HydrophobicContact CD2-SD 3.98Å; Y206-M234 HydrophobicContact CE2-CE 3.89Å; Y206-M234 HydrophobicContact CE2-SD 3.74Å; Y206-M234 HydrophobicContact CG-CE 4.5Å; Y206-Y295 PolarHBondContact OH-OH 3.38Å |
| 207 | I | 98.1 | Very high | 97.4 | Very high | 13 Ų | 13 | 41.8 Ų | 41.8 | 7% | 0.067 | 23% | 0.229 | C | C | . | . | S | Bend | trans | 55.4 | 54.7 | 171.7 | -37.9 | -175.2 | 0 | 0 | 0 | 112.3 | N194 N195 V196 L228 P229 | N194-I207 HydrophobicContact CB-CG2 3.96Å; N195-I207 PolarHBondContact N-O 3.32Å; V196-I207 HydrophobicContact CG2-CD1 4.02Å; I207-L228 HydrophobicContact CD1-CD2 4.06Å; I207-L228 HydrophobicContact CG1-CD2 4.1Å; I207-P229 HydrophobicContact CG1-CG 4.31Å; I207-P229 HydrophobicContact CG2-CG 4.16Å |
| 208 | R | 98.3 | Very high | 97.5 | Very high | 97 Ų | 97 | 47.3 Ų | 47.3 | 37% | 0.366 | 25% | 0.25 | S | C | . | . | trans | -110.7 | -7.1 | -177.2 | -58.2 | -166.4 | -79.5 | -179.2 | -3.8 | 114.2 | F109 I152 N195 A204 Q205 Y206 | F109-R208 VanDerWaalsContact CZ-NH1 3.35Å; I152-R208 HydrophobicContact CD1-CB 3.84Å; I152-R208 HydrophobicContact CD1-CG 4.19Å; N195-R208 WeakPolarHBondContact OD1-CG 3.39Å; A204-R208 WeakPolarHBondContact O-CD 3.3Å; A204-R208 PolarHBondContact O-NH1 2.81Å; Q205-R208 PolarHBondContact O-NE 3.03Å; Q205-R208 VanDerWaalsContact O-NE 3.09Å; Q205-R208 PolarHBondContact O-NH2 3.02Å; Y206-R208 WeakPolarHBondContact O-CG 3.44Å; Y206-R208 PolarHBondContact O-N 3.27Å | ||
| 209 | A | 98.3 | Very high | 97.5 | Very high | 44 Ų | 44 | 50.4 Ų | 50.4 | 36% | 0.364 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -85.4 | 153.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111 | G211 T212 V247 | A209-G211 PolarHBondContact O-N 3.32Å; A209-T212 HydrophobicContact CB-CG2 3.8Å; A209-T212 PolarHBondContact N-OG1 3.44Å; A209-T212 WeakPolarHBondContact O-CB 3.39Å; A209-T212 PolarHBondContact O-N 3.44Å; A209-T212 VanDerWaalsContact O-N 3.1Å; A209-T212 PolarHBondContact O-OG1 3.37Å; A209-V247 VanDerWaalsContact O-CB 3.25Å; A209-V247 WeakPolarHBondContact O-CB 3.37Å; A209-V247 WeakPolarHBondContact O-CG1 3.48Å |
| 210 | A | 98.3 | Very high | 97.5 | Very high | 17 Ų | 17 | 49 Ų | 49 | 14% | 0.14 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.6 | 132.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S136 A137 T212 S248 N249 H252 | S136-A210 PolarHBondContact OG-N 2.77Å; A137-A210 HydrophobicContact CB-CB 4.44Å; A210-T212 PolarHBondContact O-N 3.2Å; A210-T212 VanDerWaalsContact O-N 3.09Å; A210-S248 VanDerWaalsContact CA-O 3.29Å; A210-S248 WeakPolarHBondContact CA-O 3.24Å; A210-N249 HydrophobicContact CB-CB 4.09Å; A210-N249 WeakPolarHBondContact CB-O 3.4Å; A210-H252 HydrophobicContact CB-CB 3.85Å |
| 211 | G | 97.3 | Very high | 97.4 | Very high | 16 Ų | 16 | 53.9 Ų | 53.9 | 17% | 0.165 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | 1 | 179 | 0 | 0 | 0 | 0 | 0 | 116.5 | A209 V247 S248 | A209-G211 PolarHBondContact O-N 3.32Å; G211-V247 VanDerWaalsContact CA-O 3.31Å; G211-V247 WeakPolarHBondContact CA-O 3.28Å; G211-V247 PolarHBondContact N-O 3.32Å; G211-V247 VanDerWaalsContact N-O 3.09Å; G211-S248 PolarHBondContact N-O 3.16Å |
| 212 | T | 98.4 | Very high | 97.3 | Very high | 32 Ų | 32 | 52.9 Ų | 52.9 | 20% | 0.196 | 27% | 0.272 | C | S | . | . | trans | -79.1 | 146.1 | -179.9 | 62.6 | 0 | 0 | 0 | 0 | 112 | A209 A210 P229 V247 | A209-T212 HydrophobicContact CB-CG2 3.8Å; A209-T212 PolarHBondContact N-OG1 3.44Å; A209-T212 WeakPolarHBondContact O-CB 3.39Å; A209-T212 PolarHBondContact O-N 3.44Å; A209-T212 VanDerWaalsContact O-N 3.1Å; A209-T212 PolarHBondContact O-OG1 3.37Å; A210-T212 PolarHBondContact O-N 3.2Å; A210-T212 VanDerWaalsContact O-N 3.09Å; T212-P229 HydrophobicContact CG2-CG 4.4Å; T212-V247 WeakPolarHBondContact O-CG2 3.44Å; T212-V247 PolarHBondContact O-N 3.38Å | ||
| 213 | C | 98.3 | Very high | 97.4 | Very high | 38 Ų | 38 | 45.3 Ų | 45.3 | 26% | 0.257 | 25% | 0.245 | S | C | . | . | trans | -148.7 | 150.9 | 172.9 | 57.8 | 0 | 0 | 0 | 0 | 109.7 | R246 | C213-R246 HydrophobicContact CB-CB 4.32Å; C213-R246 HydrophobicContact CB-CG 3.78Å | ||
| 214 | G | 98.1 | Very high | 97.4 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 172 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | L192 I193 Q227 | L192-G214 WeakPolarHBondContact CA-O 3.29Å; I193-G214 PolarHBondContact N-O 2.77Å; I193-G214 PolarHBondContact O-N 2.95Å; G214-Q227 WeakPolarHBondContact CA-O 3.38Å |
| 215 | V | 98.4 | Very high | 97.5 | Very high | 40 Ų | 40 | 45.1 Ų | 45.1 | 24% | 0.242 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 135.9 | 179.1 | -173.8 | 0 | 0 | 0 | 0 | 108.9 | T191 L192 L217 I226 Q227 | T191-V215 WeakPolarHBondContact O-CA 3.31Å; L192-V215 HydrophobicContact CD2-CG2 3.84Å; V215-L217 HydrophobicContact CG1-CD2 4.47Å; V215-L217 PolarHBondContact O-N 3.45Å; V215-I226 WeakPolarHBondContact O-CA 3.42Å; V215-Q227 PolarHBondContact N-O 2.93Å; V215-Q227 PolarHBondContact O-N 3.14Å |
| 216 | L | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 115.6 | 169.4 | -178.5 | 59.2 | 0 | 0 | 0 | 109.7 | L187 G190 T191 A224 I226 | L187-L216 HydrophobicContact CB-CD2 4.05Å; G190-L216 WeakPolarHBondContact CA-O 3.31Å; G190-L216 PolarHBondContact N-O 3.2Å; T191-L216 PolarHBondContact O-N 2.95Å; T191-L216 VanDerWaalsContact O-N 3.11Å; L216-A224 HydrophobicContact CD1-CB 3.87Å; L216-I226 HydrophobicContact CD1-CG2 4.11Å |
| 217 | L | 98.3 | Very high | 97.5 | Very high | 50 Ų | 50 | 41.2 Ų | 41.2 | 26% | 0.262 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | -50.5 | -173 | -65.1 | -179 | 0 | 0 | 0 | 113.4 | V189 V215 I225 Q227 Q233 | V189-L217 WeakPolarHBondContact CG1-O 3.3Å; V215-L217 HydrophobicContact CG1-CD2 4.47Å; V215-L217 PolarHBondContact O-N 3.45Å; L217-I225 HydrophobicContact CB-CG2 4.45Å; L217-I225 WeakPolarHBondContact CB-O 3.39Å; L217-I225 HydrophobicContact CD1-CG2 4.24Å; L217-I225 PolarHBondContact N-O 3.13Å; L217-Q227 HydrophobicContact CD1-CB 4.01Å; L217-Q227 HydrophobicContact CD2-CB 4.19Å; L217-Q227 HydrophobicContact CG-CB 4.06Å; L217-Q233 HydrophobicContact CD1-CG 3.96Å |
