| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 43.7 | Very low | 40.1 | Very low | 254 Ų | 254 | 160.7 Ų | 160.7 | 100% | 1.251 | 86% | 0.855 | S | S | * | * | 0 | 108.3 | 0 | -57.4 | 177 | -174.9 | 0 | 0 | 105.8 | |||||
| 2 | G | 40.8 | Very low | 39.8 | Very low | 70 Ų | 70 | 168.1 Ų | 168.1 | 72% | 0.722 | 86% | 0.862 | S | S | * | * | cis | 135 | 87.1 | 18.7 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 3 | N | 41.4 | Very low | 39.7 | Very low | 163 Ų | 163 | 165.8 Ų | 165.8 | 87% | 0.872 | 86% | 0.861 | S | S | * | * | trans | 169.8 | 125 | 132.5 | -100.2 | -5 | 0 | 0 | 0 | 112.4 | ||||
| 4 | A | 37 | Very low | 39.1 | Very low | 97 Ų | 97 | 167.5 Ų | 167.5 | 80% | 0.802 | 86% | 0.863 | S | S | * | * | trans | -113.9 | 135.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 5 | Q | 47.1 | Very low | 38.8 | Very low | 174 Ų | 174 | 164.7 Ų | 164.7 | 81% | 0.813 | 86% | 0.864 | S | S | * | * | trans | -150.1 | 101.4 | 160.6 | -70.6 | -165.6 | -7.5 | 0 | 0 | 106.4 | ||||
| 6 | S | 42.4 | Very low | 38.7 | Very low | 111 Ų | 111 | 159.4 Ų | 159.4 | 78% | 0.776 | 86% | 0.861 | S | S | * | * | 93.3 | 109.9 | 79 | 73.7 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 7 | L | 36.8 | Very low | 38.4 | Very low | 185 Ų | 185 | 157.4 Ų | 157.4 | 97% | 0.969 | 86% | 0.862 | S | S | * | * | trans | -64.9 | 134.5 | 171.3 | -68.8 | 156.8 | 0 | 0 | 0 | 110.9 | ||||
| 8 | S | 43.3 | Very low | 38.3 | Very low | 119 Ų | 119 | 152.8 Ų | 152.8 | 83% | 0.832 | 86% | 0.857 | S | S | * | * | trans | -116.3 | 103.4 | 162.4 | 64.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 9 | R | 34.2 | Very low | 38 | Very low | 203 Ų | 203 | 153.8 Ų | 153.8 | 77% | 0.766 | 86% | 0.859 | S | S | * | * | trans | -71.6 | 131.2 | 164.9 | -178.8 | 179.2 | 179.5 | 178.4 | -0.7 | 108.4 | E11 | R9-E11 IonicContact CZ-OE1 3.81Å; R9-E11 IonicContact NE-OE1 3.76Å; R9-E11 IonicContact NH2-OE1 2.77Å; R9-E11 PolarHBondContact NH2-OE1 2.88Å | ||
| 10 | R | 40.5 | Very low | 38 | Very low | 249 Ų | 249 | 158.6 Ų | 158.6 | 94% | 0.94 | 86% | 0.863 | S | S | * | * | trans | -124.2 | 102.9 | 166.9 | -120.3 | 179.1 | 178.5 | 166.3 | 0.2 | 108.5 | ||||
| 11 | E | 34.3 | Very low | 37.9 | Very low | 143 Ų | 143 | 161 Ų | 161 | 67% | 0.668 | 87% | 0.866 | S | S | * | * | trans | -77.9 | 140.6 | 161.1 | -76.7 | 173.8 | 157 | 0 | 0 | 108.7 | R9 | R9-E11 IonicContact CZ-OE1 3.81Å; R9-E11 IonicContact NE-OE1 3.76Å; R9-E11 IonicContact NH2-OE1 2.77Å; R9-E11 PolarHBondContact NH2-OE1 2.88Å | ||
| 12 | R | 36.8 | Very low | 37.3 | Very low | 249 Ų | 249 | 154.9 Ų | 154.9 | 94% | 0.94 | 85% | 0.848 | S | S | * | * | trans | -132 | 120.4 | 164 | -147.6 | 178.2 | -170.2 | 176.8 | 1.8 | 108.2 | ||||
| 13 | T | 38.5 | Very low | 37 | Very low | 138 Ų | 138 | 154.6 Ų | 154.6 | 85% | 0.847 | 85% | 0.845 | S | S | * | * | trans | -73.3 | 155.9 | -176.9 | 34.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 14 | E | 30.5 | Very low | 36.6 | Very low | 190 Ų | 190 | 150.7 Ų | 150.7 | 89% | 0.888 | 84% | 0.843 | S | S | * | * | trans | -67.9 | 153 | -175.7 | -59.7 | 174.2 | 127.9 | 0 | 0 | 114.7 | ||||
| 15 | S | 35.3 | Very low | 36.5 | Very low | 126 Ų | 126 | 155.8 Ų | 155.8 | 88% | 0.881 | 85% | 0.847 | S | S | * | * | trans | 177.8 | 134.2 | 130.2 | 39.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 16 | G | 36.5 | Very low | 36.1 | Very low | 79 Ų | 79 | 151.9 Ų | 151.9 | 81% | 0.814 | 84% | 0.84 | S | S | * | * | trans | 155.9 | 80.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 17 | S | 34.3 | Very low | 36.2 | Very low | 126 Ų | 126 | 154.6 Ų | 154.6 | 88% | 0.881 | 85% | 0.845 | S | S | * | * | trans | -42.6 | 138.7 | 169.2 | 53 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 18 | G | 36.7 | Very low | 36.6 | Very low | 74 Ų | 74 | 154.2 Ų | 154.2 | 76% | 0.763 | 84% | 0.838 | S | S | * | * | trans | -168.7 | 87.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | R20 | G18-R20 PolarHBondContact O-N 3.19Š| ||
| 19 | L | 32.5 | Very low | 36.6 | Very low | 172 Ų | 172 | 155.2 Ų | 155.2 | 90% | 0.901 | 83% | 0.834 | S | S | * | * | trans | -46.3 | 117.9 | 165.5 | -96.4 | 69.6 | 0 | 0 | 0 | 110.8 | ||||
| 20 | R | 36.9 | Very low | 36.9 | Very low | 250 Ų | 250 | 154.4 Ų | 154.4 | 94% | 0.943 | 84% | 0.84 | S | S | * | * | trans | -144.8 | 123.3 | 144.8 | -72.5 | -159.4 | 173.9 | -159.2 | -2.8 | 112 | G18 | G18-R20 PolarHBondContact O-N 3.19Š| ||
| 21 | K | 37.1 | Very low | 36.7 | Very low | 209 Ų | 209 | 148 Ų | 148 | 91% | 0.909 | 83% | 0.832 | S | S | * | * | trans | -28.4 | 134.4 | 173.9 | -73.9 | 170.7 | 170.2 | 179.9 | 0 | 116.2 | G23 | K21-G23 PolarHBondContact O-N 3.37Š| ||
| 22 | S | 31.3 | Very low | 37.4 | Very low | 125 Ų | 125 | 146.4 Ų | 146.4 | 87% | 0.874 | 83% | 0.833 | S | S | * | * | trans | -41.4 | 112.8 | 156.9 | 51.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 23 | G | 33.4 | Very low | 37.5 | Very low | 64 Ų | 64 | 140.9 Ų | 140.9 | 66% | 0.66 | 83% | 0.827 | S | S | * | * | trans | -106.9 | 111.7 | 156.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | K21 F25 | K21-G23 PolarHBondContact O-N 3.37Å; G23-F25 PolarHBondContact O-N 3.3Å | ||
| 24 | G | 33.5 | Very low | 37.5 | Very low | 81 Ų | 81 | 142.7 Ų | 142.7 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | trans | -64.7 | 125.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | S26 | G24-S26 PolarHBondContact O-N 2.99Š| ||
| 25 | F | 34.4 | Very low | 37.9 | Very low | 204 Ų | 204 | 140.1 Ų | 140.1 | 90% | 0.895 | 82% | 0.818 | S | S | * | * | trans | -78.1 | 112.6 | 164.6 | -90.4 | -100.8 | 0 | 0 | 0 | 107.3 | G23 | G23-F25 PolarHBondContact O-N 3.3Š| ||
| 26 | S | 38.8 | Very low | 38.1 | Very low | 93 Ų | 93 | 143.1 Ų | 143.1 | 65% | 0.65 | 82% | 0.815 | S | S | * | * | trans | -79.9 | 116.2 | 166.1 | 46.8 | 0 | 0 | 0 | 0 | 108.6 | G24 E28 | G24-S26 PolarHBondContact O-N 2.99Å; S26-E28 PolarHBondContact O-N 3.35Å | ||
| 27 | D | 45.1 | Very low | 38.5 | Very low | 168 Ų | 168 | 143.3 Ų | 143.3 | 90% | 0.898 | 80% | 0.796 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | 21.5 | -178 | -105 | -25.5 | 0 | 0 | 0 | 114.2 | ||
| 28 | E | 45.3 | Very low | 38.9 | Very low | 176 Ų | 176 | 141.6 Ų | 141.6 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.5 | -6.8 | -169.7 | -67.8 | -143.2 | 120.5 | 0 | 0 | 116.6 | S26 | S26-E28 PolarHBondContact O-N 3.35Š|
| 29 | D | 42.9 | Very low | 39 | Very low | 140 Ų | 140 | 147.2 Ų | 147.2 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -107.7 | 20.4 | -169 | -83.8 | -25.8 | 0 | 0 | 0 | 116.6 | ||
| 30 | Q | 40.3 | Very low | 39.6 | Very low | 187 Ų | 187 | 143.3 Ų | 143.3 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | trans | -129.3 | 56 | 176.4 | -127.9 | 90.7 | 50.2 | 0 | 0 | 113.2 | ||||
| 31 | C | 36.4 | Very low | 39.8 | Very low | 114 Ų | 114 | 137.9 Ų | 137.9 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | trans | -109.5 | 118.1 | 160.1 | -93.5 | 0 | 0 | 0 | 0 | 109.7 | V33 | C31-V33 PolarHBondContact O-N 2.85Š| ||
| 32 | P | 48.9 | Very low | 39.9 | Very low | 109 Ų | 109 | 131.9 Ų | 131.9 | 71% | 0.708 | 76% | 0.759 | S | S | * | * | trans | -60.1 | 126.1 | 166.2 | 25 | -30.2 | 0 | 0 | 0 | 107.8 | Q34 | P32-Q34 VanDerWaalsContact C-N 3.34Å; P32-Q34 PolarHBondContact O-N 2.89Å | ||
| 33 | V | 38.3 | Very low | 40.2 | Very low | 133 Ų | 133 | 133.3 Ų | 133.3 | 81% | 0.806 | 76% | 0.757 | S | S | * | * | trans | -59.6 | 96.5 | 177.7 | -176.5 | 0 | 0 | 0 | 0 | 108.1 | C31 L35 | C31-V33 PolarHBondContact O-N 2.85Å; V33-L35 HydrophobicContact CG1-CG 4.32Å; V33-L35 PolarHBondContact O-N 3.37Å; V33-L35 VanDerWaalsContact O-N 3.09Å | ||
| 34 | Q | 38.9 | Very low | 40.4 | Very low | 176 Ų | 176 | 140.2 Ų | 140.2 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | trans | -76.6 | 94.5 | 168.3 | -69.3 | -152.3 | -31.2 | 0 | 0 | 107.5 | P32 K36 | P32-Q34 VanDerWaalsContact C-N 3.34Å; P32-Q34 PolarHBondContact O-N 2.89Å; Q34-K36 PolarHBondContact O-N 2.81Å | ||
| 35 | L | 38.9 | Very low | 40.4 | Very low | 137 Ų | 137 | 141.3 Ų | 141.3 | 72% | 0.717 | 76% | 0.763 | S | S | * | * | trans | -64 | 90.2 | 165.5 | -85 | 163.3 | 0 | 0 | 0 | 108.4 | V33 I37 | V33-L35 HydrophobicContact CG1-CG 4.32Å; V33-L35 PolarHBondContact O-N 3.37Å; V33-L35 VanDerWaalsContact O-N 3.09Å; L35-I37 PolarHBondContact O-N 2.98Å; L35-I37 VanDerWaalsContact O-N 3.1Å | ||
| 36 | K | 39.4 | Very low | 40.7 | Very low | 189 Ų | 189 | 139.9 Ų | 139.9 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | trans | -84.2 | 73.7 | 172.4 | -164 | 167.5 | -170.7 | 165.2 | 0 | 108.5 | Q34 S38 | Q34-K36 PolarHBondContact O-N 2.81Å; K36-S38 PolarHBondContact O-N 2.78Å; K36-S38 VanDerWaalsContact O-N 3.11Å | ||
| 37 | I | 45.9 | Very low | 40.6 | Very low | 82 Ų | 82 | 139.8 Ų | 139.8 | 42% | 0.421 | 76% | 0.764 | S | S | . | * | trans | -79.1 | 95.4 | 170 | -57.4 | 169.8 | 0 | 0 | 0 | 106.4 | L35 K39 V141 F142 | L35-I37 PolarHBondContact O-N 2.98Å; L35-I37 VanDerWaalsContact O-N 3.1Å; I37-K39 PolarHBondContact O-N 3.06Å; I37-V141 HydrophobicContact CD1-CG1 4.38Å; I37-F142 HydrophobicContact CB-CE1 4.39Å; I37-F142 HydrophobicContact CB-CZ 3.82Å; I37-F142 HydrophobicContact CD1-CE1 4.28Å; I37-F142 HydrophobicContact CD1-CZ 4.26Å; I37-F142 HydrophobicContact CG2-CE2 4.19Å; I37-F142 HydrophobicContact CG2-CZ 3.63Å | ||