| 218 | R | 97.7 | Very high | 97.5 | Very high | 120 Ų | 120 | 41.8 Ų | 41.8 | 45% | 0.453 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.8 | 165.9 | 179.5 | 63.2 | -179 | -179.5 | -83.9 | -1.8 | 110.8 | V220 I225 | R218-V220 HydrophobicContact CG-CG2 4.42Å; R218-I225 HydrophobicContact CG-CB 4.19Å; R218-I225 HydrophobicContact CG-CD1 3.99Å; R218-I225 HydrophobicContact CG-CG1 4.45Å; R218-I225 PolarHBondContact O-N 3.08Å |
| 219 | K | 97.2 | Very high | 97.5 | Very high | 71 Ų | 71 | 40.5 Ų | 40.5 | 31% | 0.309 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 136.3 | 175.2 | -57.2 | 175.6 | -172 | 173.2 | 0 | 109.1 | L184 G185 L187 T223 | L184-K219 WeakPolarHBondContact O-CE 3.49Å; L184-K219 PolarHBondContact O-NZ 3.43Å; G185-K219 PolarHBondContact O-NZ 2.77Å; L187-K219 VanDerWaalsContact O-CE 3.23Å; L187-K219 WeakPolarHBondContact O-CE 3.43Å; L187-K219 PolarHBondContact O-NZ 2.84Å; K219-T223 CarbonylContact C-O 3.53Å; K219-T223 VanDerWaalsContact CA-O 3.24Å; K219-T223 WeakPolarHBondContact CA-O 3.47Å |
| 220 | V | 96.5 | Very high | 97.5 | Very high | 60 Ų | 60 | 42.5 Ų | 42.5 | 36% | 0.364 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 123.9 | -179.5 | -177.3 | 0 | 0 | 0 | 0 | 108.3 | R218 G222 T223 | R218-V220 HydrophobicContact CG-CG2 4.42Å; V220-G222 PolarHBondContact O-N 2.85Å; V220-T223 PolarHBondContact N-O 3.03Å; V220-T223 WeakPolarHBondContact O-CA 3.38Å; V220-T223 WeakPolarHBondContact O-CB 3.46Å; V220-T223 PolarHBondContact O-N 3.42Å; V220-T223 PolarHBondContact O-OG1 3.3Å |
| 221 | N | 94.3 | Very high | 97.5 | Very high | 161 Ų | 161 | 48.8 Ų | 48.8 | 86% | 0.861 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.1 | 50.8 | 172 | -58.3 | -11.7 | 0 | 0 | 0 | 114.1 | T223 | N221-T223 PolarHBondContact O-N 3.09Š|
| 222 | G | 93.1 | Very high | 97.5 | Very high | 30 Ų | 30 | 52 Ų | 52 | 31% | 0.309 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | 13.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | V220 E238 | V220-G222 PolarHBondContact O-N 2.85Å; G222-E238 VanDerWaalsContact CA-CD 3.49Å; G222-E238 WeakPolarHBondContact O-CB 3.46Å; G222-E238 VanDerWaalsContact O-CG 3.31Å; G222-E238 WeakPolarHBondContact O-CG 3.36Å; G222-E238 PolarHBondContact O-N 3.37Å |
| 223 | T | 96.9 | Very high | 97.5 | Very high | 9 Ų | 9 | 53.9 Ų | 53.9 | 6% | 0.055 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 145.9 | 177.6 | 74.5 | 0 | 0 | 0 | 0 | 110.5 | K219 V220 N221 Q235 V236 L237 V296 | K219-T223 CarbonylContact C-O 3.53Å; K219-T223 VanDerWaalsContact CA-O 3.24Å; K219-T223 WeakPolarHBondContact CA-O 3.47Å; V220-T223 PolarHBondContact N-O 3.03Å; V220-T223 WeakPolarHBondContact O-CA 3.38Å; V220-T223 WeakPolarHBondContact O-CB 3.46Å; V220-T223 PolarHBondContact O-N 3.42Å; V220-T223 PolarHBondContact O-OG1 3.3Å; N221-T223 PolarHBondContact O-N 3.09Å; T223-Q235 PolarHBondContact OG1-NE2 3.42Å; T223-V236 CarbonylContact C-O 3.6Å; T223-V236 VanDerWaalsContact CA-O 3.3Å; T223-V236 WeakPolarHBondContact CA-O 3.23Å; T223-V236 WeakPolarHBondContact CB-O 3.12Å; T223-L237 HydrophobicContact CG2-CD2 4.4Å; T223-V296 HydrophobicContact CG2-CB 4.42Å; T223-V296 HydrophobicContact CG2-CG1 4.09Å; T223-V296 HydrophobicContact CG2-CG2 3.65Å |
| 224 | A | 97.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 133.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | L184 L216 Q235 V236 | L184-A224 HydrophobicContact CB-CB 3.7Å; L184-A224 HydrophobicContact CD1-CB 3.82Å; L184-A224 HydrophobicContact CG-CB 4.36Å; L216-A224 HydrophobicContact CD1-CB 3.87Å; A224-Q235 WeakPolarHBondContact O-CA 3.21Å; A224-V236 HydrophobicContact CB-CG2 4.36Å; A224-V236 PolarHBondContact N-O 3.25Å; A224-V236 PolarHBondContact O-N 3.23Å |
| 225 | I | 98.3 | Very high | 97.5 | Very high | 5 Ų | 5 | 53.9 Ų | 53.9 | 3% | 0.026 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 119.8 | 173.4 | -61.4 | 175.5 | 0 | 0 | 0 | 108.2 | L217 R218 Q233 M234 Q235 M292 | L217-I225 HydrophobicContact CB-CG2 4.45Å; L217-I225 WeakPolarHBondContact CB-O 3.39Å; L217-I225 HydrophobicContact CD1-CG2 4.24Å; L217-I225 PolarHBondContact N-O 3.13Å; R218-I225 HydrophobicContact CG-CB 4.19Å; R218-I225 HydrophobicContact CG-CD1 3.99Å; R218-I225 HydrophobicContact CG-CG1 4.45Å; R218-I225 PolarHBondContact O-N 3.08Å; I225-Q233 HydrophobicContact CG2-CB 4.42Å; I225-M234 WeakPolarHBondContact CA-O 3.36Å; I225-Q235 HydrophobicContact CG1-CB 4.36Å; I225-Q235 HydrophobicContact CG1-CG 4.28Å; I225-M292 HydrophobicContact CD1-SD 4.01Å; I225-M292 HydrophobicContact CG1-SD 4.16Å; I225-M292 HydrophobicContact CG2-SD 4.03Å |
| 226 | I | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 149.7 | 179.8 | 70.8 | 174.2 | 0 | 0 | 0 | 110.6 | L184 I193 V196 V215 L216 L228 Q233 M234 V236 | L184-I226 HydrophobicContact CD1-CG2 4.19Å; L184-I226 HydrophobicContact CD2-CG2 4.42Å; I193-I226 HydrophobicContact CD1-CB 4.38Å; I193-I226 HydrophobicContact CD1-CG2 3.84Å; V196-I226 HydrophobicContact CB-CD1 4.19Å; V196-I226 HydrophobicContact CG1-CD1 3.68Å; V196-I226 HydrophobicContact CG2-CD1 4.2Å; V215-I226 WeakPolarHBondContact O-CA 3.42Å; L216-I226 HydrophobicContact CD1-CG2 4.11Å; I226-L228 HydrophobicContact CD1-CD2 4.13Å; I226-Q233 CarbonylContact O-C 3.59Å; I226-Q233 WeakPolarHBondContact O-CA 3.23Å; I226-M234 HydrophobicContact CD1-CB 4.36Å; I226-M234 HydrophobicContact CD1-CE 3.33Å; I226-M234 HydrophobicContact CD1-SD 4.46Å; I226-M234 HydrophobicContact CG1-CB 3.83Å; I226-M234 HydrophobicContact CG1-CE 4.12Å; I226-M234 PolarHBondContact N-O 2.77Å; I226-M234 PolarHBondContact O-N 3.27Å; I226-V236 HydrophobicContact CG2-CG2 4.47Å |
| 227 | Q | 98.5 | Very high | 97.5 | Very high | 62 Ų | 62 | 55.1 Ų | 55.1 | 29% | 0.29 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 123.7 | 168.4 | -165.7 | 175.1 | 23.9 | 0 | 0 | 110.1 | G214 V215 L217 | G214-Q227 WeakPolarHBondContact CA-O 3.38Å; V215-Q227 PolarHBondContact N-O 2.93Å; V215-Q227 PolarHBondContact O-N 3.14Å; L217-Q227 HydrophobicContact CD1-CB 4.01Å; L217-Q227 HydrophobicContact CD2-CB 4.19Å; L217-Q227 HydrophobicContact CG-CB 4.06Å |