| 38 | S | 41.2 | Very low | 40.4 | Very low | 90 Ų | 90 | 138.2 Ų | 138.2 | 63% | 0.629 | 76% | 0.76 | S | S | * | * | trans | -61.4 | 121.5 | 171 | 39 | 0 | 0 | 0 | 0 | 109.2 | K36 S40 | K36-S38 PolarHBondContact O-N 2.78Å; K36-S38 VanDerWaalsContact O-N 3.11Å; S38-S40 PolarHBondContact O-N 2.83Å | ||
| 39 | K | 40.6 | Very low | 40.1 | Very low | 193 Ų | 193 | 134.8 Ų | 134.8 | 84% | 0.839 | 75% | 0.751 | S | S | * | * | trans | -66.6 | 76.5 | 167.6 | -152.3 | 174.4 | -166.6 | 170.7 | 0 | 108.1 | I37 V41 | I37-K39 PolarHBondContact O-N 3.06Å; K39-V41 PolarHBondContact O-N 3.24Å; K39-V41 VanDerWaalsContact O-N 3.11Å | ||
| 40 | S | 43.5 | Very low | 39.7 | Very low | 90 Ų | 90 | 133.5 Ų | 133.5 | 63% | 0.629 | 75% | 0.75 | S | S | * | * | trans | -74.6 | 99.4 | 170.7 | 55 | 0 | 0 | 0 | 0 | 107.5 | S38 A42 | S38-S40 PolarHBondContact O-N 2.83Å; S40-A42 PolarHBondContact O-N 2.95Å | ||
| 41 | V | 42.5 | Very low | 39.8 | Very low | 135 Ų | 135 | 130.7 Ų | 130.7 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | trans | -51.7 | 118.2 | 157.2 | 175.9 | 0 | 0 | 0 | 0 | 107.3 | K39 | K39-V41 PolarHBondContact O-N 3.24Å; K39-V41 VanDerWaalsContact O-N 3.11Å | ||
| 42 | A | 37.4 | Very low | 40.7 | Very low | 84 Ų | 84 | 134 Ų | 134 | 69% | 0.694 | 74% | 0.738 | S | S | * | * | trans | 58.5 | 86.2 | 165.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | S40 | S40-A42 PolarHBondContact O-N 2.95Š| ||
| 43 | D | 38.4 | Very low | 41.5 | Very low | 155 Ų | 155 | 134.3 Ų | 134.3 | 83% | 0.829 | 75% | 0.75 | S | S | * | * | trans | -138.9 | 107 | 142.6 | -100.8 | -30.5 | 0 | 0 | 0 | 110.8 | S45 | D43-S45 PolarHBondContact O-N 3.25Å; D43-S45 VanDerWaalsContact O-N 3.15Å | ||
| 44 | K | 37 | Very low | 43.7 | Very low | 208 Ų | 208 | 130.2 Ų | 130.2 | 90% | 0.904 | 73% | 0.734 | S | S | * | * | trans | -66.4 | 99.4 | 164.6 | -77.8 | 175.2 | 171.2 | 178.2 | 0 | 107.6 | ||||
| 45 | S | 34.5 | Very low | 46.3 | Very low | 104 Ų | 104 | 124.6 Ų | 124.6 | 73% | 0.727 | 71% | 0.708 | S | S | * | * | trans | 156.7 | 83.5 | 145.3 | 51 | 0 | 0 | 0 | 0 | 113.5 | D43 | D43-S45 PolarHBondContact O-N 3.25Å; D43-S45 VanDerWaalsContact O-N 3.15Å | ||
| 46 | L | 39.8 | Very low | 48.9 | Very low | 174 Ų | 174 | 119.9 Ų | 119.9 | 91% | 0.911 | 68% | 0.681 | S | S | * | * | trans | -145 | 74.1 | 141.1 | -150.8 | 78.1 | 0 | 0 | 0 | 107.8 | T48 | L46-T48 PolarHBondContact O-N 2.79Š| ||
| 47 | S | 37.1 | Very low | 51.6 | Low | 92 Ų | 92 | 114.2 Ų | 114.2 | 64% | 0.643 | 66% | 0.664 | S | S | * | * | trans | -75.3 | 104.5 | -178.2 | 54.7 | 0 | 0 | 0 | 0 | 110.6 | T49 | S47-T49 VanDerWaalsContact C-N 3.26Å; S47-T49 PolarHBondContact O-N 3.22Å; S47-T49 VanDerWaalsContact O-N 3.15Å | ||
| 48 | T | 42.2 | Very low | 54 | Low | 135 Ų | 135 | 110.7 Ų | 110.7 | 83% | 0.828 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -73 | 91.6 | 149.5 | -34.8 | 0 | 0 | 0 | 0 | 105.4 | L46 | L46-T48 PolarHBondContact O-N 2.79Š|
| 49 | T | 38.4 | Very low | 56.6 | Low | 103 Ų | 103 | 111 Ų | 111 | 63% | 0.632 | 64% | 0.643 | S | S | * | * | trans | 30.9 | 101.8 | 175.1 | 54 | 0 | 0 | 0 | 0 | 117.2 | S47 D51 | S47-T49 VanDerWaalsContact C-N 3.26Å; S47-T49 PolarHBondContact O-N 3.22Å; S47-T49 VanDerWaalsContact O-N 3.15Å; T49-D51 PolarHBondContact O-N 2.8Å; T49-D51 VanDerWaalsContact O-N 3.17Å | ||
| 50 | P | 34.8 | Very low | 59.2 | Low | 113 Ų | 113 | 102.2 Ų | 102.2 | 73% | 0.734 | 61% | 0.606 | S | S | * | * | trans | -87.5 | 77.7 | 171.5 | 34.9 | -23.9 | 0 | 0 | 0 | 108.3 | ||||
| 51 | D | 41.9 | Very low | 61.8 | Low | 129 Ų | 129 | 102 Ų | 102 | 69% | 0.69 | 59% | 0.594 | S | S | * | * | trans | -113 | 102.4 | 178 | -109.6 | -20.6 | 0 | 0 | 0 | 109.6 | T49 | T49-D51 PolarHBondContact O-N 2.8Å; T49-D51 VanDerWaalsContact O-N 3.17Å | ||
| 52 | R | 54.3 | Low | 64.4 | Low | 183 Ų | 183 | 97 Ų | 97 | 69% | 0.691 | 56% | 0.56 | S | S | * | * | S | Bend | trans | 82.2 | 100.8 | -170.9 | -59.1 | -179.7 | 175.5 | 165.3 | 1.7 | 115.5 | G54 E55 | R52-G54 PolarHBondContact O-N 3.1Å; R52-E55 HydrophobicContact CB-CG 4.14Å; R52-E55 WeakPolarHBondContact CD-OE1 3.38Å; R52-E55 IonicContact CZ-OE1 3.97Å; R52-E55 IonicContact NE-OE1 3.95Å; R52-E55 IonicContact NH1-OE1 3.13Å; R52-E55 PolarHBondContact NH1-OE1 3.04Å; R52-E55 VanDerWaalsContact NH1-OE1 3.13Å; R52-E55 PolarHBondContact O-N 3.4Å |
| 53 | A | 66.3 | Low | 67 | Low | 116 Ų | 116 | 96.6 Ų | 96.6 | 96% | 0.959 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 114 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 54 | G | 84.4 | Confident | 69.4 | Low | 46 Ų | 46 | 90.3 Ų | 90.3 | 47% | 0.474 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 105.5 | 2.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | R52 P98 | R52-G54 PolarHBondContact O-N 3.1Å; G54-P98 WeakPolarHBondContact O-CA 3.36Å |
| 55 | E | 93.4 | Very high | 72 | Confident | 58 Ų | 58 | 86.6 Ų | 86.6 | 27% | 0.271 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 143.8 | 167.8 | -64.2 | 180 | -176.4 | 0 | 0 | 110.9 | R52 N96 L97 | R52-E55 HydrophobicContact CB-CG 4.14Å; R52-E55 WeakPolarHBondContact CD-OE1 3.38Å; R52-E55 IonicContact CZ-OE1 3.97Å; R52-E55 IonicContact NE-OE1 3.95Å; R52-E55 IonicContact NH1-OE1 3.13Å; R52-E55 PolarHBondContact NH1-OE1 3.04Å; R52-E55 VanDerWaalsContact NH1-OE1 3.13Å; R52-E55 PolarHBondContact O-N 3.4Å; E55-N96 HydrophobicContact CB-CB 4.05Å; E55-N96 WeakPolarHBondContact OE2-CB 3.38Å; E55-L97 CarbonylContact C-O 3.54Å; E55-L97 WeakPolarHBondContact CA-O 3Å |
| 56 | Y | 94.3 | Very high | 74.9 | Confident | 38 Ų | 38 | 82.3 Ų | 82.3 | 15% | 0.149 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 140.6 | -180 | -58.1 | -89.3 | 0 | 0 | 0 | 111.1 | V58 N96 L97 E99 I134 R136 Y139 | Y56-V58 PolarHBondContact O-N 2.9Å; Y56-N96 WeakPolarHBondContact O-CA 3.41Å; Y56-L97 PolarHBondContact N-O 3.02Å; Y56-L97 PolarHBondContact O-N 2.89Å; Y56-E99 HydrophobicContact CE2-CB 3.99Å; Y56-E99 HydrophobicContact CE2-CG 4.47Å; Y56-I134 HydrophobicContact CD2-CG2 3.75Å; Y56-I134 HydrophobicContact CE2-CG2 4.49Å; Y56-I134 HydrophobicContact CG-CG2 4.17Å; Y56-R136 HydrophobicContact CE1-CG 4.48Å; Y56-R136 WeakPolarHBondContact OH-CB 3.35Å; Y56-R136 WeakPolarHBondContact OH-CD 3.24Å; Y56-R136 VanDerWaalsContact OH-CG 3.26Å; Y56-R136 WeakPolarHBondContact OH-CG 3.28Å; Y56-Y139 VanDerWaalsContact CB-CE2 3.48Å; Y56-Y139 AromaticContact CD1-CD1 3.8Å; Y56-Y139 HydrophobicContact CD1-CD1 3.8Å; Y56-Y139 AromaticContact CD1-CD2 3.37Å; Y56-Y139 HydrophobicContact CD1-CD2 3.37Å; Y56-Y139 HydrophobicContact CD1-CE1 4.25Å; Y56-Y139 AromaticContact CD1-CE2 3.88Å; Y56-Y139 HydrophobicContact CD1-CE2 3.88Å; Y56-Y139 AromaticContact CD1-CG 3.33Å; Y56-Y139 HydrophobicContact CD1-CG 3.33Å; Y56-Y139 AromaticContact CE1-CD2 3.97Å; Y56-Y139 HydrophobicContact CE1-CD2 3.97Å; Y56-Y139 AromaticContact CE1-CG 3.99Å; Y56-Y139 HydrophobicContact CE1-CG 3.99Å; Y56-Y139 HydrophobicContact CG-CD1 4.35Å; Y56-Y139 AromaticContact CG-CD2 3.72Å; Y56-Y139 HydrophobicContact CG-CD2 3.72Å; Y56-Y139 HydrophobicContact CG-CE1 4.34Å; Y56-Y139 AromaticContact CG-CE2 3.73Å; Y56-Y139 HydrophobicContact CG-CE2 3.73Å; Y56-Y139 HydrophobicContact CG-CG 4.05Å |
| 57 | P | 95.9 | Very high | 77.5 | Confident | 71 Ų | 71 | 82.4 Ų | 82.4 | 46% | 0.461 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 119.8 | 178.1 | 28.9 | -33.4 | 0 | 0 | 0 | 110.4 | I94 N96 Y139 | P57-I94 HydrophobicContact CB-CG2 3.96Å; P57-N96 WeakPolarHBondContact CA-OD1 3.42Å; P57-Y139 HydrophobicContact CG-CE1 4.12Å; P57-Y139 VanDerWaalsContact O-CE1 3.26Å; P57-Y139 WeakPolarHBondContact O-CE1 3.38Å; P57-Y139 PolarHBondContact O-OH 2.81Å |
| 58 | V | 95.6 | Very high | 80.3 | Confident | 8 Ų | 8 | 83.9 Ų | 83.9 | 5% | 0.048 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 126.9 | 177.6 | 179.1 | 0 | 0 | 0 | 0 | 109.3 | Y56 V60 I94 I95 L97 L132 I134 Y139 | Y56-V58 PolarHBondContact O-N 2.9Å; V58-V60 HydrophobicContact CG1-CG2 4.15Å; V58-I94 VanDerWaalsContact O-CA 3.3Å; V58-I94 WeakPolarHBondContact O-CA 3.45Å; V58-I95 WeakPolarHBondContact CB-O 3.35Å; V58-I95 PolarHBondContact N-O 2.97Å; V58-I95 PolarHBondContact O-N 3.33Å; V58-L97 HydrophobicContact CG2-CB 4.25Å; V58-L97 HydrophobicContact CG2-CD1 4.24Å; V58-L132 HydrophobicContact CB-CD2 4.26Å; V58-L132 HydrophobicContact CG1-CD1 4.14Å; V58-L132 HydrophobicContact CG1-CD2 3.44Å; V58-L132 VanDerWaalsContact CG1-CD2 3.44Å; V58-L132 HydrophobicContact CG1-CG 4.43Å; V58-L132 HydrophobicContact CG2-CD2 3.99Å; V58-I134 HydrophobicContact CG2-CD1 3.43Å; V58-I134 VanDerWaalsContact CG2-CD1 3.43Å; V58-I134 HydrophobicContact CG2-CG1 3.95Å; V58-Y139 WeakPolarHBondContact CG2-OH 3.18Å |
| 59 | V | 96 | Very high | 83 | Confident | 95 Ų | 95 | 77.6 Ų | 77.6 | 58% | 0.576 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 118.2 | 169.9 | -178.1 | 0 | 0 | 0 | 0 | 109 | I92 I94 | V59-I92 HydrophobicContact CG1-CG2 3.94Å; V59-I94 HydrophobicContact CG2-CG1 4.34Å |
| 60 | V | 96.4 | Very high | 85.8 | Confident | 9 Ų | 9 | 75.3 Ų | 75.3 | 6% | 0.055 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 123.4 | 171.1 | -176.1 | 0 | 0 | 0 | 0 | 108.4 | V58 V71 M84 I92 T93 I95 F104 F106 | V58-V60 HydrophobicContact CG1-CG2 4.15Å; V60-V71 HydrophobicContact CG1-CG2 4.25Å; V60-M84 HydrophobicContact CG1-CE 4.37Å; V60-M84 VanDerWaalsContact O-CE 3.3Å; V60-M84 WeakPolarHBondContact O-CE 3.28Å; V60-I92 WeakPolarHBondContact O-CA 3.29Å; V60-T93 HydrophobicContact CB-CG2 4.08Å; V60-T93 PolarHBondContact N-O 2.86Å; V60-T93 PolarHBondContact O-N 3.32Å; V60-I95 HydrophobicContact CG2-CD1 4.1Å; V60-F104 HydrophobicContact CG1-CD2 4.39Å; V60-F104 HydrophobicContact CG1-CE2 4.08Å; V60-F106 HydrophobicContact CG1-CE1 3.73Å; V60-F106 HydrophobicContact CG1-CZ 3.83Å |
| 61 | K | 96.9 | Very high | 88.8 | Confident | 87 Ų | 87 | 69.9 Ų | 69.9 | 38% | 0.378 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 139.2 | -173.8 | -175.7 | 178.5 | -171.5 | -168.4 | 0 | 110.7 | T63 D90 F91 I92 F106 | K61-T63 HydrophobicContact CD-CG2 3.99Å; K61-T63 HydrophobicContact CG-CG2 4.08Å; K61-D90 WeakPolarHBondContact CE-OD1 3.45Å; K61-D90 WeakPolarHBondContact CE-OD2 3.32Å; K61-D90 HydrophobicContact CG-CB 4.42Å; K61-D90 IonicContact NZ-OD1 3.65Å; K61-D90 IonicContact NZ-OD2 2.7Å; K61-D90 PolarHBondContact NZ-OD2 3.14Å; K61-F91 CarbonylContact C-O 3.58Å; K61-F91 WeakPolarHBondContact CA-O 3.45Å; K61-I92 HydrophobicContact CG-CG1 4.1Å; K61-F106 WeakPolarHBondContact O-CZ 3.3Å |
| 62 | W | 97 | Very high | 91.4 | Very high | 30 Ų | 30 | 63.8 Ų | 63.8 | 11% | 0.114 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 124.9 | 169.4 | 173.7 | -94.9 | 0 | 0 | 0 | 109.2 | G64 V69 M84 D90 F91 F106 V108 T113 D115 | W62-G64 VanDerWaalsContact NE1-CA 3.34Å; W62-G64 PolarHBondContact NE1-O 3.38Å; W62-G64 VanDerWaalsContact NE1-O 3.17Å; W62-V69 HydrophobicContact CB-CG1 4.24Å; W62-V69 HydrophobicContact CG-CG1 4.18Å; W62-V69 HydrophobicContact CG-CG2 4.45Å; W62-M84 HydrophobicContact CB-CE 4.2Å; W62-D90 WeakPolarHBondContact O-CA 3.45Å; W62-F91 HydrophobicContact CB-CB 4.26Å; W62-F91 PolarHBondContact N-O 3.1Å; W62-F91 PolarHBondContact O-N 3.41Å; W62-F106 HydrophobicContact CB-CD1 4.12Å; W62-F106 HydrophobicContact CB-CE1 3.87Å; W62-F106 HydrophobicContact CB-CZ 4.35Å; W62-F106 HydrophobicContact CD2-CD1 4.5Å; W62-F106 HydrophobicContact CD2-CG 4.38Å; W62-F106 HydrophobicContact CE3-CB 4.09Å; W62-F106 HydrophobicContact CE3-CD1 4.04Å; W62-F106 AromaticContact CE3-CD2 3.5Å; W62-F106 HydrophobicContact CE3-CD2 3.5Å; W62-F106 VanDerWaalsContact CE3-CD2 3.5Å; W62-F106 HydrophobicContact CE3-CE1 4.32Å; W62-F106 AromaticContact CE3-CE2 3.8Å; W62-F106 HydrophobicContact CE3-CE2 3.8Å; W62-F106 AromaticContact CE3-CG 3.61Å; W62-F106 HydrophobicContact CE3-CG 3.61Å; W62-F106 HydrophobicContact CE3-CZ 4.19Å; W62-F106 HydrophobicContact CZ3-CB 4.28Å; W62-F106 AromaticContact CZ3-CD2 3.77Å; W62-F106 HydrophobicContact CZ3-CD2 3.77Å; W62-F106 HydrophobicContact CZ3-CE2 4.31Å; W62-F106 HydrophobicContact CZ3-CG 4.11Å; W62-V108 HydrophobicContact CD2-CG2 4.14Å; W62-V108 HydrophobicContact CH2-CG2 4.24Å; W62-V108 HydrophobicContact CZ2-CG1 4.41Å; W62-V108 HydrophobicContact CZ2-CG2 3.82Å; W62-T113 HydrophobicContact CH2-CG2 3.51Å; W62-T113 HydrophobicContact CZ2-CG2 4.16Å; W62-T113 HydrophobicContact CZ3-CG2 3.89Å; W62-D115 HydrophobicContact CZ3-CB 4.34Å |
| 63 | T | 92.6 | Very high | 93.5 | Very high | 75 Ų | 75 | 55.1 Ų | 55.1 | 46% | 0.46 | 32% | 0.324 | S | S | . | . | trans | -105.3 | 16 | -173.5 | 55.3 | 0 | 0 | 0 | 0 | 114.1 | K61 D90 | K61-T63 HydrophobicContact CD-CG2 3.99Å; K61-T63 HydrophobicContact CG-CG2 4.08Å; T63-D90 WeakPolarHBondContact CA-OD1 3.44Å; T63-D90 VanDerWaalsContact CG2-OD1 3.24Å; T63-D90 WeakPolarHBondContact CG2-OD1 3.45Å | ||
| 64 | G | 89.5 | Confident | 94.9 | Very high | 22 Ų | 22 | 51.7 Ų | 51.7 | 23% | 0.227 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -99.2 | 152.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | W62 A66 | W62-G64 VanDerWaalsContact NE1-CA 3.34Å; W62-G64 PolarHBondContact NE1-O 3.38Å; W62-G64 VanDerWaalsContact NE1-O 3.17Å; G64-A66 PolarHBondContact O-N 2.72Å |
| 65 | S | 91.8 | Very high | 95.4 | Very high | 130 Ų | 130 | 52.7 Ų | 52.7 | 91% | 0.909 | 28% | 0.283 | S | S | * | . | trans | -62.5 | 124.9 | 169.3 | -69.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 66 | A | 94.3 | Very high | 95.4 | Very high | 15 Ų | 15 | 51.7 Ų | 51.7 | 12% | 0.124 | 28% | 0.279 | C | S | . | . | trans | -156.4 | 159.8 | 179 | 0 | 0 | 0 | 0 | 0 | 111.3 | G64 V69 F91 V108 D109 | G64-A66 PolarHBondContact O-N 2.72Å; A66-V69 HydrophobicContact CB-CG2 3.51Å; A66-F91 HydrophobicContact CB-CE2 3.91Å; A66-F91 HydrophobicContact CB-CZ 4.23Å; A66-F91 WeakPolarHBondContact O-CZ 3.48Å; A66-V108 HydrophobicContact CB-CG1 3.53Å; A66-D109 WeakPolarHBondContact CA-OD2 3.41Å | ||
| 67 | K | 94.6 | Very high | 95.3 | Very high | 175 Ų | 175 | 52.1 Ų | 52.1 | 76% | 0.761 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -86.9 | -44.1 | 169.9 | -59.7 | 178.2 | -178.8 | 174.9 | 0 | 111.3 | D109 | K67-D109 WeakPolarHBondContact CA-OD1 3.45Å; K67-D109 VanDerWaalsContact CB-OD1 3.28Å; K67-D109 WeakPolarHBondContact CB-OD1 3.47Å; K67-D109 VanDerWaalsContact N-CG 3.34Å; K67-D109 PolarHBondContact N-OD1 3.12Å; K67-D109 PolarHBondContact N-OD2 3.31Å |
| 68 | Q | 95.9 | Very high | 95.3 | Very high | 124 Ų | 124 | 53.5 Ų | 53.5 | 58% | 0.579 | 29% | 0.292 | S | S | * | . | trans | -140.8 | 135.6 | 178.8 | -66.9 | -176.8 | -14 | 0 | 0 | 110.5 | F70 D109 | Q68-F70 HydrophobicContact CB-CE2 4.1Å; Q68-D109 PolarHBondContact N-OD1 3.3Å; Q68-D109 PolarHBondContact O-N 2.69Å | ||
| 69 | V | 98 | Very high | 95.3 | Very high | 3 Ų | 3 | 61.6 Ų | 61.6 | 2% | 0.018 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 134.5 | 178.1 | -173 | 0 | 0 | 0 | 0 | 109 | W62 A66 M84 F91 F106 V108 | W62-V69 HydrophobicContact CB-CG1 4.24Å; W62-V69 HydrophobicContact CG-CG1 4.18Å; W62-V69 HydrophobicContact CG-CG2 4.45Å; A66-V69 HydrophobicContact CB-CG2 3.51Å; V69-M84 HydrophobicContact CB-CB 4.34Å; V69-M84 HydrophobicContact CB-SD 4.26Å; V69-M84 HydrophobicContact CG1-CG 4.32Å; V69-M84 HydrophobicContact CG1-SD 3.44Å; V69-M84 WeakPolarHBondContact CG1-SD 3.37Å; V69-M84 WeakPolarHBondContact O-CB 3.45Å; V69-M84 PolarHBondContact O-N 3.26Å; V69-F91 HydrophobicContact CB-CB 4.02Å; V69-F91 HydrophobicContact CB-CD1 3.75Å; V69-F91 HydrophobicContact CB-CD2 4.38Å; V69-F91 HydrophobicContact CB-CE1 4.25Å; V69-F91 HydrophobicContact CB-CG 3.8Å; V69-F91 HydrophobicContact CG1-CB 4.46Å; V69-F91 HydrophobicContact CG2-CB 4.08Å; V69-F91 HydrophobicContact CG2-CD1 3.69Å; V69-F91 HydrophobicContact CG2-CD2 3.57Å; V69-F91 HydrophobicContact CG2-CE1 3.9Å; V69-F91 HydrophobicContact CG2-CE2 3.81Å; V69-F91 HydrophobicContact CG2-CG 3.51Å; V69-F91 HydrophobicContact CG2-CZ 3.96Å; V69-F106 HydrophobicContact CG1-CD1 4.13Å; V69-V108 HydrophobicContact CG1-CG2 3.99Å; V69-V108 HydrophobicContact CG2-CG1 4.4Å; V69-V108 HydrophobicContact CG2-CG2 4.27Å |
| 70 | F | 98.1 | Very high | 95.2 | Very high | 54 Ų | 54 | 65.7 Ų | 65.7 | 24% | 0.237 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 158.4 | 169.1 | -52.6 | -107.9 | 0 | 0 | 0 | 109.4 | Q68 K81 L82 P83 F106 Y107 | Q68-F70 HydrophobicContact CB-CE2 4.1Å; F70-K81 HydrophobicContact CB-CB 3.81Å; F70-K81 HydrophobicContact CD1-CB 4.05Å; F70-K81 HydrophobicContact CG-CB 4.15Å; F70-L82 CarbonylContact C-O 3.47Å; F70-L82 WeakPolarHBondContact CA-O 3.4Å; F70-L82 WeakPolarHBondContact CB-O 3.41Å; F70-P83 VanDerWaalsContact CD1-CA 3.48Å; F70-P83 HydrophobicContact CD1-CB 3.84Å; F70-P83 HydrophobicContact CE1-CB 3.79Å; F70-F106 CarbonylContact O-C 3.56Å; F70-F106 WeakPolarHBondContact O-CA 3.34Å; F70-Y107 AromaticContact CD2-CD1 3.97Å; F70-Y107 HydrophobicContact CD2-CD1 3.97Å; F70-Y107 PolarHBondContact N-O 3.27Å; F70-Y107 PolarHBondContact O-N 3.25Å |
| 71 | V | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 136.6 | 170.5 | 61.6 | 0 | 0 | 0 | 0 | 110 | V60 W75 L82 M84 T93 I95 F104 F106 | V60-V71 HydrophobicContact CG1-CG2 4.25Å; V71-W75 HydrophobicContact CG2-CH2 4.06Å; V71-W75 HydrophobicContact CG2-CZ2 4.49Å; V71-L82 HydrophobicContact CG1-CB 3.98Å; V71-L82 PolarHBondContact N-O 3.28Å; V71-L82 PolarHBondContact O-N 3.18Å; V71-M84 HydrophobicContact CB-SD 4.14Å; V71-M84 HydrophobicContact CG1-CG 4.24Å; V71-M84 HydrophobicContact CG1-SD 4.39Å; V71-T93 HydrophobicContact CG1-CG2 3.74Å; V71-I95 HydrophobicContact CG1-CD1 3.87Å; V71-F104 HydrophobicContact CG2-CB 4.27Å; V71-F104 HydrophobicContact CG2-CD2 3.94Å; V71-F106 HydrophobicContact CB-CD1 4.46Å |
| 72 | G | 97.1 | Very high | 95.2 | Very high | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.01 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 155 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | W78 F104 K105 | G72-W78 VanDerWaalsContact O-CZ3 3.25Å; G72-W78 WeakPolarHBondContact O-CZ3 3.43Å; G72-F104 CarbonylContact O-C 3.59Å; G72-F104 VanDerWaalsContact O-CA 3.25Å; G72-F104 WeakPolarHBondContact O-CA 3.48Å; G72-F104 WeakPolarHBondContact O-CB 3.41Å; G72-K105 PolarHBondContact N-O 2.85Å; G72-K105 PolarHBondContact O-N 2.91Å |
| 73 | G | 97 | Very high | 95.1 | Very high | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.1 | -179 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | W75 W78 E103 | G73-W75 VanDerWaalsContact C-N 3.27Å; G73-W75 PolarHBondContact O-N 3.05Å; G73-W78 PolarHBondContact O-N 3.04Å; G73-W78 VanDerWaalsContact O-N 3.08Å; G73-E103 CarbonylContact C-O 3.52Å; G73-E103 WeakPolarHBondContact CA-O 3.17Å |
| 74 | S | 96.7 | Very high | 95.4 | Very high | 44 Ų | 44 | 67.7 Ų | 67.7 | 31% | 0.308 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -66.9 | -24.5 | -173.1 | 55.6 | 0 | 0 | 0 | 0 | 114 | D76 G77 E103 | S74-D76 PolarHBondContact O-N 3.24Å; S74-D76 VanDerWaalsContact O-N 3.17Å; S74-G77 PolarHBondContact O-N 3.09Å; S74-E103 PolarHBondContact N-O 3.05Å; S74-E103 PolarHBondContact OG-N 2.99Å; S74-E103 PolarHBondContact OG-O 3.07Å |