| 228 | L | 98.4 | Very high | 97.4 | Very high | 24 Ų | 24 | 55.7 Ų | 55.7 | 13% | 0.126 | 28% | 0.284 | C | S | . | . | trans | -78.7 | 162.3 | 174.8 | -63.1 | 177.4 | 0 | 0 | 0 | 111.2 | I207 I226 S230 K231 R232 M234 | I207-L228 HydrophobicContact CD1-CD2 4.06Å; I207-L228 HydrophobicContact CG1-CD2 4.1Å; I226-L228 HydrophobicContact CD1-CD2 4.13Å; L228-S230 PolarHBondContact O-N 2.74Å; L228-K231 WeakPolarHBondContact O-CA 3.42Å; L228-K231 PolarHBondContact O-N 3.22Å; L228-R232 WeakPolarHBondContact CB-O 3.49Å; L228-R232 PolarHBondContact N-O 2.77Å; L228-M234 HydrophobicContact CD1-CB 4.44Å; L228-M234 HydrophobicContact CD1-SD 4.34Å; L228-M234 HydrophobicContact CD2-SD 4.42Å; L228-M234 HydrophobicContact CG-CB 4.44Å | ||
| 229 | P | 98.3 | Very high | 97.4 | Very high | 71 Ų | 71 | 53.3 Ų | 53.3 | 46% | 0.461 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -23.8 | 175.2 | -25.4 | 31.7 | 0 | 0 | 0 | 114.5 | I207 T212 K231 | I207-P229 HydrophobicContact CG1-CG 4.31Å; I207-P229 HydrophobicContact CG2-CG 4.16Å; T212-P229 HydrophobicContact CG2-CG 4.4Å; P229-K231 PolarHBondContact O-N 3.13Å |
| 230 | S | 97.3 | Very high | 97.4 | Very high | 86 Ų | 86 | 49.9 Ų | 49.9 | 60% | 0.601 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | 6.1 | 174.2 | 60.1 | 0 | 0 | 0 | 0 | 114 | L228 R232 | L228-S230 PolarHBondContact O-N 2.74Å; S230-R232 PolarHBondContact O-N 3.46Å; S230-R232 VanDerWaalsContact O-N 3.13Å |
| 231 | K | 98.2 | Very high | 97.4 | Very high | 148 Ų | 148 | 47.6 Ų | 47.6 | 64% | 0.643 | 25% | 0.254 | S | S | * | . | S | Bend | trans | 65.1 | -1.2 | -171.2 | -53.3 | 179.3 | 179.2 | -176.7 | 0 | 115 | L228 P229 L289 | L228-K231 WeakPolarHBondContact O-CA 3.42Å; L228-K231 PolarHBondContact O-N 3.22Å; P229-K231 PolarHBondContact O-N 3.13Å; K231-L289 HydrophobicContact CB-CD2 4.17Å |
| 232 | R | 98.3 | Very high | 97.6 | Very high | 85 Ų | 85 | 40 Ų | 40 | 32% | 0.321 | 21% | 0.214 | S | C | . | . | trans | -70.1 | 137.6 | 173.8 | -173.3 | 176.7 | -173 | -179.9 | 3.2 | 110.4 | L228 S230 P290 P291 | L228-R232 WeakPolarHBondContact CB-O 3.49Å; L228-R232 PolarHBondContact N-O 2.77Å; S230-R232 PolarHBondContact O-N 3.46Å; S230-R232 VanDerWaalsContact O-N 3.13Å; R232-P290 HydrophobicContact CG-CG 4.11Å; R232-P291 PolarHBondContact NE-O 2.83Å; R232-P291 PolarHBondContact NH2-O 2.76Å | ||
| 233 | Q | 98.4 | Very high | 97.9 | Very high | 71 Ų | 71 | 38.8 Ų | 38.8 | 33% | 0.332 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 145.4 | 175.4 | -63.8 | 177.2 | 2 | 0 | 0 | 111.4 | L217 I225 I226 M292 K293 | L217-Q233 HydrophobicContact CD1-CG 3.96Å; I225-Q233 HydrophobicContact CG2-CB 4.42Å; I226-Q233 CarbonylContact O-C 3.59Å; I226-Q233 WeakPolarHBondContact O-CA 3.23Å; Q233-M292 HydrophobicContact CB-CB 4.18Å; Q233-M292 HydrophobicContact CB-CG 3.91Å; Q233-M292 HydrophobicContact CB-SD 4.47Å; Q233-M292 WeakPolarHBondContact O-CA 3.45Å; Q233-K293 PolarHBondContact O-N 3.39Å; Q233-K293 VanDerWaalsContact O-N 3.08Å |
| 234 | M | 97.9 | Very high | 97.9 | Very high | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.015 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 135.3 | 178.9 | -173.6 | 175.1 | 95.5 | 0 | 0 | 109.9 | V196 Y206 I225 I226 L228 V236 K293 Y295 | V196-M234 HydrophobicContact CG1-CE 4.37Å; Y206-M234 HydrophobicContact CD2-CE 3.71Å; Y206-M234 HydrophobicContact CD2-SD 3.98Å; Y206-M234 HydrophobicContact CE2-CE 3.89Å; Y206-M234 HydrophobicContact CE2-SD 3.74Å; Y206-M234 HydrophobicContact CG-CE 4.5Å; I225-M234 WeakPolarHBondContact CA-O 3.36Å; I226-M234 HydrophobicContact CD1-CB 4.36Å; I226-M234 HydrophobicContact CD1-CE 3.33Å; I226-M234 HydrophobicContact CD1-SD 4.46Å; I226-M234 HydrophobicContact CG1-CB 3.83Å; I226-M234 HydrophobicContact CG1-CE 4.12Å; I226-M234 PolarHBondContact N-O 2.77Å; I226-M234 PolarHBondContact O-N 3.27Å; L228-M234 HydrophobicContact CD1-CB 4.44Å; L228-M234 HydrophobicContact CD1-SD 4.34Å; L228-M234 HydrophobicContact CD2-SD 4.42Å; L228-M234 HydrophobicContact CG-CB 4.44Å; M234-V236 HydrophobicContact CE-CG1 3.44Å; M234-V236 VanDerWaalsContact CE-CG1 3.44Å; M234-V236 HydrophobicContact CG-CG1 4.28Å; M234-K293 CarbonylContact C-O 3.57Å; M234-K293 VanDerWaalsContact CA-O 3.29Å; M234-K293 WeakPolarHBondContact CA-O 3.32Å; M234-Y295 HydrophobicContact CG-CD2 3.86Å; M234-Y295 HydrophobicContact CG-CE2 3.66Å; M234-Y295 HydrophobicContact SD-CD2 4.15Å; M234-Y295 HydrophobicContact SD-CE2 3.57Å; M234-Y295 VanDerWaalsContact SD-CE2 3.57Å |
| 235 | Q | 98 | Very high | 97.9 | Very high | 36 Ų | 36 | 39.4 Ų | 39.4 | 17% | 0.168 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 127.6 | 176.5 | -176.5 | -174.4 | 20.6 | 0 | 0 | 109.6 | T223 A224 I225 M292 K293 S294 Y295 V296 | T223-Q235 PolarHBondContact OG1-NE2 3.42Å; A224-Q235 WeakPolarHBondContact O-CA 3.21Å; I225-Q235 HydrophobicContact CG1-CB 4.36Å; I225-Q235 HydrophobicContact CG1-CG 4.28Å; Q235-M292 HydrophobicContact CB-CE 4.02Å; Q235-M292 HydrophobicContact CB-SD 3.99Å; Q235-K293 PolarHBondContact N-O 2.85Å; Q235-S294 PolarHBondContact OE1-OG 3.31Å; Q235-Y295 PolarHBondContact O-N 2.81Å; Q235-V296 HydrophobicContact CG-CG2 4.1Å |
| 236 | V | 97.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 165.9 | -179.4 | -69.2 | 0 | 0 | 0 | 0 | 110.1 | L184 T223 A224 I226 M234 Y295 | L184-V236 HydrophobicContact CD1-CG2 3.3Å; T223-V236 CarbonylContact C-O 3.6Å; T223-V236 VanDerWaalsContact CA-O 3.3Å; T223-V236 WeakPolarHBondContact CA-O 3.23Å; T223-V236 WeakPolarHBondContact CB-O 3.12Å; A224-V236 HydrophobicContact CB-CG2 4.36Å; A224-V236 PolarHBondContact N-O 3.25Å; A224-V236 PolarHBondContact O-N 3.23Å; I226-V236 HydrophobicContact CG2-CG2 4.47Å; M234-V236 HydrophobicContact CE-CG1 3.44Å; M234-V236 VanDerWaalsContact CE-CG1 3.44Å; M234-V236 HydrophobicContact CG-CG1 4.28Å; V236-Y295 HydrophobicContact CG1-CD2 4.19Å |