| 75 | W | 94.5 | Very high | 95.7 | Very high | 68 Ų | 68 | 71.7 Ų | 71.7 | 26% | 0.258 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -62 | -23.4 | -173.6 | 53.5 | 81.5 | 0 | 0 | 0 | 114.8 | V71 G73 L82 I95 L97 H102 F104 | V71-W75 HydrophobicContact CG2-CH2 4.06Å; V71-W75 HydrophobicContact CG2-CZ2 4.49Å; G73-W75 VanDerWaalsContact C-N 3.27Å; G73-W75 PolarHBondContact O-N 3.05Å; W75-L82 HydrophobicContact CZ2-CD1 4.3Å; W75-I95 HydrophobicContact CH2-CD1 3.93Å; W75-I95 HydrophobicContact CZ2-CD1 3.73Å; W75-L97 HydrophobicContact CB-CD2 3.53Å; W75-L97 HydrophobicContact CD2-CD2 3.65Å; W75-L97 HydrophobicContact CE3-CD1 3.88Å; W75-L97 HydrophobicContact CE3-CD2 3.78Å; W75-L97 HydrophobicContact CG-CD2 3.54Å; W75-L97 HydrophobicContact CZ3-CD1 4.09Å; W75-H102 HydrophobicContact CE3-CB 4.41Å; W75-F104 HydrophobicContact CH2-CB 3.74Å; W75-F104 HydrophobicContact CZ3-CB 3.72Å |
| 76 | D | 92.5 | Very high | 95.9 | Very high | 36 Ų | 36 | 73.3 Ų | 73.3 | 19% | 0.193 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -118.7 | 12.2 | 174.1 | 78.5 | -13 | 0 | 0 | 0 | 113.2 | S74 W78 K79 R80 | S74-D76 PolarHBondContact O-N 3.24Å; S74-D76 VanDerWaalsContact O-N 3.17Å; D76-W78 WeakPolarHBondContact OD1-CA 2.97Å; D76-W78 PolarHBondContact OD1-N 3.42Å; D76-K79 VanDerWaalsContact O-CD 3.24Å; D76-K79 WeakPolarHBondContact O-CD 3.26Å; D76-K79 VanDerWaalsContact O-CG 3.22Å; D76-K79 WeakPolarHBondContact O-CG 3.43Å; D76-K79 PolarHBondContact OD1-N 3.31Å; D76-K79 VanDerWaalsContact OD1-N 3.08Å; D76-R80 WeakPolarHBondContact OD2-CB 3.48Å; D76-R80 WeakPolarHBondContact OD2-CG 3.47Å; D76-R80 PolarHBondContact OD2-N 2.76Å |
| 77 | G | 94.2 | Very high | 95.7 | Very high | 48 Ų | 48 | 75.6 Ų | 75.6 | 50% | 0.495 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.5 | 35.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S74 K79 | S74-G77 PolarHBondContact O-N 3.09Å; G77-K79 PolarHBondContact O-N 3.34Å |
| 78 | W | 94.6 | Very high | 95.3 | Very high | 100 Ų | 100 | 75.6 Ų | 75.6 | 38% | 0.379 | 37% | 0.369 | S | S | . | . | S | Bend | trans | 60.8 | 25.5 | 178.4 | -54.8 | 91.1 | 0 | 0 | 0 | 114.4 | G72 G73 D76 E103 K105 N129 | G72-W78 VanDerWaalsContact O-CZ3 3.25Å; G72-W78 WeakPolarHBondContact O-CZ3 3.43Å; G73-W78 PolarHBondContact O-N 3.04Å; G73-W78 VanDerWaalsContact O-N 3.08Å; D76-W78 WeakPolarHBondContact OD1-CA 2.97Å; D76-W78 PolarHBondContact OD1-N 3.42Å; W78-E103 HydrophobicContact CZ2-CB 3.95Å; W78-K105 HydrophobicContact CH2-CB 4.09Å; W78-K105 HydrophobicContact CZ3-CB 3.78Å; W78-N129 HydrophobicContact CH2-CB 4.45Å; W78-N129 WeakPolarHBondContact CZ2-ND2 3.29Å |
| 79 | K | 94.9 | Very high | 95.1 | Very high | 177 Ų | 177 | 77.6 Ų | 77.6 | 77% | 0.77 | 38% | 0.378 | S | S | * | . | trans | -78 | -35.4 | -173.8 | -72 | 176.4 | -170.7 | 171.2 | 0 | 112.3 | D76 G77 | D76-K79 VanDerWaalsContact O-CD 3.24Å; D76-K79 WeakPolarHBondContact O-CD 3.26Å; D76-K79 VanDerWaalsContact O-CG 3.22Å; D76-K79 WeakPolarHBondContact O-CG 3.43Å; D76-K79 PolarHBondContact OD1-N 3.31Å; D76-K79 VanDerWaalsContact OD1-N 3.08Å; G77-K79 PolarHBondContact O-N 3.34Å | ||
| 80 | R | 95.2 | Very high | 94.9 | Very high | 181 Ų | 181 | 79 Ų | 79 | 68% | 0.683 | 39% | 0.385 | S | S | * | . | trans | -119.2 | 150.1 | -174.1 | -55.7 | 174.6 | -176.7 | -178.7 | 1.3 | 110.9 | D76 | D76-R80 WeakPolarHBondContact OD2-CB 3.48Å; D76-R80 WeakPolarHBondContact OD2-CG 3.47Å; D76-R80 PolarHBondContact OD2-N 2.76Å | ||
| 81 | K | 95.8 | Very high | 94.8 | Very high | 86 Ų | 86 | 76.8 Ų | 76.8 | 37% | 0.374 | 38% | 0.376 | S | S | . | . | trans | -105.2 | 109.6 | 166.3 | -63 | -178 | -174.8 | -177 | 0 | 107.2 | F70 Y107 W112 | F70-K81 HydrophobicContact CB-CB 3.81Å; F70-K81 HydrophobicContact CD1-CB 4.05Å; F70-K81 HydrophobicContact CG-CB 4.15Å; K81-Y107 HydrophobicContact CD-CD1 3.94Å; K81-Y107 HydrophobicContact CD-CE1 4.39Å; K81-Y107 HydrophobicContact CD-CG 3.99Å; K81-Y107 VanDerWaalsContact NZ-CD2 3.34Å; K81-W112 HydrophobicContact CD-CH2 4.49Å; K81-W112 HydrophobicContact CD-CZ2 4.39Å; K81-W112 VanDerWaalsContact CE-CZ2 3.48Å; K81-W112 HydrophobicContact CG-CH2 4.2Å; K81-W112 HydrophobicContact CG-CZ2 4.45Å | ||
| 82 | L | 96.4 | Very high | 94.8 | Very high | 54 Ų | 54 | 79.5 Ų | 79.5 | 28% | 0.283 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 120 | 178.9 | -63.6 | 174.3 | 0 | 0 | 0 | 109 | F70 V71 W75 I95 | F70-L82 CarbonylContact C-O 3.47Å; F70-L82 WeakPolarHBondContact CA-O 3.4Å; F70-L82 WeakPolarHBondContact CB-O 3.41Å; V71-L82 HydrophobicContact CG1-CB 3.98Å; V71-L82 PolarHBondContact N-O 3.28Å; V71-L82 PolarHBondContact O-N 3.18Å; W75-L82 HydrophobicContact CZ2-CD1 4.3Å; L82-I95 HydrophobicContact CD1-CD1 3.78Å; L82-I95 HydrophobicContact CD1-CG1 4.16Å; L82-I95 HydrophobicContact CD1-CG2 4.46Å |
| 83 | P | 96.8 | Very high | 94.8 | Very high | 88 Ų | 88 | 80.7 Ų | 80.7 | 57% | 0.571 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 136.5 | 177.6 | 27.4 | -33.3 | 0 | 0 | 0 | 110.4 | F70 | F70-P83 VanDerWaalsContact CD1-CA 3.48Å; F70-P83 HydrophobicContact CD1-CB 3.84Å; F70-P83 HydrophobicContact CE1-CB 3.79Å |
| 84 | M | 97.8 | Very high | 94.7 | Very high | 15 Ų | 15 | 85.9 Ų | 85.9 | 7% | 0.074 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -96.2 | 145.1 | 176.3 | -60.9 | -179.4 | 68.6 | 0 | 0 | 110.5 | V60 W62 V69 V71 F91 T93 F106 | V60-M84 HydrophobicContact CG1-CE 4.37Å; V60-M84 VanDerWaalsContact O-CE 3.3Å; V60-M84 WeakPolarHBondContact O-CE 3.28Å; W62-M84 HydrophobicContact CB-CE 4.2Å; V69-M84 HydrophobicContact CB-CB 4.34Å; V69-M84 HydrophobicContact CB-SD 4.26Å; V69-M84 HydrophobicContact CG1-CG 4.32Å; V69-M84 HydrophobicContact CG1-SD 3.44Å; V69-M84 WeakPolarHBondContact CG1-SD 3.37Å; V69-M84 WeakPolarHBondContact O-CB 3.45Å; V69-M84 PolarHBondContact O-N 3.26Å; V71-M84 HydrophobicContact CB-SD 4.14Å; V71-M84 HydrophobicContact CG1-CG 4.24Å; V71-M84 HydrophobicContact CG1-SD 4.39Å; M84-F91 HydrophobicContact CB-CB 3.96Å; M84-F91 HydrophobicContact CB-CD1 4.42Å; M84-F91 HydrophobicContact CE-CB 4.19Å; M84-F91 WeakPolarHBondContact CE-O 3.25Å; M84-T93 HydrophobicContact CE-CG2 4.33Å; M84-T93 HydrophobicContact CG-CG2 3.97Å; M84-F106 HydrophobicContact CE-CE1 3.94Å; M84-F106 HydrophobicContact SD-CD1 3.79Å; M84-F106 HydrophobicContact SD-CE1 3.77Å |
| 85 | V | 96.6 | Very high | 94.7 | Very high | 107 Ų | 107 | 84.5 Ų | 84.5 | 65% | 0.648 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 127.4 | 178.9 | -179.1 | 0 | 0 | 0 | 0 | 108.9 | F91 I92 | V85-F91 CarbonylContact O-C 3.55Å; V85-F91 WeakPolarHBondContact O-CA 3.31Å; V85-I92 PolarHBondContact N-O 3.32Å; V85-I92 PolarHBondContact O-N 3.22Å |
| 86 | R | 95.6 | Very high | 94.7 | Very high | 164 Ų | 164 | 84.8 Ų | 84.8 | 62% | 0.619 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 126.3 | 174.7 | -171.3 | 176.3 | 175.9 | -179.1 | 0.4 | 110.3 | F91 | R86-F91 HydrophobicContact CB-CD1 3.87Å; R86-F91 HydrophobicContact CB-CE1 3.55Å; R86-F91 HydrophobicContact CB-CZ 3.98Å; R86-F91 HydrophobicContact CG-CD1 4.32Å; R86-F91 HydrophobicContact CG-CE1 3.84Å; R86-F91 HydrophobicContact CG-CE2 4.09Å; R86-F91 HydrophobicContact CG-CZ 3.71Å |
| 87 | S | 89.5 | Confident | 94.9 | Very high | 62 Ų | 62 | 83.2 Ų | 83.2 | 43% | 0.434 | 41% | 0.41 | S | S | . | . | trans | -98.3 | -152.8 | 167 | -171.3 | 0 | 0 | 0 | 0 | 109.7 | D90 | S87-D90 PolarHBondContact N-O 3.31Š| ||
| 88 | H | 87.1 | Confident | 94.9 | Very high | 176 Ų | 176 | 83.7 Ų | 83.7 | 82% | 0.815 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -64.5 | -64.2 | 177.4 | -66.3 | -71.7 | 0 | 0 | 0 | 112 | ||
| 89 | E | 90.1 | Very high | 94.9 | Very high | 166 Ų | 166 | 84 Ų | 84 | 78% | 0.776 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -111.9 | -10.4 | -175.9 | -62.4 | -174.1 | 162.7 | 0 | 0 | 113.1 | ||
| 90 | D | 94.2 | Very high | 95 | Very high | 31 Ų | 31 | 76.9 Ų | 76.9 | 17% | 0.166 | 39% | 0.387 | C | S | . | . | trans | -126.1 | 160.7 | -169.7 | -57 | -54.6 | 0 | 0 | 0 | 112.3 | K61 W62 T63 S87 I92 | K61-D90 WeakPolarHBondContact CE-OD1 3.45Å; K61-D90 WeakPolarHBondContact CE-OD2 3.32Å; K61-D90 HydrophobicContact CG-CB 4.42Å; K61-D90 IonicContact NZ-OD1 3.65Å; K61-D90 IonicContact NZ-OD2 2.7Å; K61-D90 PolarHBondContact NZ-OD2 3.14Å; W62-D90 WeakPolarHBondContact O-CA 3.45Å; T63-D90 WeakPolarHBondContact CA-OD1 3.44Å; T63-D90 VanDerWaalsContact CG2-OD1 3.24Å; T63-D90 WeakPolarHBondContact CG2-OD1 3.45Å; S87-D90 PolarHBondContact N-O 3.31Å; D90-I92 HydrophobicContact CB-CG1 4.42Å | ||
| 91 | F | 97.5 | Very high | 95.1 | Very high | 9 Ų | 9 | 75 Ų | 75 | 4% | 0.039 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 134.7 | 164.6 | -69.9 | -105.9 | 0 | 0 | 0 | 109.2 | K61 W62 A66 V69 M84 V85 R86 | K61-F91 CarbonylContact C-O 3.58Å; K61-F91 WeakPolarHBondContact CA-O 3.45Å; W62-F91 HydrophobicContact CB-CB 4.26Å; W62-F91 PolarHBondContact N-O 3.1Å; W62-F91 PolarHBondContact O-N 3.41Å; A66-F91 HydrophobicContact CB-CE2 3.91Å; A66-F91 HydrophobicContact CB-CZ 4.23Å; A66-F91 WeakPolarHBondContact O-CZ 3.48Å; V69-F91 HydrophobicContact CB-CB 4.02Å; V69-F91 HydrophobicContact CB-CD1 3.75Å; V69-F91 HydrophobicContact CB-CD2 4.38Å; V69-F91 HydrophobicContact CB-CE1 4.25Å; V69-F91 HydrophobicContact CB-CG 3.8Å; V69-F91 HydrophobicContact CG1-CB 4.46Å; V69-F91 HydrophobicContact CG2-CB 4.08Å; V69-F91 HydrophobicContact CG2-CD1 3.69Å; V69-F91 HydrophobicContact CG2-CD2 3.57Å; V69-F91 HydrophobicContact CG2-CE1 3.9Å; V69-F91 HydrophobicContact CG2-CE2 3.81Å; V69-F91 HydrophobicContact CG2-CG 3.51Å; V69-F91 HydrophobicContact CG2-CZ 3.96Å; M84-F91 HydrophobicContact CB-CB 3.96Å; M84-F91 HydrophobicContact CB-CD1 4.42Å; M84-F91 HydrophobicContact CE-CB 4.19Å; M84-F91 WeakPolarHBondContact CE-O 3.25Å; V85-F91 CarbonylContact O-C 3.55Å; V85-F91 WeakPolarHBondContact O-CA 3.31Å; R86-F91 HydrophobicContact CB-CD1 3.87Å; R86-F91 HydrophobicContact CB-CE1 3.55Å; R86-F91 HydrophobicContact CB-CZ 3.98Å; R86-F91 HydrophobicContact CG-CD1 4.32Å; R86-F91 HydrophobicContact CG-CE1 3.84Å; R86-F91 HydrophobicContact CG-CE2 4.09Å; R86-F91 HydrophobicContact CG-CZ 3.71Å |
| 92 | I | 97 | Very high | 95.2 | Very high | 57 Ų | 57 | 71.6 Ų | 71.6 | 29% | 0.292 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 145 | -175.1 | -57.8 | 173.4 | 0 | 0 | 0 | 110 | V59 V60 K61 V85 D90 | V59-I92 HydrophobicContact CG1-CG2 3.94Å; V60-I92 WeakPolarHBondContact O-CA 3.29Å; K61-I92 HydrophobicContact CG-CG1 4.1Å; V85-I92 PolarHBondContact N-O 3.32Å; V85-I92 PolarHBondContact O-N 3.22Å; D90-I92 HydrophobicContact CB-CG1 4.42Å |
| 93 | T | 96.4 | Very high | 95.2 | Very high | 26 Ų | 26 | 71.4 Ų | 71.4 | 16% | 0.16 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 158.5 | 162.6 | -168.5 | 0 | 0 | 0 | 0 | 109.9 | V60 V71 M84 I95 | V60-T93 HydrophobicContact CB-CG2 4.08Å; V60-T93 PolarHBondContact N-O 2.86Å; V60-T93 PolarHBondContact O-N 3.32Å; V71-T93 HydrophobicContact CG1-CG2 3.74Å; M84-T93 HydrophobicContact CE-CG2 4.33Å; M84-T93 HydrophobicContact CG-CG2 3.97Å; T93-I95 HydrophobicContact CG2-CD1 4.07Å; T93-I95 HydrophobicContact CG2-CG1 3.99Å |
| 94 | I | 96.4 | Very high | 95.3 | Very high | 108 Ų | 108 | 67.8 Ų | 67.8 | 55% | 0.554 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 126.4 | 174.2 | -57.7 | 178.4 | 0 | 0 | 0 | 107.6 | P57 V58 V59 | P57-I94 HydrophobicContact CB-CG2 3.96Å; V58-I94 VanDerWaalsContact O-CA 3.3Å; V58-I94 WeakPolarHBondContact O-CA 3.45Å; V59-I94 HydrophobicContact CG2-CG1 4.34Å |
| 95 | I | 95 | Very high | 95.2 | Very high | 16 Ų | 16 | 68 Ų | 68 | 8% | 0.082 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 128.2 | -178.1 | -48.8 | 174.8 | 0 | 0 | 0 | 107.9 | V58 V60 V71 W75 L82 T93 L97 | V58-I95 WeakPolarHBondContact CB-O 3.35Å; V58-I95 PolarHBondContact N-O 2.97Å; V58-I95 PolarHBondContact O-N 3.33Å; V60-I95 HydrophobicContact CG2-CD1 4.1Å; V71-I95 HydrophobicContact CG1-CD1 3.87Å; W75-I95 HydrophobicContact CH2-CD1 3.93Å; W75-I95 HydrophobicContact CZ2-CD1 3.73Å; L82-I95 HydrophobicContact CD1-CD1 3.78Å; L82-I95 HydrophobicContact CD1-CG1 4.16Å; L82-I95 HydrophobicContact CD1-CG2 4.46Å; T93-I95 HydrophobicContact CG2-CD1 4.07Å; T93-I95 HydrophobicContact CG2-CG1 3.99Å; I95-L97 HydrophobicContact CB-CG 4.31Å; I95-L97 HydrophobicContact CG2-CD1 4.41Å; I95-L97 HydrophobicContact CG2-CD2 3.74Å; I95-L97 HydrophobicContact CG2-CG 3.83Å |
| 96 | N | 95.7 | Very high | 95.3 | Very high | 73 Ų | 73 | 63 Ų | 63 | 39% | 0.39 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 121.6 | 171.4 | -67.7 | -12.8 | 0 | 0 | 0 | 108.8 | E55 Y56 P57 | E55-N96 HydrophobicContact CB-CB 4.05Å; E55-N96 WeakPolarHBondContact OE2-CB 3.38Å; Y56-N96 WeakPolarHBondContact O-CA 3.41Å; P57-N96 WeakPolarHBondContact CA-OD1 3.42Å |
| 97 | L | 95.8 | Very high | 95.4 | Very high | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.016 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 142.6 | -175.4 | -67.5 | 178.8 | 0 | 0 | 0 | 110.5 | E55 Y56 V58 W75 I95 L132 I134 | E55-L97 CarbonylContact C-O 3.54Å; E55-L97 WeakPolarHBondContact CA-O 3Å; Y56-L97 PolarHBondContact N-O 3.02Å; Y56-L97 PolarHBondContact O-N 2.89Å; V58-L97 HydrophobicContact CG2-CB 4.25Å; V58-L97 HydrophobicContact CG2-CD1 4.24Å; W75-L97 HydrophobicContact CB-CD2 3.53Å; W75-L97 HydrophobicContact CD2-CD2 3.65Å; W75-L97 HydrophobicContact CE3-CD1 3.88Å; W75-L97 HydrophobicContact CE3-CD2 3.78Å; W75-L97 HydrophobicContact CG-CD2 3.54Å; W75-L97 HydrophobicContact CZ3-CD1 4.09Å; I95-L97 HydrophobicContact CB-CG 4.31Å; I95-L97 HydrophobicContact CG2-CD1 4.41Å; I95-L97 HydrophobicContact CG2-CD2 3.74Å; I95-L97 HydrophobicContact CG2-CG 3.83Å; L97-L132 HydrophobicContact CD1-CD2 4.04Å; L97-I134 HydrophobicContact CB-CD1 3.37Å; L97-I134 HydrophobicContact CD1-CD1 4.12Å; L97-I134 HydrophobicContact CG-CD1 4.38Å |
| 98 | P | 95 | Very high | 95.8 | Very high | 58 Ų | 58 | 55.9 Ų | 55.9 | 38% | 0.377 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 159.4 | 176 | 29.8 | -34.8 | 0 | 0 | 0 | 111.7 | G54 H102 | G54-P98 WeakPolarHBondContact O-CA 3.36Å; P98-H102 PolarHBondContact O-NE2 3.47Å |
| 99 | E | 95 | Very high | 96.2 | Very high | 106 Ų | 106 | 51.2 Ų | 51.2 | 50% | 0.495 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -50.9 | 144.6 | 172.4 | -157.8 | 177.1 | 149.8 | 0 | 0 | 112 | Y56 I134 | Y56-E99 HydrophobicContact CE2-CB 3.99Å; Y56-E99 HydrophobicContact CE2-CG 4.47Å; E99-I134 WeakPolarHBondContact CG-O 3.35Å |
| 100 | G | 95.7 | Very high | 96.5 | Very high | 28 Ų | 28 | 45.1 Ų | 45.1 | 29% | 0.289 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 118.9 | -165.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | H102 I134 | G100-H102 PolarHBondContact O-CD2 2.85Å; G100-I134 PolarHBondContact N-O 3.36Å; G100-I134 PolarHBondContact O-N 2.98Å |
| 101 | R | 97.5 | Very high | 96.6 | Very high | 141 Ų | 141 | 49.1 Ų | 49.1 | 53% | 0.532 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 127.8 | -175.1 | -178.7 | 179.8 | 168.3 | 117.8 | -6.8 | 111 | T121 V131 L132 V133 | R101-T121 VanDerWaalsContact NH2-CB 3.35Å; R101-T121 PolarHBondContact NH2-OG1 2.87Å; R101-V131 HydrophobicContact CG-CG1 3.93Å; R101-L132 WeakPolarHBondContact CA-O 3.44Å; R101-V133 HydrophobicContact CG-CG2 4.47Å |
| 102 | H | 97.5 | Very high | 96.5 | Very high | 15 Ų | 15 | 54.2 Ų | 54.2 | 7% | 0.069 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 139.5 | 175.1 | -61.8 | -82.2 | 0 | 0 | 0 | 110.6 | W75 P98 G100 L132 | W75-H102 HydrophobicContact CE3-CB 4.41Å; P98-H102 PolarHBondContact O-NE2 3.47Å; G100-H102 PolarHBondContact O-CD2 2.85Å; H102-L132 PolarHBondContact N-O 3.5Å; H102-L132 PolarHBondContact O-N 3.31Å |
| 103 | E | 97.6 | Very high | 96.5 | Very high | 51 Ų | 51 | 53.8 Ų | 53.8 | 24% | 0.238 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 139.2 | 171.4 | -68.3 | -177.7 | -158.1 | 0 | 0 | 109.5 | G73 S74 W78 T121 N129 N130 | G73-E103 CarbonylContact C-O 3.52Å; G73-E103 WeakPolarHBondContact CA-O 3.17Å; S74-E103 PolarHBondContact N-O 3.05Å; S74-E103 PolarHBondContact OG-N 2.99Å; S74-E103 PolarHBondContact OG-O 3.07Å; W78-E103 HydrophobicContact CZ2-CB 3.95Å; E103-T121 HydrophobicContact CG-CG2 4.02Å; E103-N129 HydrophobicContact CB-CB 4.21Å; E103-N129 PolarHBondContact OE2-ND2 2.92Å; E103-N130 WeakPolarHBondContact CA-O 3.46Å |
| 104 | F | 97.7 | Very high | 96.5 | Very high | 11 Ų | 11 | 53.4 Ų | 53.4 | 5% | 0.048 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 163.4 | 179.7 | 72.4 | -78.8 | 0 | 0 | 0 | 111.7 | V60 V71 G72 W75 F106 L118 N130 L132 | V60-F104 HydrophobicContact CG1-CD2 4.39Å; V60-F104 HydrophobicContact CG1-CE2 4.08Å; V71-F104 HydrophobicContact CG2-CB 4.27Å; V71-F104 HydrophobicContact CG2-CD2 3.94Å; G72-F104 CarbonylContact O-C 3.59Å; G72-F104 VanDerWaalsContact O-CA 3.25Å; G72-F104 WeakPolarHBondContact O-CA 3.48Å; G72-F104 WeakPolarHBondContact O-CB 3.41Å; W75-F104 HydrophobicContact CH2-CB 3.74Å; W75-F104 HydrophobicContact CZ3-CB 3.72Å; F104-F106 HydrophobicContact CD2-CE2 4.26Å; F104-F106 HydrophobicContact CD2-CZ 4.34Å; F104-F106 HydrophobicContact CE2-CD2 4.37Å; F104-F106 HydrophobicContact CE2-CE1 4.45Å; F104-F106 AromaticContact CE2-CE2 3.56Å; F104-F106 HydrophobicContact CE2-CE2 3.56Å; F104-F106 AromaticContact CE2-CZ 3.62Å; F104-F106 HydrophobicContact CE2-CZ 3.62Å; F104-L118 HydrophobicContact CE2-CD1 4.4Å; F104-L118 HydrophobicContact CZ-CD1 3.78Å; F104-N130 HydrophobicContact CD1-CB 3.94Å; F104-N130 WeakPolarHBondContact CD1-O 3.44Å; F104-N130 HydrophobicContact CD2-CB 4.24Å; F104-N130 HydrophobicContact CE1-CB 3.46Å; F104-N130 VanDerWaalsContact CE1-CB 3.46Å; F104-N130 HydrophobicContact CE2-CB 3.81Å; F104-N130 HydrophobicContact CG-CB 4.31Å; F104-N130 HydrophobicContact CZ-CB 3.4Å; F104-N130 VanDerWaalsContact CZ-CB 3.4Å; F104-N130 PolarHBondContact N-O 3.42Å; F104-N130 PolarHBondContact O-N 2.97Å; F104-L132 HydrophobicContact CD1-CB 4.27Å; F104-L132 HydrophobicContact CE1-CB 4.02Å |
| 105 | K | 97.3 | Very high | 96.4 | Very high | 21 Ų | 21 | 49 Ų | 49 | 9% | 0.091 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 147.5 | 178.2 | -158.4 | 164.3 | -173.2 | 165.2 | 0 | 109.9 | G72 W78 W112 T113 S127 E128 | G72-K105 PolarHBondContact N-O 2.85Å; G72-K105 PolarHBondContact O-N 2.91Å; W78-K105 HydrophobicContact CH2-CB 4.09Å; W78-K105 HydrophobicContact CZ3-CB 3.78Å; K105-W112 HydrophobicContact CB-CE3 3.86Å; K105-W112 HydrophobicContact CB-CZ3 4.04Å; K105-W112 HydrophobicContact CD-CB 4.17Å; K105-W112 HydrophobicContact CD-CE3 4.22Å; K105-W112 HydrophobicContact CG-CE3 3.89Å; K105-T113 WeakPolarHBondContact CG-O 3.21Å; K105-S127 PolarHBondContact NZ-OG 2.63Å; K105-E128 VanDerWaalsContact CE-O 3.22Å; K105-E128 WeakPolarHBondContact CE-O 3.2Å; K105-E128 PolarHBondContact NZ-O 2.94Å |