| 237 | L | 97.5 | Very high | 97.9 | Very high | 66 Ų | 66 | 42.5 Ų | 42.5 | 35% | 0.346 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 148.7 | 174.5 | -65.8 | 174.3 | 0 | 0 | 0 | 110.8 | P200 T223 T239 C240 V296 | P200-L237 HydrophobicContact CG-CB 4.24Å; P200-L237 HydrophobicContact CG-CD1 3.91Å; T223-L237 HydrophobicContact CG2-CD2 4.4Å; L237-T239 PolarHBondContact O-N 2.76Å; L237-C240 WeakPolarHBondContact O-CB 3.19Å; L237-C240 PolarHBondContact O-N 3.49Å; L237-V296 HydrophobicContact CD2-CG1 4.32Å; L237-V296 HydrophobicContact CD2-CG2 4.07Å; L237-V296 HydrophobicContact CG-CG2 4.49Å |
| 238 | E | 96.6 | Very high | 97.9 | Very high | 62 Ų | 62 | 39.8 Ų | 39.8 | 29% | 0.29 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -20.8 | 178.1 | 73.3 | -177.3 | 170.1 | 0 | 0 | 113.5 | I169 P183 L184 G185 G222 C240 | I169-E238 HydrophobicContact CD1-CG 4.07Å; P183-E238 WeakPolarHBondContact CB-O 3.42Å; L184-E238 PolarHBondContact N-O 2.98Å; L184-E238 VanDerWaalsContact N-O 3.12Å; G185-E238 PolarHBondContact N-O 2.82Å; G222-E238 VanDerWaalsContact CA-CD 3.49Å; G222-E238 WeakPolarHBondContact O-CB 3.46Å; G222-E238 VanDerWaalsContact O-CG 3.31Å; G222-E238 WeakPolarHBondContact O-CG 3.36Å; G222-E238 PolarHBondContact O-N 3.37Å; E238-C240 VanDerWaalsContact C-N 3.28Å; E238-C240 PolarHBondContact O-N 2.95Å |
| 239 | T | 97.3 | Very high | 97.9 | Very high | 69 Ų | 69 | 41.2 Ų | 41.2 | 42% | 0.423 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -12.2 | 177.4 | 52.2 | 0 | 0 | 0 | 0 | 113.3 | I169 P200 L237 V241 | I169-T239 HydrophobicContact CD1-CG2 3.96Å; P200-T239 WeakPolarHBondContact CG-OG1 3.36Å; L237-T239 PolarHBondContact O-N 2.76Å; T239-V241 PolarHBondContact O-N 3.08Å |
| 240 | C | 97.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -62.9 | 134 | 173.1 | -70.2 | 0 | 0 | 0 | 0 | 110.4 | P183 L184 E197 E199 P200 L237 E238 | P183-C240 WeakPolarHBondContact CA-O 3.44Å; L184-C240 HydrophobicContact CD1-CB 4.2Å; L184-C240 PolarHBondContact N-O 3.02Å; E197-C240 HydrophobicContact CB-CB 4.29Å; E199-C240 VanDerWaalsContact C-SG 3.57Å; P200-C240 VanDerWaalsContact CD-SG 3.6Å; L237-C240 WeakPolarHBondContact O-CB 3.19Å; L237-C240 PolarHBondContact O-N 3.49Å; E238-C240 VanDerWaalsContact C-N 3.28Å; E238-C240 PolarHBondContact O-N 2.95Å |
| 241 | V | 97.8 | Very high | 97.9 | Very high | 12 Ų | 12 | 40 Ų | 40 | 7% | 0.073 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 140.3 | 178.1 | 179.3 | 0 | 0 | 0 | 0 | 110 | F112 A181 E197 T239 | F112-V241 HydrophobicContact CB-CG1 4.42Å; F112-V241 HydrophobicContact CB-CG2 4.04Å; A181-V241 HydrophobicContact CB-CG1 4.09Å; E197-V241 WeakPolarHBondContact CG-O 3.15Å; T239-V241 PolarHBondContact O-N 3.08Å |
| 242 | A | 98 | Very high | 97.9 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.008 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 156 | 171 | 0 | 0 | 0 | 0 | 0 | 109.8 | A181 H182 L184 I193 V196 | A181-A242 WeakPolarHBondContact CA-O 3.31Å; H182-A242 PolarHBondContact N-O 3.18Å; H182-A242 PolarHBondContact O-N 3.38Å; H182-A242 VanDerWaalsContact O-O 3.09Å; L184-A242 HydrophobicContact CD2-CB 3.66Å; L184-A242 HydrophobicContact CG-CB 4.33Å; I193-A242 HydrophobicContact CB-CB 4.3Å; I193-A242 HydrophobicContact CD1-CB 4.46Å; I193-A242 HydrophobicContact CG2-CB 4.42Å; V196-A242 HydrophobicContact CG2-CB 4.2Å |
| 243 | T | 98.4 | Very high | 97.9 | Very high | 4 Ų | 4 | 38 Ų | 38 | 3% | 0.025 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 137.5 | 173.9 | -49.9 | 0 | 0 | 0 | 0 | 109.2 | T154 D180 I193 N194 | T154-T243 HydrophobicContact CG2-CG2 4.03Å; D180-T243 WeakPolarHBondContact O-CA 3.41Å; I193-T243 CarbonylContact C-O 3.52Å; I193-T243 WeakPolarHBondContact CA-O 3.4Å; N194-T243 PolarHBondContact N-O 3.49Å; N194-T243 PolarHBondContact O-N 3.26Å; N194-T243 WeakPolarHBondContact OD1-CB 3.25Å |
| 244 | V | 98.3 | Very high | 97.9 | Very high | 13 Ų | 13 | 41.8 Ų | 41.8 | 8% | 0.079 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 141.6 | -179.4 | 178.5 | 0 | 0 | 0 | 0 | 110.7 | A176 G179 D180 L187 | A176-V244 HydrophobicContact CB-CB 4.26Å; A176-V244 HydrophobicContact CB-CG1 4.27Å; A176-V244 HydrophobicContact CB-CG2 3.68Å; G179-V244 PolarHBondContact N-O 3.03Å; D180-V244 PolarHBondContact O-N 2.97Å; L187-V244 HydrophobicContact CD1-CG2 3.91Å; L187-V244 HydrophobicContact CD2-CG2 3.52Å; L187-V244 HydrophobicContact CG-CG2 4.39Å |
| 245 | G | 97.6 | Very high | 97.9 | Very high | 9 Ų | 9 | 46.9 Ų | 46.9 | 9% | 0.093 | 23% | 0.232 | C | C | . | . | S | Bend | trans | 103.5 | -169.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | L192 I193 N194 | L192-G245 PolarHBondContact O-N 3.05Å; I193-G245 CarbonylContact C-O 3.6Å; N194-G245 VanDerWaalsContact ND2-C 3.35Å; N194-G245 PolarHBondContact ND2-O 3.42Å |
| 246 | R | 98.1 | Very high | 97.9 | Very high | 71 Ų | 71 | 50.7 Ų | 50.7 | 27% | 0.268 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -101.6 | 157.2 | -178.6 | -57.5 | -179.3 | 56.7 | -145.8 | 6.7 | 109.4 | T154 E155 E178 L192 N194 C213 | T154-R246 CarbonylContact C-O 3.59Å; T154-R246 WeakPolarHBondContact CA-O 3.14Å; T154-R246 WeakPolarHBondContact CB-O 3.31Å; E155-R246 HydrophobicContact CB-CB 4.26Å; E155-R246 PolarHBondContact N-O 2.99Å; E155-R246 IonicContact OE1-NH1 2.86Å; E155-R246 PolarHBondContact OE1-NH1 3.01Å; E155-R246 WeakPolarHBondContact OE2-CB 3.29Å; E155-R246 VanDerWaalsContact OE2-CD 3.25Å; E155-R246 WeakPolarHBondContact OE2-CD 3.36Å; E155-R246 IonicContact OE2-CZ 3.38Å; E155-R246 IonicContact OE2-NE 2.87Å; E155-R246 IonicContact OE2-NH1 3.49Å; E155-R246 PolarHBondContact OE2-NH1 3.43Å; E178-R246 PolarHBondContact OE1-N 3.26Å; L192-R246 HydrophobicContact CD1-CG 4.17Å; N194-R246 PolarHBondContact ND2-O 3.08Å; C213-R246 HydrophobicContact CB-CB 4.32Å; C213-R246 HydrophobicContact CB-CG 3.78Å |
| 247 | V | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | B | Isolated β-bridge | trans | -75.7 | 141.6 | 175.2 | -178.2 | 0 | 0 | 0 | 0 | 109.8 | A137 I152 N194 A209 G211 T212 | A137-V247 HydrophobicContact CB-CG1 3.38Å; I152-V247 HydrophobicContact CG2-CG1 3.73Å; I152-V247 HydrophobicContact CG2-CG2 4.5Å; N194-V247 HydrophobicContact CB-CG2 3.7Å; A209-V247 VanDerWaalsContact O-CB 3.25Å; A209-V247 WeakPolarHBondContact O-CB 3.37Å; A209-V247 WeakPolarHBondContact O-CG1 3.48Å; G211-V247 VanDerWaalsContact CA-O 3.31Å; G211-V247 WeakPolarHBondContact CA-O 3.28Å; G211-V247 PolarHBondContact N-O 3.32Å; G211-V247 VanDerWaalsContact N-O 3.09Å; T212-V247 WeakPolarHBondContact O-CG2 3.44Å; T212-V247 PolarHBondContact O-N 3.38Å |
| 248 | S | 98.1 | Very high | 97.9 | Very high | 5 Ų | 5 | 53 Ų | 53 | 4% | 0.035 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -49.4 | 165.1 | 173.7 | 53.2 | 0 | 0 | 0 | 0 | 115 | D138 A153 T154 A210 G211 | D138-S248 PolarHBondContact N-OG 3.14Å; D138-S248 PolarHBondContact O-OG 3.33Å; A153-S248 VanDerWaalsContact O-CB 3.28Å; A153-S248 WeakPolarHBondContact O-CB 3.4Å; A153-S248 PolarHBondContact O-N 3.28Å; A153-S248 PolarHBondContact O-OG 3.42Å; T154-S248 WeakPolarHBondContact O-CB 3.34Å; A210-S248 VanDerWaalsContact CA-O 3.29Å; A210-S248 WeakPolarHBondContact CA-O 3.24Å; G211-S248 PolarHBondContact N-O 3.16Å |
| 249 | N | 97.8 | Very high | 97.9 | Very high | 54 Ų | 54 | 56 Ų | 56 | 29% | 0.289 | 30% | 0.298 | S | S | . | . | trans | 62.2 | 56.6 | 178.4 | -166.9 | 3.5 | 0 | 0 | 0 | 113 | S136 A210 D251 H252 | S136-N249 PolarHBondContact O-ND2 3.02Å; A210-N249 HydrophobicContact CB-CB 4.09Å; A210-N249 WeakPolarHBondContact CB-O 3.4Å; N249-D251 VanDerWaalsContact C-N 3.34Å; N249-D251 PolarHBondContact O-N 3.06Å; N249-H252 PolarHBondContact ND2-ND1 3.48Å; N249-H252 VanDerWaalsContact O-CB 3.31Å; N249-H252 WeakPolarHBondContact O-CB 3.36Å; N249-H252 PolarHBondContact O-N 2.92Å | ||
| 250 | V | 98.2 | Very high | 98 | Very high | 39 Ų | 39 | 56.5 Ų | 56.5 | 24% | 0.236 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -62 | -39.5 | -175 | 178.6 | 0 | 0 | 0 | 0 | 112.7 | E155 H252 | E155-V250 VanDerWaalsContact CD-CG2 3.44Å; E155-V250 HydrophobicContact CG-CG2 3.8Å; E155-V250 WeakPolarHBondContact OE1-CG2 3.47Å; V250-H252 PolarHBondContact O-N 2.92Å; V250-H252 VanDerWaalsContact O-N 3.14Å |
| 251 | D | 98.1 | Very high | 98 | Very high | 92 Ų | 92 | 57.8 Ų | 57.8 | 49% | 0.492 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -80 | 13.1 | -178.4 | -66.9 | -48.7 | 0 | 0 | 0 | 114 | N249 N253 K254 | N249-D251 VanDerWaalsContact C-N 3.34Å; N249-D251 PolarHBondContact O-N 3.06Å; D251-N253 PolarHBondContact O-N 3.38Å; D251-N253 VanDerWaalsContact O-N 3.1Å; D251-K254 HydrophobicContact CB-CD 4.47Å; D251-K254 PolarHBondContact O-N 3.25Å; D251-K254 WeakPolarHBondContact OD1-CD 3.22Å; D251-K254 WeakPolarHBondContact OD1-CE 3.03Å; D251-K254 IonicContact OD1-NZ 2.76Å; D251-K254 PolarHBondContact OD1-NZ 3.44Å |
| 252 | H | 97.9 | Very high | 98 | Very high | 61 Ų | 61 | 62 Ų | 62 | 28% | 0.282 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -54.8 | -32.2 | 176.5 | -169 | 92.2 | 0 | 0 | 0 | 112.8 | A210 N249 V250 R255 | A210-H252 HydrophobicContact CB-CB 3.85Å; N249-H252 PolarHBondContact ND2-ND1 3.48Å; N249-H252 VanDerWaalsContact O-CB 3.31Å; N249-H252 WeakPolarHBondContact O-CB 3.36Å; N249-H252 PolarHBondContact O-N 2.92Å; V250-H252 PolarHBondContact O-N 2.92Å; V250-H252 VanDerWaalsContact O-N 3.14Å; H252-R255 PolarHBondContact CE1-NH1 2.8Å; H252-R255 PolarHBondContact NE2-NH1 3.43Å; H252-R255 WeakPolarHBondContact O-CB 3.27Å |
| 253 | N | 97.6 | Very high | 98 | Very high | 131 Ų | 131 | 64.7 Ų | 64.7 | 70% | 0.701 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -72.7 | -28.4 | 179.2 | 64.3 | -9.4 | 0 | 0 | 0 | 113.6 | D251 R255 | D251-N253 PolarHBondContact O-N 3.38Å; D251-N253 VanDerWaalsContact O-N 3.1Å; N253-R255 VanDerWaalsContact C-N 3.28Å; N253-R255 PolarHBondContact O-N 3.4Å |
| 254 | K | 98.1 | Very high | 98 | Very high | 150 Ų | 150 | 70.7 Ų | 70.7 | 65% | 0.652 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -82.7 | -3.9 | 179.2 | -66.8 | 172.9 | -166.9 | 160.2 | 0 | 112.7 | D251 V256 | D251-K254 HydrophobicContact CB-CD 4.47Å; D251-K254 PolarHBondContact O-N 3.25Å; D251-K254 WeakPolarHBondContact OD1-CD 3.22Å; D251-K254 WeakPolarHBondContact OD1-CE 3.03Å; D251-K254 IonicContact OD1-NZ 2.76Å; D251-K254 PolarHBondContact OD1-NZ 3.44Å; K254-V256 PolarHBondContact O-N 3.06Å |
| 255 | R | 97.4 | Very high | 98 | Very high | 109 Ų | 109 | 77 Ų | 77 | 41% | 0.411 | 40% | 0.397 | S | S | . | . | trans | -64.9 | 118.7 | -177.9 | -170.1 | -173.6 | 83.2 | -128 | 5.9 | 112.3 | H252 N253 I257 | H252-R255 PolarHBondContact CE1-NH1 2.8Å; H252-R255 PolarHBondContact NE2-NH1 3.43Å; H252-R255 WeakPolarHBondContact O-CB 3.27Å; N253-R255 VanDerWaalsContact C-N 3.28Å; N253-R255 PolarHBondContact O-N 3.4Å; R255-I257 VanDerWaalsContact NH2-CD1 3.25Å | ||
| 256 | V | 98.1 | Very high | 98 | Very high | 116 Ų | 116 | 80 Ų | 80 | 70% | 0.703 | 41% | 0.41 | S | S | * | . | trans | -82.3 | 126.6 | 173.6 | -177.5 | 0 | 0 | 0 | 0 | 111.2 | K254 | K254-V256 PolarHBondContact O-N 3.06Š| ||
| 257 | I | 97.5 | Very high | 97.9 | Very high | 44 Ų | 44 | 77.1 Ų | 77.1 | 23% | 0.226 | 40% | 0.403 | C | S | . | . | trans | -73.6 | -27.8 | 179.5 | -57.3 | -61.6 | 0 | 0 | 0 | 112.4 | R255 K259 R262 L266 | R255-I257 VanDerWaalsContact NH2-CD1 3.25Å; I257-K259 VanDerWaalsContact C-N 3.27Å; I257-K259 PolarHBondContact O-N 3.23Å; I257-R262 VanDerWaalsContact C-NH1 3.31Å; I257-R262 HydrophobicContact CG2-CB 3.94Å; I257-R262 HydrophobicContact CG2-CG 4.27Å; I257-R262 VanDerWaalsContact O-CD 3.31Å; I257-R262 WeakPolarHBondContact O-CD 3.29Å; I257-R262 PolarHBondContact O-NH1 3.42Å; I257-L266 HydrophobicContact CD1-CD1 4.47Å | ||
| 258 | G | 98.2 | Very high | 97.9 | Very high | 71 Ų | 71 | 82.7 Ų | 82.7 | 73% | 0.732 | 43% | 0.427 | S | S | * | . | trans | 73.1 | -68.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 259 | K | 98.2 | Very high | 97.9 | Very high | 124 Ų | 124 | 87.8 Ų | 87.8 | 54% | 0.539 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -128.2 | 152.8 | -175.9 | 67.7 | -178 | 179.2 | -176.5 | 0 | 113.5 | I257 G261 R262 | I257-K259 VanDerWaalsContact C-N 3.27Å; I257-K259 PolarHBondContact O-N 3.23Å; K259-G261 PolarHBondContact O-N 3.28Å; K259-R262 HydrophobicContact CG-CB 4.5Å; K259-R262 PolarHBondContact O-N 3.19Å; K259-R262 VanDerWaalsContact O-N 3.08Å |