| 106 | F | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 141.9 | 176.3 | -61.7 | -82.8 | 0 | 0 | 0 | 110.2 | V60 K61 W62 V69 F70 V71 M84 F104 V108 W112 T113 D115 | V60-F106 HydrophobicContact CG1-CE1 3.73Å; V60-F106 HydrophobicContact CG1-CZ 3.83Å; K61-F106 WeakPolarHBondContact O-CZ 3.3Å; W62-F106 HydrophobicContact CB-CD1 4.12Å; W62-F106 HydrophobicContact CB-CE1 3.87Å; W62-F106 HydrophobicContact CB-CZ 4.35Å; W62-F106 HydrophobicContact CD2-CD1 4.5Å; W62-F106 HydrophobicContact CD2-CG 4.38Å; W62-F106 HydrophobicContact CE3-CB 4.09Å; W62-F106 HydrophobicContact CE3-CD1 4.04Å; W62-F106 AromaticContact CE3-CD2 3.5Å; W62-F106 HydrophobicContact CE3-CD2 3.5Å; W62-F106 VanDerWaalsContact CE3-CD2 3.5Å; W62-F106 HydrophobicContact CE3-CE1 4.32Å; W62-F106 AromaticContact CE3-CE2 3.8Å; W62-F106 HydrophobicContact CE3-CE2 3.8Å; W62-F106 AromaticContact CE3-CG 3.61Å; W62-F106 HydrophobicContact CE3-CG 3.61Å; W62-F106 HydrophobicContact CE3-CZ 4.19Å; W62-F106 HydrophobicContact CZ3-CB 4.28Å; W62-F106 AromaticContact CZ3-CD2 3.77Å; W62-F106 HydrophobicContact CZ3-CD2 3.77Å; W62-F106 HydrophobicContact CZ3-CE2 4.31Å; W62-F106 HydrophobicContact CZ3-CG 4.11Å; V69-F106 HydrophobicContact CG1-CD1 4.13Å; F70-F106 CarbonylContact O-C 3.56Å; F70-F106 WeakPolarHBondContact O-CA 3.34Å; V71-F106 HydrophobicContact CB-CD1 4.46Å; M84-F106 HydrophobicContact CE-CE1 3.94Å; M84-F106 HydrophobicContact SD-CD1 3.79Å; M84-F106 HydrophobicContact SD-CE1 3.77Å; F104-F106 HydrophobicContact CD2-CE2 4.26Å; F104-F106 HydrophobicContact CD2-CZ 4.34Å; F104-F106 HydrophobicContact CE2-CD2 4.37Å; F104-F106 HydrophobicContact CE2-CE1 4.45Å; F104-F106 AromaticContact CE2-CE2 3.56Å; F104-F106 HydrophobicContact CE2-CE2 3.56Å; F104-F106 AromaticContact CE2-CZ 3.62Å; F104-F106 HydrophobicContact CE2-CZ 3.62Å; F106-V108 HydrophobicContact CB-CG2 3.9Å; F106-W112 CarbonylContact O-C 3.55Å; F106-W112 WeakPolarHBondContact O-CA 3.41Å; F106-T113 HydrophobicContact CB-CG2 4.04Å; F106-T113 PolarHBondContact N-O 3.4Å; F106-T113 PolarHBondContact O-N 3.23Å; F106-D115 HydrophobicContact CE2-CB 4.01Å |
| 107 | Y | 97.5 | Very high | 96.4 | Very high | 60 Ų | 60 | 55.2 Ų | 55.2 | 24% | 0.235 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 99.3 | 169.4 | -173.7 | -100.1 | 0 | 0 | 0 | 107.9 | F70 K81 G110 N111 W112 | F70-Y107 AromaticContact CD2-CD1 3.97Å; F70-Y107 HydrophobicContact CD2-CD1 3.97Å; F70-Y107 PolarHBondContact N-O 3.27Å; F70-Y107 PolarHBondContact O-N 3.25Å; K81-Y107 HydrophobicContact CD-CD1 3.94Å; K81-Y107 HydrophobicContact CD-CE1 4.39Å; K81-Y107 HydrophobicContact CD-CG 3.99Å; K81-Y107 VanDerWaalsContact NZ-CD2 3.34Å; Y107-G110 VanDerWaalsContact CE2-C 3.47Å; Y107-G110 WeakPolarHBondContact CE2-O 3.21Å; Y107-G110 VanDerWaalsContact CZ-C 3.43Å; Y107-G110 VanDerWaalsContact CZ-CA 3.45Å; Y107-G110 WeakPolarHBondContact OH-CA 3.4Å; Y107-G110 PolarHBondContact OH-O 3.03Å; Y107-N111 CarbonylContact C-O 3.58Å; Y107-N111 WeakPolarHBondContact CA-O 3.45Å; Y107-W112 AromaticContact CD2-CD1 3.97Å; Y107-W112 AromaticContact CD2-CD2 3.74Å; Y107-W112 HydrophobicContact CD2-CD2 3.74Å; Y107-W112 AromaticContact CD2-CE2 3.72Å; Y107-W112 HydrophobicContact CD2-CE3 4.27Å; Y107-W112 AromaticContact CD2-CG 3.93Å; Y107-W112 HydrophobicContact CD2-CG 3.93Å; Y107-W112 HydrophobicContact CD2-CZ2 4.29Å; Y107-W112 AromaticContact CD2-NE1 3.84Å; Y107-W112 HydrophobicContact CG-CD2 4.49Å |
| 108 | V | 97.5 | Very high | 96.4 | Very high | 18 Ų | 18 | 58.2 Ų | 58.2 | 11% | 0.109 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 119 | -170.4 | 179.9 | 0 | 0 | 0 | 0 | 108.6 | W62 A66 V69 F106 G110 N111 T113 | W62-V108 HydrophobicContact CD2-CG2 4.14Å; W62-V108 HydrophobicContact CH2-CG2 4.24Å; W62-V108 HydrophobicContact CZ2-CG1 4.41Å; W62-V108 HydrophobicContact CZ2-CG2 3.82Å; A66-V108 HydrophobicContact CB-CG1 3.53Å; V69-V108 HydrophobicContact CG1-CG2 3.99Å; V69-V108 HydrophobicContact CG2-CG1 4.4Å; V69-V108 HydrophobicContact CG2-CG2 4.27Å; F106-V108 HydrophobicContact CB-CG2 3.9Å; V108-G110 PolarHBondContact O-N 3.2Å; V108-N111 PolarHBondContact N-O 3.03Å; V108-N111 PolarHBondContact O-N 2.92Å; V108-T113 HydrophobicContact CB-CG2 3.92Å; V108-T113 HydrophobicContact CG2-CG2 3.46Å; V108-T113 VanDerWaalsContact CG2-CG2 3.46Å |
| 109 | D | 96.4 | Very high | 96.4 | Very high | 77 Ų | 77 | 59.6 Ų | 59.6 | 41% | 0.412 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.8 | 36.6 | 175.9 | -66.5 | -22.5 | 0 | 0 | 0 | 114.8 | A66 K67 Q68 | A66-D109 WeakPolarHBondContact CA-OD2 3.41Å; K67-D109 WeakPolarHBondContact CA-OD1 3.45Å; K67-D109 VanDerWaalsContact CB-OD1 3.28Å; K67-D109 WeakPolarHBondContact CB-OD1 3.47Å; K67-D109 VanDerWaalsContact N-CG 3.34Å; K67-D109 PolarHBondContact N-OD1 3.12Å; K67-D109 PolarHBondContact N-OD2 3.31Å; Q68-D109 PolarHBondContact N-OD1 3.3Å; Q68-D109 PolarHBondContact O-N 2.69Å |
| 110 | G | 95.7 | Very high | 96.5 | Very high | 38 Ų | 38 | 58.5 Ų | 58.5 | 39% | 0.392 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.4 | -6.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y107 V108 | Y107-G110 VanDerWaalsContact CE2-C 3.47Å; Y107-G110 WeakPolarHBondContact CE2-O 3.21Å; Y107-G110 VanDerWaalsContact CZ-C 3.43Å; Y107-G110 VanDerWaalsContact CZ-CA 3.45Å; Y107-G110 WeakPolarHBondContact OH-CA 3.4Å; Y107-G110 PolarHBondContact OH-O 3.03Å; V108-G110 PolarHBondContact O-N 3.2Å |
| 111 | N | 96.4 | Very high | 96.6 | Very high | 116 Ų | 116 | 59 Ų | 59 | 62% | 0.62 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 139.2 | -174.6 | -62.5 | -56.3 | 0 | 0 | 0 | 112 | Y107 V108 | Y107-N111 CarbonylContact C-O 3.58Å; Y107-N111 WeakPolarHBondContact CA-O 3.45Å; V108-N111 PolarHBondContact N-O 3.03Å; V108-N111 PolarHBondContact O-N 2.92Å |
| 112 | W | 95.7 | Very high | 96.6 | Very high | 116 Ų | 116 | 58.4 Ų | 58.4 | 44% | 0.439 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 128 | 171.4 | -73.5 | 109.2 | 0 | 0 | 0 | 110.5 | K81 K105 F106 Y107 | K81-W112 HydrophobicContact CD-CH2 4.49Å; K81-W112 HydrophobicContact CD-CZ2 4.39Å; K81-W112 VanDerWaalsContact CE-CZ2 3.48Å; K81-W112 HydrophobicContact CG-CH2 4.2Å; K81-W112 HydrophobicContact CG-CZ2 4.45Å; K105-W112 HydrophobicContact CB-CE3 3.86Å; K105-W112 HydrophobicContact CB-CZ3 4.04Å; K105-W112 HydrophobicContact CD-CB 4.17Å; K105-W112 HydrophobicContact CD-CE3 4.22Å; K105-W112 HydrophobicContact CG-CE3 3.89Å; F106-W112 CarbonylContact O-C 3.55Å; F106-W112 WeakPolarHBondContact O-CA 3.41Å; Y107-W112 AromaticContact CD2-CD1 3.97Å; Y107-W112 AromaticContact CD2-CD2 3.74Å; Y107-W112 HydrophobicContact CD2-CD2 3.74Å; Y107-W112 AromaticContact CD2-CE2 3.72Å; Y107-W112 HydrophobicContact CD2-CE3 4.27Å; Y107-W112 AromaticContact CD2-CG 3.93Å; Y107-W112 HydrophobicContact CD2-CG 3.93Å; Y107-W112 HydrophobicContact CD2-CZ2 4.29Å; Y107-W112 AromaticContact CD2-NE1 3.84Å; Y107-W112 HydrophobicContact CG-CD2 4.49Å |
| 113 | T | 96.5 | Very high | 96.3 | Very high | 47 Ų | 47 | 58.6 Ų | 58.6 | 29% | 0.288 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 160.5 | -177.7 | -170.3 | 0 | 0 | 0 | 0 | 111.4 | W62 K105 F106 V108 | W62-T113 HydrophobicContact CH2-CG2 3.51Å; W62-T113 HydrophobicContact CZ2-CG2 4.16Å; W62-T113 HydrophobicContact CZ3-CG2 3.89Å; K105-T113 WeakPolarHBondContact CG-O 3.21Å; F106-T113 HydrophobicContact CB-CG2 4.04Å; F106-T113 PolarHBondContact N-O 3.4Å; F106-T113 PolarHBondContact O-N 3.23Å; V108-T113 HydrophobicContact CB-CG2 3.92Å; V108-T113 HydrophobicContact CG2-CG2 3.46Å; V108-T113 VanDerWaalsContact CG2-CG2 3.46Å |
| 114 | C | 96.2 | Very high | 95.9 | Very high | 18 Ų | 18 | 62.8 Ų | 62.8 | 12% | 0.122 | 35% | 0.351 | C | S | . | . | trans | -117.3 | 146.8 | 175.3 | -70 | 0 | 0 | 0 | 0 | 109.4 | S116 K120 E128 N130 | C114-S116 PolarHBondContact O-N 3.4Å; C114-K120 HydrophobicContact CB-CD 4.45Å; C114-E128 PolarHBondContact SG-O 3.35Å; C114-N130 WeakPolarHBondContact CA-OD1 3.26Å; C114-N130 VanDerWaalsContact CB-OD1 3.32Å; C114-N130 WeakPolarHBondContact CB-OD1 3.26Å | ||
| 115 | D | 95.6 | Very high | 95.6 | Very high | 15 Ų | 15 | 69.9 Ų | 69.9 | 8% | 0.08 | 39% | 0.389 | C | S | . | . | trans | -69.2 | 128 | 166 | -169.2 | -24.7 | 0 | 0 | 0 | 108.8 | W62 F106 N117 L118 K120 N130 | W62-D115 HydrophobicContact CZ3-CB 4.34Å; F106-D115 HydrophobicContact CE2-CB 4.01Å; D115-N117 VanDerWaalsContact C-N 3.28Å; D115-N117 WeakPolarHBondContact OD1-CB 3.49Å; D115-N117 PolarHBondContact OD1-N 3.1Å; D115-N117 PolarHBondContact OD1-ND2 3.22Å; D115-L118 HydrophobicContact CB-CB 4.29Å; D115-L118 HydrophobicContact CB-CD1 3.84Å; D115-L118 HydrophobicContact CB-CG 3.91Å; D115-K120 VanDerWaalsContact O-CE 3.28Å; D115-K120 WeakPolarHBondContact O-CE 3.42Å; D115-N130 PolarHBondContact N-OD1 2.91Å; D115-N130 PolarHBondContact O-ND2 3.1Å | ||
| 116 | S | 94.5 | Very high | 95.3 | Very high | 92 Ų | 92 | 72.6 Ų | 72.6 | 64% | 0.643 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -22 | 178.8 | 53.3 | 0 | 0 | 0 | 0 | 113.4 | C114 | C114-S116 PolarHBondContact O-N 3.4Š|
| 117 | N | 94.6 | Very high | 95 | Very high | 129 Ų | 129 | 74.9 Ų | 74.9 | 69% | 0.69 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -10.6 | -176.9 | -55.3 | -53.4 | 0 | 0 | 0 | 112.9 | D115 | D115-N117 VanDerWaalsContact C-N 3.28Å; D115-N117 WeakPolarHBondContact OD1-CB 3.49Å; D115-N117 PolarHBondContact OD1-N 3.1Å; D115-N117 PolarHBondContact OD1-ND2 3.22Å |
| 118 | L | 95.8 | Very high | 95 | Very high | 65 Ų | 65 | 76 Ų | 76 | 34% | 0.34 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -99.5 | 150.4 | 179 | -59.5 | -179.5 | 0 | 0 | 0 | 110.4 | F104 D115 K120 | F104-L118 HydrophobicContact CE2-CD1 4.4Å; F104-L118 HydrophobicContact CZ-CD1 3.78Å; D115-L118 HydrophobicContact CB-CB 4.29Å; D115-L118 HydrophobicContact CB-CD1 3.84Å; D115-L118 HydrophobicContact CB-CG 3.91Å; L118-K120 WeakPolarHBondContact O-CG 3.17Å |