| 260 | A | 97.9 | Very high | 97.9 | Very high | 80 Ų | 80 | 89.9 Ų | 89.9 | 66% | 0.661 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -56.3 | -34.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | R262 N263 R264 | A260-R262 VanDerWaalsContact C-N 3.26Å; A260-R262 PolarHBondContact O-N 2.91Å; A260-N263 WeakPolarHBondContact O-CB 3.46Å; A260-N263 PolarHBondContact O-N 3.02Å; A260-N263 VanDerWaalsContact O-N 3.08Å; A260-R264 PolarHBondContact O-N 2.94Å |
| 261 | G | 98.3 | Very high | 97.9 | Very high | 28 Ų | 28 | 95.3 Ų | 95.3 | 29% | 0.289 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -57.2 | -34.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.8 | K259 N263 R264 W265 | K259-G261 PolarHBondContact O-N 3.28Å; G261-N263 VanDerWaalsContact C-N 3.32Å; G261-N263 PolarHBondContact O-N 2.99Å; G261-R264 WeakPolarHBondContact O-CA 3.48Å; G261-R264 WeakPolarHBondContact O-CB 3.31Å; G261-R264 PolarHBondContact O-N 3.3Å; G261-W265 PolarHBondContact O-N 3.09Å |
| 262 | R | 97.8 | Very high | 97.8 | Very high | 99 Ų | 99 | 95.5 Ų | 95.5 | 37% | 0.374 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.1 | -35.4 | 177.6 | -172.2 | 173.9 | -70.7 | 143.8 | -10.3 | 111.6 | I257 K259 A260 R264 W265 L266 | I257-R262 VanDerWaalsContact C-NH1 3.31Å; I257-R262 HydrophobicContact CG2-CB 3.94Å; I257-R262 HydrophobicContact CG2-CG 4.27Å; I257-R262 VanDerWaalsContact O-CD 3.31Å; I257-R262 WeakPolarHBondContact O-CD 3.29Å; I257-R262 PolarHBondContact O-NH1 3.42Å; K259-R262 HydrophobicContact CG-CB 4.5Å; K259-R262 PolarHBondContact O-N 3.19Å; K259-R262 VanDerWaalsContact O-N 3.08Å; A260-R262 VanDerWaalsContact C-N 3.26Å; A260-R262 PolarHBondContact O-N 2.91Å; R262-R264 VanDerWaalsContact C-N 3.32Å; R262-R264 PolarHBondContact O-N 3.37Å; R262-W265 HydrophobicContact CB-CE3 4.24Å; R262-W265 HydrophobicContact CG-CE3 4.26Å; R262-W265 PolarHBondContact O-N 3.25Å; R262-L266 WeakPolarHBondContact O-CG 3.44Å; R262-L266 PolarHBondContact O-N 3.3Å; R262-L266 VanDerWaalsContact O-N 3.14Å |
| 263 | N | 97.9 | Very high | 97.8 | Very high | 59 Ų | 59 | 96.6 Ų | 96.6 | 32% | 0.316 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.3 | -37.3 | 171.1 | -81.7 | -28.5 | 0 | 0 | 0 | 112.1 | A260 G261 L266 G267 K268 | A260-N263 WeakPolarHBondContact O-CB 3.46Å; A260-N263 PolarHBondContact O-N 3.02Å; A260-N263 VanDerWaalsContact O-N 3.08Å; G261-N263 VanDerWaalsContact C-N 3.32Å; G261-N263 PolarHBondContact O-N 2.99Å; N263-L266 PolarHBondContact O-N 3.24Å; N263-G267 PolarHBondContact O-N 3.35Å; N263-K268 HydrophobicContact CB-CB 4.48Å; N263-K268 WeakPolarHBondContact O-CB 3.21Å; N263-K268 PolarHBondContact O-N 2.72Å |
| 264 | R | 97.9 | Very high | 97.8 | Very high | 129 Ų | 129 | 99.2 Ų | 99.2 | 49% | 0.487 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.3 | -39.5 | 175.6 | -55.7 | -53.5 | -55.7 | -75.7 | -6.2 | 111.7 | G99 A260 G261 R262 L266 G267 K268 | G99-R264 VanDerWaalsContact CA-O 3.27Å; G99-R264 WeakPolarHBondContact CA-O 3.24Å; G99-R264 PolarHBondContact N-O 3.46Å; A260-R264 PolarHBondContact O-N 2.94Å; G261-R264 WeakPolarHBondContact O-CA 3.48Å; G261-R264 WeakPolarHBondContact O-CB 3.31Å; G261-R264 PolarHBondContact O-N 3.3Å; R262-R264 VanDerWaalsContact C-N 3.32Å; R262-R264 PolarHBondContact O-N 3.37Å; R264-L266 VanDerWaalsContact C-N 3.3Å; R264-L266 PolarHBondContact O-N 3.47Å; R264-G267 PolarHBondContact O-N 3.11Å; R264-K268 VanDerWaalsContact CD-O 3.31Å; R264-K268 WeakPolarHBondContact CD-O 3.33Å; R264-K268 PolarHBondContact NE-O 3.03Å |
| 265 | W | 98.2 | Very high | 97.8 | Very high | 147 Ų | 147 | 101 Ų | 101 | 56% | 0.557 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.9 | -35.2 | 174.6 | -58.5 | -22.2 | 0 | 0 | 0 | 112.8 | G99 H100 G261 R262 G267 | G99-W265 CarbonylContact C-O 3.58Å; G99-W265 VanDerWaalsContact CA-O 3.22Å; G99-W265 WeakPolarHBondContact CA-O 3.31Å; H100-W265 PolarHBondContact N-O 2.9Å; G261-W265 PolarHBondContact O-N 3.09Å; R262-W265 HydrophobicContact CB-CE3 4.24Å; R262-W265 HydrophobicContact CG-CE3 4.26Å; R262-W265 PolarHBondContact O-N 3.25Å; W265-G267 PolarHBondContact O-N 3.33Å |
| 266 | L | 97.4 | Very high | 97.8 | Very high | 70 Ų | 70 | 101.9 Ų | 101.9 | 37% | 0.366 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -3 | 173.5 | -64.4 | 173.8 | 0 | 0 | 0 | 113.6 | I257 R262 N263 R264 | I257-L266 HydrophobicContact CD1-CD1 4.47Å; R262-L266 WeakPolarHBondContact O-CG 3.44Å; R262-L266 PolarHBondContact O-N 3.3Å; R262-L266 VanDerWaalsContact O-N 3.14Å; N263-L266 PolarHBondContact O-N 3.24Å; R264-L266 VanDerWaalsContact C-N 3.3Å; R264-L266 PolarHBondContact O-N 3.47Å |
| 267 | G | 97.3 | Very high | 97.8 | Very high | 11 Ų | 11 | 105.7 Ų | 105.7 | 11% | 0.113 | 54% | 0.54 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | 21.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | G97 N263 R264 W265 | G97-G267 PolarHBondContact N-O 3.07Å; G97-G267 CarbonylContact O-C 3.43Å; N263-G267 PolarHBondContact O-N 3.35Å; R264-G267 PolarHBondContact O-N 3.11Å; W265-G267 PolarHBondContact O-N 3.33Å |
| 268 | K | 98 | Very high | 97.9 | Very high | 118 Ų | 118 | 111.9 Ų | 111.9 | 51% | 0.513 | 57% | 0.565 | S | S | . | * | B | Isolated β-bridge | trans | -97 | 125.8 | 175.4 | -57.9 | -179.1 | -179.5 | -178.2 | 0 | 109.8 | G95 N263 R264 | G95-K268 CarbonylContact O-C 3.5Å; G95-K268 WeakPolarHBondContact O-CA 3.36Å; N263-K268 HydrophobicContact CB-CB 4.48Å; N263-K268 WeakPolarHBondContact O-CB 3.21Å; N263-K268 PolarHBondContact O-N 2.72Å; R264-K268 VanDerWaalsContact CD-O 3.31Å; R264-K268 WeakPolarHBondContact CD-O 3.33Å; R264-K268 PolarHBondContact NE-O 3.03Å |
| 269 | R | 97.4 | Very high | 97.9 | Very high | 111 Ų | 111 | 110.1 Ų | 110.1 | 42% | 0.419 | 55% | 0.547 | S | S | . | . | P | Polyproline II helix | trans | -88.7 | 155.9 | 173.1 | -68.1 | 171.8 | 65.2 | -172.3 | 1.4 | 109.8 | G95 I96 | G95-R269 PolarHBondContact O-N 2.86Å; I96-R269 VanDerWaalsContact O-CD 3.31Å; I96-R269 WeakPolarHBondContact O-CD 3.2Å |
| 270 | P | 98.2 | Very high | 97.9 | Very high | 99 Ų | 99 | 107.5 Ų | 107.5 | 64% | 0.643 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 157.6 | 173.6 | 28.5 | -35.9 | 0 | 0 | 0 | 111.4 | ||
| 271 | N | 97.9 | Very high | 97.8 | Very high | 152 Ų | 152 | 113.6 Ų | 113.6 | 81% | 0.813 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 163.7 | 171.7 | -66.3 | -25.5 | 0 | 0 | 0 | 110.7 | ||
| 272 | S | 97 | Very high | 97.8 | Very high | 96 Ų | 96 | 113.6 Ų | 113.6 | 67% | 0.671 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 142.1 | 173.2 | -176.9 | 0 | 0 | 0 | 0 | 110.7 | R274 | S272-R274 PolarHBondContact O-N 3.32Å; S272-R274 PolarHBondContact OG-N 3.32Å |
| 273 | G | 97.6 | Very high | 97.8 | Very high | 84 Ų | 84 | 111.9 Ų | 111.9 | 87% | 0.866 | 57% | 0.571 | S | S | * | * | trans | -76.9 | -6.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | W275 | G273-W275 PolarHBondContact O-N 3.32Š| ||
| 274 | R | 98.1 | Very high | 97.8 | Very high | 187 Ų | 187 | 120 Ų | 120 | 71% | 0.706 | 60% | 0.598 | S | S | * | * | trans | -65.2 | 121.3 | 178.6 | -173.4 | 178 | -171.5 | 176.9 | 4.4 | 110 | S272 H276 | S272-R274 PolarHBondContact O-N 3.32Å; S272-R274 PolarHBondContact OG-N 3.32Å; R274-H276 PolarHBondContact O-CE1 2.6Å; R274-H276 VanDerWaalsContact O-CE1 3.3Å; R274-H276 PolarHBondContact O-ND1 3.09Å | ||
| 275 | W | 98.2 | Very high | 97.8 | Very high | 187 Ų | 187 | 119.5 Ų | 119.5 | 71% | 0.708 | 60% | 0.599 | S | S | * | * | trans | -70.5 | 136 | 172.1 | -177.9 | 91.1 | 0 | 0 | 0 | 110.6 | G273 R277 | G273-W275 PolarHBondContact O-N 3.32Å; W275-R277 HydrophobicContact CH2-CB 3.51Å; W275-R277 HydrophobicContact CH2-CG 3.88Å; W275-R277 HydrophobicContact CZ2-CB 4.26Å; W275-R277 HydrophobicContact CZ3-CB 3.81Å | ||
| 276 | H | 97.7 | Very high | 97.8 | Very high | 128 Ų | 128 | 120.1 Ų | 120.1 | 59% | 0.593 | 61% | 0.612 | S | S | * | * | trans | -126.9 | 129.4 | 175.4 | -60.6 | 84.7 | 0 | 0 | 0 | 108.7 | R274 K278 | R274-H276 PolarHBondContact O-CE1 2.6Å; R274-H276 VanDerWaalsContact O-CE1 3.3Å; R274-H276 PolarHBondContact O-ND1 3.09Å; H276-K278 PolarHBondContact O-N 2.77Å | ||
| 277 | R | 98.1 | Very high | 97.8 | Very high | 196 Ų | 196 | 126.6 Ų | 126.6 | 74% | 0.74 | 63% | 0.631 | S | S | * | * | trans | -65.3 | 132 | 173.4 | -167 | 177.6 | -68.1 | 112.7 | -0.8 | 109.3 | W275 | W275-R277 HydrophobicContact CH2-CB 3.51Å; W275-R277 HydrophobicContact CH2-CG 3.88Å; W275-R277 HydrophobicContact CZ2-CB 4.26Å; W275-R277 HydrophobicContact CZ3-CB 3.81Å | ||
| 278 | K | 98.4 | Very high | 97.8 | Very high | 173 Ų | 173 | 131.7 Ų | 131.7 | 75% | 0.752 | 66% | 0.662 | S | S | * | * | trans | -62.9 | 136.2 | 173.2 | -66.4 | 176.6 | -177.1 | 172.3 | 0 | 109.3 | H276 A282 | H276-K278 PolarHBondContact O-N 2.77Å; K278-A282 HydrophobicContact CB-CB 3.99Å; K278-A282 HydrophobicContact CD-CB 4.44Å; K278-A282 HydrophobicContact CG-CB 4.41Å | ||
| 279 | G | 97.9 | Very high | 97.8 | Very high | 35 Ų | 35 | 132.2 Ų | 132.2 | 36% | 0.361 | 67% | 0.67 | S | S | . | * | trans | -102.7 | -173.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | W281 A282 | G279-W281 PolarHBondContact O-N 3.39Å; G279-W281 VanDerWaalsContact O-N 3.11Å; G279-A282 WeakPolarHBondContact O-CB 3.38Å; G279-A282 PolarHBondContact O-N 3.44Å | ||
| 280 | G | 98.1 | Very high | 97.8 | Very high | 69 Ų | 69 | 130.2 Ų | 130.2 | 71% | 0.711 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -13.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | A282 K285 | G280-A282 VanDerWaalsContact C-N 3.28Å; G280-K285 PolarHBondContact O-NZ 3Å |
| 281 | W | 97.4 | Very high | 97.8 | Very high | 208 Ų | 208 | 130.5 Ų | 130.5 | 79% | 0.788 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -25.1 | 171.3 | 63.3 | -96.9 | 0 | 0 | 0 | 112.6 | G279 | G279-W281 PolarHBondContact O-N 3.39Å; G279-W281 VanDerWaalsContact O-N 3.11Å |
| 282 | A | 97.7 | Very high | 97.8 | Very high | 27 Ų | 27 | 126.7 Ų | 126.7 | 22% | 0.223 | 65% | 0.651 | C | S | . | * | trans | -73 | 165.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | K278 G279 G280 | K278-A282 HydrophobicContact CB-CB 3.99Å; K278-A282 HydrophobicContact CD-CB 4.44Å; K278-A282 HydrophobicContact CG-CB 4.41Å; G279-A282 WeakPolarHBondContact O-CB 3.38Å; G279-A282 PolarHBondContact O-N 3.44Å; G280-A282 VanDerWaalsContact C-N 3.28Å | ||
| 283 | G | 97.3 | Very high | 97.8 | Very high | 63 Ų | 63 | 126.9 Ų | 126.9 | 65% | 0.649 | 64% | 0.64 | S | S | * | * | S | Bend | trans | 94.2 | 162 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | K285 | G283-K285 PolarHBondContact O-N 3.44Š|
| 284 | R | 98.1 | Very high | 97.8 | Very high | 231 Ų | 231 | 125.2 Ų | 125.2 | 87% | 0.872 | 62% | 0.615 | S | S | * | * | trans | -66.6 | 127.1 | -179.6 | -176.6 | -177.6 | -68.6 | -111.5 | 2.4 | 109.3 | I286 | R284-I286 HydrophobicContact CG-CG1 4.43Š| ||
| 285 | K | 97.7 | Very high | 97.7 | Very high | 117 Ų | 117 | 119.4 Ų | 119.4 | 51% | 0.509 | 59% | 0.593 | S | S | . | * | trans | -115.1 | 109.7 | 174.2 | -54.6 | -61 | -178.7 | -179 | 0 | 108.6 | G280 G283 R287 | G280-K285 PolarHBondContact O-NZ 3Å; G283-K285 PolarHBondContact O-N 3.44Å; K285-R287 HydrophobicContact CB-CG 4.48Å; K285-R287 PolarHBondContact O-N 2.91Å | ||
| 286 | I | 97.9 | Very high | 97.4 | Very high | 161 Ų | 161 | 112.1 Ų | 112.1 | 83% | 0.826 | 57% | 0.57 | S | S | * | * | trans | -84.1 | 108.4 | 173.4 | -57.3 | 173.9 | 0 | 0 | 0 | 106.3 | R284 | R284-I286 HydrophobicContact CG-CG1 4.43Š| ||
| 287 | R | 97.8 | Very high | 97.1 | Very high | 205 Ų | 205 | 114.5 Ų | 114.5 | 77% | 0.774 | 58% | 0.578 | S | S | * | * | trans | -112.2 | 144.4 | 178.5 | -65 | -178.4 | 178.8 | 177.6 | -1.3 | 108.8 | K285 | K285-R287 HydrophobicContact CB-CG 4.48Å; K285-R287 PolarHBondContact O-N 2.91Å | ||
| 288 | P | 98.1 | Very high | 96.1 | Very high | 118 Ų | 118 | 112.5 Ų | 112.5 | 77% | 0.766 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 158.8 | 169.5 | 29.1 | -34.9 | 0 | 0 | 0 | 110 | ||