| 119 | P | 96.7 | Very high | 95 | Very high | 88 Ų | 88 | 75.5 Ų | 75.5 | 57% | 0.571 | 44% | 0.442 | S | S | * | . | trans | -52 | 146.2 | 173.7 | -26.5 | 35.5 | 0 | 0 | 0 | 112 | N130 V131 | P119-N130 CarbonylContact O-C 3.57Å; P119-N130 VanDerWaalsContact O-CA 3.29Å; P119-N130 WeakPolarHBondContact O-CA 3.47Å; P119-N130 PolarHBondContact O-ND2 2.98Å; P119-V131 HydrophobicContact CB-CB 4.36Å; P119-V131 PolarHBondContact O-N 2.96Å | ||
| 120 | K | 97.1 | Very high | 95.1 | Very high | 83 Ų | 83 | 71.9 Ų | 71.9 | 36% | 0.361 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 162.4 | -177.1 | -60.9 | -172.8 | -175.3 | 178 | 0 | 112.6 | C114 D115 L118 E128 N129 | C114-K120 HydrophobicContact CB-CD 4.45Å; D115-K120 VanDerWaalsContact O-CE 3.28Å; D115-K120 WeakPolarHBondContact O-CE 3.42Å; L118-K120 WeakPolarHBondContact O-CG 3.17Å; K120-E128 HydrophobicContact CD-CB 4.35Å; K120-E128 WeakPolarHBondContact CD-OE2 3.19Å; K120-E128 IonicContact NZ-OE2 2.85Å; K120-E128 PolarHBondContact NZ-OE2 3.32Å; K120-N129 CarbonylContact C-O 3.44Å; K120-N129 WeakPolarHBondContact CA-O 3.47Å |
| 121 | T | 97.3 | Very high | 95.2 | Very high | 37 Ų | 37 | 70.7 Ų | 70.7 | 23% | 0.227 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 148.5 | 172.2 | -167.7 | 0 | 0 | 0 | 0 | 110 | R101 E103 E128 N129 V131 | R101-T121 VanDerWaalsContact NH2-CB 3.35Å; R101-T121 PolarHBondContact NH2-OG1 2.87Å; E103-T121 HydrophobicContact CG-CG2 4.02Å; T121-E128 CarbonylContact O-C 3.54Å; T121-E128 WeakPolarHBondContact O-CA 3.35Å; T121-N129 HydrophobicContact CG2-CB 4.29Å; T121-N129 PolarHBondContact N-O 3.49Å; T121-N129 PolarHBondContact O-N 3Å; T121-V131 HydrophobicContact CG2-CG2 3.51Å |
| 122 | D | 96.5 | Very high | 95.2 | Very high | 129 Ų | 129 | 67.3 Ų | 67.3 | 69% | 0.69 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 141.1 | 170.4 | -65.8 | -38.2 | 0 | 0 | 0 | 110.2 | ||
| 123 | N | 91.5 | Very high | 95.2 | Very high | 19 Ų | 19 | 66 Ų | 66 | 10% | 0.102 | 40% | 0.395 | C | S | . | . | trans | -107.4 | 159.3 | 175 | 73.3 | 33.1 | 0 | 0 | 0 | 111.7 | L125 G126 S127 N129 | N123-L125 PolarHBondContact O-N 2.7Å; N123-L125 WeakPolarHBondContact OD1-CB 3.45Å; N123-L125 PolarHBondContact OD1-N 3.12Å; N123-L125 VanDerWaalsContact OD1-N 3.1Å; N123-G126 PolarHBondContact O-N 2.91Å; N123-G126 PolarHBondContact OD1-N 3.45Å; N123-S127 PolarHBondContact N-O 3.13Å; N123-S127 PolarHBondContact ND2-O 2.94Å; N123-S127 PolarHBondContact ND2-OG 3.07Å; N123-S127 PolarHBondContact OD1-N 2.95Å; N123-S127 PolarHBondContact OD1-O 3.11Å; N123-S127 PolarHBondContact OD1-OG 2.84Å; N123-S127 VanDerWaalsContact OD1-OG 3.11Å; N123-N129 PolarHBondContact ND2-OD1 2.94Å | ||
| 124 | P | 90.6 | Very high | 95.1 | Very high | 139 Ų | 139 | 64.1 Ų | 64.1 | 90% | 0.903 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -11.2 | -177.2 | -25.2 | 35.5 | 0 | 0 | 0 | 115.5 | ||
| 125 | L | 90.8 | Very high | 94.9 | Very high | 161 Ų | 161 | 66.4 Ų | 66.4 | 84% | 0.843 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | 4.7 | 179.5 | -59.1 | 174.7 | 0 | 0 | 0 | 112.5 | N123 | N123-L125 PolarHBondContact O-N 2.7Å; N123-L125 WeakPolarHBondContact OD1-CB 3.45Å; N123-L125 PolarHBondContact OD1-N 3.12Å; N123-L125 VanDerWaalsContact OD1-N 3.1Å |
| 126 | G | 90.5 | Very high | 94.6 | Very high | 77 Ų | 77 | 72.6 Ų | 72.6 | 79% | 0.794 | 42% | 0.416 | S | S | * | . | S | Bend | trans | 79.5 | 20.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | N123 | N123-G126 PolarHBondContact O-N 2.91Å; N123-G126 PolarHBondContact OD1-N 3.45Å |
| 127 | S | 92.7 | Very high | 94.3 | Very high | 48 Ų | 48 | 69.5 Ų | 69.5 | 34% | 0.336 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -124.3 | 179.2 | 171.3 | 64.2 | 0 | 0 | 0 | 0 | 110.8 | K105 N123 | K105-S127 PolarHBondContact NZ-OG 2.63Å; N123-S127 PolarHBondContact N-O 3.13Å; N123-S127 PolarHBondContact ND2-O 2.94Å; N123-S127 PolarHBondContact ND2-OG 3.07Å; N123-S127 PolarHBondContact OD1-N 2.95Å; N123-S127 PolarHBondContact OD1-O 3.11Å; N123-S127 PolarHBondContact OD1-OG 2.84Å; N123-S127 VanDerWaalsContact OD1-OG 3.11Å |
| 128 | E | 96.6 | Very high | 94 | Very high | 83 Ų | 83 | 66.4 Ų | 66.4 | 39% | 0.388 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 155.5 | 179.2 | -58.4 | 179.6 | 135.2 | 0 | 0 | 112.2 | K105 C114 K120 T121 | K105-E128 VanDerWaalsContact CE-O 3.22Å; K105-E128 WeakPolarHBondContact CE-O 3.2Å; K105-E128 PolarHBondContact NZ-O 2.94Å; C114-E128 PolarHBondContact SG-O 3.35Å; K120-E128 HydrophobicContact CD-CB 4.35Å; K120-E128 WeakPolarHBondContact CD-OE2 3.19Å; K120-E128 IonicContact NZ-OE2 2.85Å; K120-E128 PolarHBondContact NZ-OE2 3.32Å; T121-E128 CarbonylContact O-C 3.54Å; T121-E128 WeakPolarHBondContact O-CA 3.35Å |
| 129 | N | 97.7 | Very high | 93.7 | Very high | 9 Ų | 9 | 67 Ų | 67 | 5% | 0.048 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 151.8 | 163.2 | -65.8 | -19.7 | 0 | 0 | 0 | 109.3 | W78 E103 K120 T121 N123 | W78-N129 HydrophobicContact CH2-CB 4.45Å; W78-N129 WeakPolarHBondContact CZ2-ND2 3.29Å; E103-N129 HydrophobicContact CB-CB 4.21Å; E103-N129 PolarHBondContact OE2-ND2 2.92Å; K120-N129 CarbonylContact C-O 3.44Å; K120-N129 WeakPolarHBondContact CA-O 3.47Å; T121-N129 HydrophobicContact CG2-CB 4.29Å; T121-N129 PolarHBondContact N-O 3.49Å; T121-N129 PolarHBondContact O-N 3Å; N123-N129 PolarHBondContact ND2-OD1 2.94Å |
| 130 | N | 97.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 151.9 | 164.4 | -71.5 | 120 | 0 | 0 | 0 | 110.1 | E103 F104 C114 D115 P119 | E103-N130 WeakPolarHBondContact CA-O 3.46Å; F104-N130 HydrophobicContact CD1-CB 3.94Å; F104-N130 WeakPolarHBondContact CD1-O 3.44Å; F104-N130 HydrophobicContact CD2-CB 4.24Å; F104-N130 HydrophobicContact CE1-CB 3.46Å; F104-N130 VanDerWaalsContact CE1-CB 3.46Å; F104-N130 HydrophobicContact CE2-CB 3.81Å; F104-N130 HydrophobicContact CG-CB 4.31Å; F104-N130 HydrophobicContact CZ-CB 3.4Å; F104-N130 VanDerWaalsContact CZ-CB 3.4Å; F104-N130 PolarHBondContact N-O 3.42Å; F104-N130 PolarHBondContact O-N 2.97Å; C114-N130 WeakPolarHBondContact CA-OD1 3.26Å; C114-N130 VanDerWaalsContact CB-OD1 3.32Å; C114-N130 WeakPolarHBondContact CB-OD1 3.26Å; D115-N130 PolarHBondContact N-OD1 2.91Å; D115-N130 PolarHBondContact O-ND2 3.1Å; P119-N130 CarbonylContact O-C 3.57Å; P119-N130 VanDerWaalsContact O-CA 3.29Å; P119-N130 WeakPolarHBondContact O-CA 3.47Å; P119-N130 PolarHBondContact O-ND2 2.98Å |
| 131 | V | 97.8 | Very high | 93 | Very high | 13 Ų | 13 | 67.5 Ų | 67.5 | 8% | 0.079 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 133 | -178.7 | -179.2 | 0 | 0 | 0 | 0 | 109.5 | R101 P119 T121 V133 | R101-V131 HydrophobicContact CG-CG1 3.93Å; P119-V131 HydrophobicContact CB-CB 4.36Å; P119-V131 PolarHBondContact O-N 2.96Å; T121-V131 HydrophobicContact CG2-CG2 3.51Å; V131-V133 HydrophobicContact CG1-CG2 4.3Å |
| 132 | L | 95.9 | Very high | 92.7 | Very high | 45 Ų | 45 | 71.2 Ų | 71.2 | 24% | 0.236 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 136.1 | 169.1 | 175.3 | 76.1 | 0 | 0 | 0 | 108.2 | V58 L97 R101 H102 F104 I134 | V58-L132 HydrophobicContact CB-CD2 4.26Å; V58-L132 HydrophobicContact CG1-CD1 4.14Å; V58-L132 HydrophobicContact CG1-CD2 3.44Å; V58-L132 VanDerWaalsContact CG1-CD2 3.44Å; V58-L132 HydrophobicContact CG1-CG 4.43Å; V58-L132 HydrophobicContact CG2-CD2 3.99Å; L97-L132 HydrophobicContact CD1-CD2 4.04Å; R101-L132 WeakPolarHBondContact CA-O 3.44Å; H102-L132 PolarHBondContact N-O 3.5Å; H102-L132 PolarHBondContact O-N 3.31Å; F104-L132 HydrophobicContact CD1-CB 4.27Å; F104-L132 HydrophobicContact CE1-CB 4.02Å; L132-I134 HydrophobicContact CD2-CD1 3.94Å; L132-I134 HydrophobicContact CD2-CG1 3.8Å; L132-I134 HydrophobicContact CG-CG1 4.03Å |
| 133 | V | 96.2 | Very high | 92.4 | Very high | 90 Ų | 90 | 68.7 Ų | 68.7 | 55% | 0.545 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 123 | 169.8 | -178.2 | 0 | 0 | 0 | 0 | 107.2 | R101 V131 | R101-V133 HydrophobicContact CG-CG2 4.47Å; V131-V133 HydrophobicContact CG1-CG2 4.3Å |
| 134 | I | 94.9 | Very high | 92.3 | Very high | 6 Ų | 6 | 68.7 Ų | 68.7 | 3% | 0.031 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 110.5 | 178.5 | -59.2 | 174 | 0 | 0 | 0 | 106.2 | Y56 V58 L97 E99 G100 L132 Y139 | Y56-I134 HydrophobicContact CD2-CG2 3.75Å; Y56-I134 HydrophobicContact CE2-CG2 4.49Å; Y56-I134 HydrophobicContact CG-CG2 4.17Å; V58-I134 HydrophobicContact CG2-CD1 3.43Å; V58-I134 VanDerWaalsContact CG2-CD1 3.43Å; V58-I134 HydrophobicContact CG2-CG1 3.95Å; L97-I134 HydrophobicContact CB-CD1 3.37Å; L97-I134 HydrophobicContact CD1-CD1 4.12Å; L97-I134 HydrophobicContact CG-CD1 4.38Å; E99-I134 WeakPolarHBondContact CG-O 3.35Å; G100-I134 PolarHBondContact N-O 3.36Å; G100-I134 PolarHBondContact O-N 2.98Å; L132-I134 HydrophobicContact CD2-CD1 3.94Å; L132-I134 HydrophobicContact CD2-CG1 3.8Å; L132-I134 HydrophobicContact CG-CG1 4.03Å; I134-Y139 HydrophobicContact CG2-CE2 3.72Å |
| 135 | D | 92 | Very high | 92.3 | Very high | 67 Ų | 67 | 65.7 Ų | 65.7 | 36% | 0.358 | 36% | 0.357 | S | S | . | . | trans | -101 | 139.7 | 169.4 | -166.3 | -39.7 | 0 | 0 | 0 | 108.5 | A137 D138 Y139 | D135-A137 PolarHBondContact O-N 3.28Å; D135-A137 WeakPolarHBondContact OD1-CB 3.48Å; D135-A137 PolarHBondContact OD1-N 3.38Å; D135-D138 WeakPolarHBondContact O-CB 3.22Å; D135-D138 PolarHBondContact O-N 2.77Å; D135-D138 VanDerWaalsContact O-N 3.11Å; D135-Y139 WeakPolarHBondContact O-CD2 3.43Å | ||