| 289 | L | 97.6 | Very high | 95.1 | Very high | 130 Ų | 130 | 108.5 Ų | 108.5 | 68% | 0.681 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 132.4 | 173.1 | -77.4 | 124.9 | 0 | 0 | 0 | 109.2 | K231 | K231-L289 HydrophobicContact CB-CD2 4.17Š|
| 290 | P | 97.7 | Very high | 93.6 | Very high | 68 Ų | 68 | 110.6 Ų | 110.6 | 44% | 0.442 | 58% | 0.582 | S | S | . | * | P | Polyproline II helix | trans | -63.6 | 153.2 | 176.7 | 28.3 | -34.9 | 0 | 0 | 0 | 109.9 | R232 | R232-P290 HydrophobicContact CG-CG 4.11Š|
| 291 | P | 97.8 | Very high | 91.9 | Very high | 106 Ų | 106 | 111.8 Ų | 111.8 | 69% | 0.688 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 155.2 | 179.3 | 26.4 | -35 | 0 | 0 | 0 | 111.4 | R232 K293 | R232-P291 PolarHBondContact NE-O 2.83Å; R232-P291 PolarHBondContact NH2-O 2.76Å; P291-K293 PolarHBondContact O-N 2.85Å |
| 292 | M | 97.6 | Very high | 90 | Very high | 72 Ų | 72 | 105.6 Ų | 105.6 | 36% | 0.355 | 58% | 0.578 | S | S | . | * | P | Polyproline II helix | trans | -54.1 | 134.4 | 175.6 | -178.1 | 178.4 | 70.8 | 0 | 0 | 109.9 | I225 Q233 Q235 | I225-M292 HydrophobicContact CD1-SD 4.01Å; I225-M292 HydrophobicContact CG1-SD 4.16Å; I225-M292 HydrophobicContact CG2-SD 4.03Å; Q233-M292 HydrophobicContact CB-CB 4.18Å; Q233-M292 HydrophobicContact CB-CG 3.91Å; Q233-M292 HydrophobicContact CB-SD 4.47Å; Q233-M292 WeakPolarHBondContact O-CA 3.45Å; Q235-M292 HydrophobicContact CB-CE 4.02Å; Q235-M292 HydrophobicContact CB-SD 3.99Å |
| 293 | K | 97.4 | Very high | 87.9 | Confident | 100 Ų | 100 | 107.9 Ų | 107.9 | 44% | 0.435 | 60% | 0.598 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.9 | 117.8 | 174.4 | -174.5 | 61.8 | 178.5 | 170.4 | 0 | 109.2 | Q233 M234 Q235 P291 Y295 | Q233-K293 PolarHBondContact O-N 3.39Å; Q233-K293 VanDerWaalsContact O-N 3.08Å; M234-K293 CarbonylContact C-O 3.57Å; M234-K293 VanDerWaalsContact CA-O 3.29Å; M234-K293 WeakPolarHBondContact CA-O 3.32Å; Q235-K293 PolarHBondContact N-O 2.85Å; P291-K293 PolarHBondContact O-N 2.85Å; K293-Y295 HydrophobicContact CG-CD2 4.49Å; K293-Y295 HydrophobicContact CG-CE2 3.76Å |
| 294 | S | 96.7 | Very high | 85.8 | Confident | 48 Ų | 48 | 112.4 Ų | 112.4 | 34% | 0.336 | 60% | 0.602 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.2 | 136.4 | 173.3 | -168.9 | 0 | 0 | 0 | 0 | 111.7 | Q235 V296 | Q235-S294 PolarHBondContact OE1-OG 3.31Å; S294-V296 PolarHBondContact OG-N 2.96Å |
| 295 | Y | 95.7 | Very high | 83.2 | Confident | 65 Ų | 65 | 109.4 Ų | 109.4 | 26% | 0.255 | 62% | 0.616 | S | S | . | * | trans | -104 | -2.9 | 170.3 | -71.8 | -86.4 | 0 | 0 | 0 | 112.4 | Y206 M234 Q235 V236 K293 | Y206-Y295 PolarHBondContact OH-OH 3.38Å; M234-Y295 HydrophobicContact CG-CD2 3.86Å; M234-Y295 HydrophobicContact CG-CE2 3.66Å; M234-Y295 HydrophobicContact SD-CD2 4.15Å; M234-Y295 HydrophobicContact SD-CE2 3.57Å; M234-Y295 VanDerWaalsContact SD-CE2 3.57Å; Q235-Y295 PolarHBondContact O-N 2.81Å; V236-Y295 HydrophobicContact CG1-CD2 4.19Å; K293-Y295 HydrophobicContact CG-CD2 4.49Å; K293-Y295 HydrophobicContact CG-CE2 3.76Å | ||
| 296 | V | 93.8 | Very high | 82.4 | Confident | 35 Ų | 35 | 109.1 Ų | 109.1 | 21% | 0.212 | 62% | 0.622 | C | S | . | * | P | Polyproline II helix | trans | -83.7 | 125.2 | -179 | -177 | 0 | 0 | 0 | 0 | 108.3 | T223 Q235 L237 S294 | T223-V296 HydrophobicContact CG2-CB 4.42Å; T223-V296 HydrophobicContact CG2-CG1 4.09Å; T223-V296 HydrophobicContact CG2-CG2 3.65Å; Q235-V296 HydrophobicContact CG-CG2 4.1Å; L237-V296 HydrophobicContact CD2-CG1 4.32Å; L237-V296 HydrophobicContact CD2-CG2 4.07Å; L237-V296 HydrophobicContact CG-CG2 4.49Å; S294-V296 PolarHBondContact OG-N 2.96Å |
| 297 | K | 90.7 | Very high | 81.6 | Confident | 178 Ų | 178 | 106.3 Ų | 106.3 | 77% | 0.774 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 118.2 | 171.9 | -60.8 | 177.1 | -173.3 | 173.1 | 0 | 107.2 | ||
| 298 | L | 77 | Confident | 80.7 | Confident | 153 Ų | 153 | 100.8 Ų | 100.8 | 80% | 0.801 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 140.2 | 172.2 | -63.9 | 173.4 | 0 | 0 | 0 | 108.6 | S300 | L298-S300 PolarHBondContact O-N 2.84Š|
| 299 | P | 76.5 | Confident | 79.7 | Confident | 89 Ų | 89 | 99.8 Ų | 99.8 | 58% | 0.578 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 134.6 | 167.9 | 25.5 | -31.7 | 0 | 0 | 0 | 108.1 | ||
| 300 | S | 66.2 | Low | 78.6 | Confident | 79 Ų | 79 | 97.9 Ų | 97.9 | 55% | 0.552 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 142.8 | 173.7 | 63.9 | 0 | 0 | 0 | 0 | 108.4 | L298 A302 A303 | L298-S300 PolarHBondContact O-N 2.84Å; S300-A302 PolarHBondContact O-N 2.92Å; S300-A303 PolarHBondContact O-N 3.5Å |
| 301 | A | 63.4 | Low | 77.3 | Confident | 94 Ų | 94 | 99.9 Ų | 99.9 | 78% | 0.777 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -55.6 | -19.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | A303 | A301-A303 VanDerWaalsContact C-N 3.34Å; A301-A303 PolarHBondContact O-N 3.07Å |
| 302 | A | 56.4 | Low | 75.8 | Confident | 78 Ų | 78 | 99.5 Ų | 99.5 | 65% | 0.645 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -76.5 | -10.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | S300 | S300-A302 PolarHBondContact O-N 2.92Š|
| 303 | A | 54.3 | Low | 74.2 | Confident | 76 Ų | 76 | 101.6 Ų | 101.6 | 63% | 0.628 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -93 | 4.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S300 A301 | S300-A303 PolarHBondContact O-N 3.5Å; A301-A303 VanDerWaalsContact C-N 3.34Å; A301-A303 PolarHBondContact O-N 3.07Å |
| 304 | Q | 52.6 | Low | 72.2 | Confident | 158 Ų | 158 | 101.8 Ų | 101.8 | 74% | 0.738 | 62% | 0.623 | S | S | * | * | trans | -115.1 | 9 | -177.9 | -66.9 | -171.7 | -23.5 | 0 | 0 | 113.5 | ||||
| 305 | S | 43.4 | Very low | 70 | Confident | 168 Ų | 168 | 106.6 Ų | 106.6 | 100% | 1.175 | 65% | 0.649 | S | S | * | * | trans | -100 | 0 | 171.2 | 61.5 | 0 | 0 | 0 | 0 | 111.3 |
Retrieved 305 of 305 residues in 87.7 ms
(Link to these results)