| 136 | R | 89.1 | Confident | 92.2 | Very high | 144 Ų | 144 | 64.5 Ų | 64.5 | 54% | 0.543 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -55.7 | -35.4 | 172.7 | 177.3 | 170.8 | -176.7 | 176.2 | 1.5 | 112.4 | Y56 D138 Y139 | Y56-R136 HydrophobicContact CE1-CG 4.48Å; Y56-R136 WeakPolarHBondContact OH-CB 3.35Å; Y56-R136 WeakPolarHBondContact OH-CD 3.24Å; Y56-R136 VanDerWaalsContact OH-CG 3.26Å; Y56-R136 WeakPolarHBondContact OH-CG 3.28Å; R136-D138 PolarHBondContact O-N 3.09Å; R136-Y139 PolarHBondContact O-N 3.1Å |
| 137 | A | 87.6 | Confident | 92 | Very high | 27 Ų | 27 | 64.9 Ų | 64.9 | 22% | 0.223 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -60.6 | -27.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | D135 Y139 E140 D143 A144 | D135-A137 PolarHBondContact O-N 3.28Å; D135-A137 WeakPolarHBondContact OD1-CB 3.48Å; D135-A137 PolarHBondContact OD1-N 3.38Å; A137-Y139 PolarHBondContact O-N 2.79Å; A137-E140 PolarHBondContact O-N 3.11Å; A137-D143 HydrophobicContact CB-CB 4.21Å; A137-A144 PolarHBondContact O-N 3.21Å |
| 138 | D | 88.4 | Confident | 91.8 | Very high | 65 Ų | 65 | 67.1 Ų | 67.1 | 35% | 0.348 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -71 | -12.8 | 178.6 | -59 | -28.2 | 0 | 0 | 0 | 112.4 | D135 R136 K147 | D135-D138 WeakPolarHBondContact O-CB 3.22Å; D135-D138 PolarHBondContact O-N 2.77Å; D135-D138 VanDerWaalsContact O-N 3.11Å; R136-D138 PolarHBondContact O-N 3.09Å; D138-K147 IonicContact OD1-NZ 3.45Å; D138-K147 PolarHBondContact OD1-NZ 3.26Å; D138-K147 IonicContact OD2-NZ 3.7Å |
| 139 | Y | 89.8 | Confident | 91.4 | Very high | 78 Ų | 78 | 70.1 Ų | 70.1 | 31% | 0.306 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -105.4 | -10.4 | 178.9 | -67.6 | -88.3 | 0 | 0 | 0 | 113.7 | Y56 P57 V58 I134 D135 R136 A137 | Y56-Y139 VanDerWaalsContact CB-CE2 3.48Å; Y56-Y139 AromaticContact CD1-CD1 3.8Å; Y56-Y139 HydrophobicContact CD1-CD1 3.8Å; Y56-Y139 AromaticContact CD1-CD2 3.37Å; Y56-Y139 HydrophobicContact CD1-CD2 3.37Å; Y56-Y139 HydrophobicContact CD1-CE1 4.25Å; Y56-Y139 AromaticContact CD1-CE2 3.88Å; Y56-Y139 HydrophobicContact CD1-CE2 3.88Å; Y56-Y139 AromaticContact CD1-CG 3.33Å; Y56-Y139 HydrophobicContact CD1-CG 3.33Å; Y56-Y139 AromaticContact CE1-CD2 3.97Å; Y56-Y139 HydrophobicContact CE1-CD2 3.97Å; Y56-Y139 AromaticContact CE1-CG 3.99Å; Y56-Y139 HydrophobicContact CE1-CG 3.99Å; Y56-Y139 HydrophobicContact CG-CD1 4.35Å; Y56-Y139 AromaticContact CG-CD2 3.72Å; Y56-Y139 HydrophobicContact CG-CD2 3.72Å; Y56-Y139 HydrophobicContact CG-CE1 4.34Å; Y56-Y139 AromaticContact CG-CE2 3.73Å; Y56-Y139 HydrophobicContact CG-CE2 3.73Å; Y56-Y139 HydrophobicContact CG-CG 4.05Å; P57-Y139 HydrophobicContact CG-CE1 4.12Å; P57-Y139 VanDerWaalsContact O-CE1 3.26Å; P57-Y139 WeakPolarHBondContact O-CE1 3.38Å; P57-Y139 PolarHBondContact O-OH 2.81Å; V58-Y139 WeakPolarHBondContact CG2-OH 3.18Å; I134-Y139 HydrophobicContact CG2-CE2 3.72Å; D135-Y139 WeakPolarHBondContact O-CD2 3.43Å; R136-Y139 PolarHBondContact O-N 3.1Å; A137-Y139 PolarHBondContact O-N 2.79Å |
| 140 | E | 90.3 | Very high | 90.8 | Very high | 96 Ų | 96 | 73.5 Ų | 73.5 | 45% | 0.449 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -89 | 109.6 | 167.9 | -67.8 | -63.3 | 159 | 0 | 0 | 108.1 | A137 F142 D143 A144 | A137-E140 PolarHBondContact O-N 3.11Å; E140-F142 PolarHBondContact O-N 3.25Å; E140-D143 HydrophobicContact CB-CB 4.02Å; E140-D143 WeakPolarHBondContact CB-OD2 3.32Å; E140-D143 PolarHBondContact O-N 3.22Å; E140-A144 PolarHBondContact O-N 3.28Å |
| 141 | V | 89.1 | Confident | 90.1 | Very high | 84 Ų | 84 | 79 Ų | 79 | 51% | 0.509 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -52.7 | -39.1 | -168.3 | 175.2 | 0 | 0 | 0 | 0 | 113.2 | I37 L145 | I37-V141 HydrophobicContact CD1-CG1 4.38Å; V141-L145 HydrophobicContact CG1-CD1 4.1Å; V141-L145 WeakPolarHBondContact O-CB 3.19Å; V141-L145 WeakPolarHBondContact O-CG 3.4Å; V141-L145 PolarHBondContact O-N 3.12Å; V141-L145 VanDerWaalsContact O-N 3.12Å |
| 142 | F | 90.9 | Very high | 89.2 | Confident | 115 Ų | 115 | 81.4 Ų | 81.4 | 50% | 0.504 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -73.7 | -38.7 | -179.6 | -63.7 | -66.7 | 0 | 0 | 0 | 112.5 | I37 E140 L145 E146 | I37-F142 HydrophobicContact CB-CE1 4.39Å; I37-F142 HydrophobicContact CB-CZ 3.82Å; I37-F142 HydrophobicContact CD1-CE1 4.28Å; I37-F142 HydrophobicContact CD1-CZ 4.26Å; I37-F142 HydrophobicContact CG2-CE2 4.19Å; I37-F142 HydrophobicContact CG2-CZ 3.63Å; E140-F142 PolarHBondContact O-N 3.25Å; F142-L145 PolarHBondContact O-N 3.11Å; F142-E146 WeakPolarHBondContact O-CB 3.42Å; F142-E146 PolarHBondContact O-N 2.92Å |
| 143 | D | 90.2 | Very high | 87.8 | Confident | 77 Ų | 77 | 86.8 Ų | 86.8 | 41% | 0.412 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -71 | -40.9 | -179 | -59 | -9.8 | 0 | 0 | 0 | 109.9 | A137 E140 L145 E146 K147 | A137-D143 HydrophobicContact CB-CB 4.21Å; E140-D143 HydrophobicContact CB-CB 4.02Å; E140-D143 WeakPolarHBondContact CB-OD2 3.32Å; E140-D143 PolarHBondContact O-N 3.22Å; D143-L145 PolarHBondContact O-N 3.34Å; D143-E146 PolarHBondContact O-N 3.06Å; D143-K147 WeakPolarHBondContact O-CB 3.41Å; D143-K147 PolarHBondContact O-N 2.83Å |
| 144 | A | 89.4 | Confident | 86 | Confident | 19 Ų | 19 | 87.1 Ų | 87.1 | 16% | 0.157 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -58.9 | -46.3 | 172 | 0 | 0 | 0 | 0 | 0 | 111.6 | A137 E140 K147 D148 | A137-A144 PolarHBondContact O-N 3.21Å; E140-A144 PolarHBondContact O-N 3.28Å; A144-K147 PolarHBondContact O-N 2.88Å; A144-D148 WeakPolarHBondContact O-CB 3.4Å; A144-D148 PolarHBondContact O-N 3.06Å |
| 145 | L | 91.1 | Very high | 84.1 | Confident | 76 Ų | 76 | 90.2 Ų | 90.2 | 40% | 0.398 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.1 | -37 | 177.3 | -75.5 | 173.8 | 0 | 0 | 0 | 112.9 | V141 F142 D143 Q149 | V141-L145 HydrophobicContact CG1-CD1 4.1Å; V141-L145 WeakPolarHBondContact O-CB 3.19Å; V141-L145 WeakPolarHBondContact O-CG 3.4Å; V141-L145 PolarHBondContact O-N 3.12Å; V141-L145 VanDerWaalsContact O-N 3.12Å; F142-L145 PolarHBondContact O-N 3.11Å; D143-L145 PolarHBondContact O-N 3.34Å; L145-Q149 WeakPolarHBondContact O-CB 3.25Å; L145-Q149 WeakPolarHBondContact O-CG 3.42Å; L145-Q149 PolarHBondContact O-N 3.22Å |
| 146 | E | 88.9 | Confident | 82.2 | Confident | 136 Ų | 136 | 89.9 Ų | 89.9 | 64% | 0.636 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.6 | -43.8 | 176.6 | -177.4 | 172.4 | -176.4 | 0 | 0 | 111.2 | F142 D143 Q149 A150 | F142-E146 WeakPolarHBondContact O-CB 3.42Å; F142-E146 PolarHBondContact O-N 2.92Å; D143-E146 PolarHBondContact O-N 3.06Å; E146-Q149 PolarHBondContact O-N 3.25Å; E146-A150 WeakPolarHBondContact O-CB 3.09Å; E146-A150 PolarHBondContact O-N 3.5Å |
| 147 | K | 86 | Confident | 80.4 | Confident | 84 Ų | 84 | 90.5 Ų | 90.5 | 37% | 0.365 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.8 | -47.3 | 175.4 | -175.1 | 177.3 | 171.7 | -173 | 0 | 111.6 | D138 D143 A144 Q149 A150 D151 | D138-K147 IonicContact OD1-NZ 3.45Å; D138-K147 PolarHBondContact OD1-NZ 3.26Å; D138-K147 IonicContact OD2-NZ 3.7Å; D143-K147 WeakPolarHBondContact O-CB 3.41Å; D143-K147 PolarHBondContact O-N 2.83Å; A144-K147 PolarHBondContact O-N 2.88Å; K147-Q149 VanDerWaalsContact C-N 3.29Å; K147-Q149 PolarHBondContact O-N 3.4Å; K147-A150 PolarHBondContact O-N 3.05Å; K147-A150 VanDerWaalsContact O-N 3.13Å; K147-D151 PolarHBondContact O-N 2.89Å |
| 148 | D | 88 | Confident | 78.6 | Confident | 96 Ų | 96 | 98 Ų | 98 | 51% | 0.513 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.7 | -38.4 | 176.1 | -76.9 | -8.3 | 0 | 0 | 0 | 111.8 | A144 S152 | A144-D148 WeakPolarHBondContact O-CB 3.4Å; A144-D148 PolarHBondContact O-N 3.06Å; D148-S152 WeakPolarHBondContact O-CB 3.49Å; D148-S152 PolarHBondContact O-N 3.45Å; D148-S152 PolarHBondContact O-OG 3.11Å |
| 149 | Q | 87.3 | Confident | 76.6 | Confident | 146 Ų | 146 | 97.3 Ų | 97.3 | 68% | 0.682 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.2 | -38.4 | 175.2 | -78.5 | 177.9 | 10.9 | 0 | 0 | 112.4 | L145 E146 K147 S152 | L145-Q149 WeakPolarHBondContact O-CB 3.25Å; L145-Q149 WeakPolarHBondContact O-CG 3.42Å; L145-Q149 PolarHBondContact O-N 3.22Å; E146-Q149 PolarHBondContact O-N 3.25Å; K147-Q149 VanDerWaalsContact C-N 3.29Å; K147-Q149 PolarHBondContact O-N 3.4Å; Q149-S152 PolarHBondContact O-N 2.9Å |
| 150 | A | 85.7 | Confident | 74.5 | Confident | 79 Ų | 79 | 99 Ų | 99 | 65% | 0.653 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -68.2 | -38.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E146 K147 | E146-A150 WeakPolarHBondContact O-CB 3.09Å; E146-A150 PolarHBondContact O-N 3.5Å; K147-A150 PolarHBondContact O-N 3.05Å; K147-A150 VanDerWaalsContact O-N 3.13Å |
| 151 | D | 83 | Confident | 72 | Confident | 117 Ų | 117 | 97.9 Ų | 97.9 | 63% | 0.626 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -76 | -27 | 177 | -70.9 | -21.4 | 0 | 0 | 0 | 112 | K147 H153 | K147-D151 PolarHBondContact O-N 2.89Å; D151-H153 PolarHBondContact O-N 3.15Å; D151-H153 VanDerWaalsContact O-N 3.11Å |
| 152 | S | 78.8 | Confident | 69.8 | Low | 63 Ų | 63 | 100.5 Ų | 100.5 | 44% | 0.441 | 60% | 0.601 | S | S | . | * | trans | -72.1 | 102.3 | 174.3 | -65.2 | 0 | 0 | 0 | 0 | 110.9 | D148 Q149 A154 | D148-S152 WeakPolarHBondContact O-CB 3.49Å; D148-S152 PolarHBondContact O-N 3.45Å; D148-S152 PolarHBondContact O-OG 3.11Å; Q149-S152 PolarHBondContact O-N 2.9Å; S152-A154 PolarHBondContact O-N 3.31Å | ||
| 153 | H | 66.3 | Low | 67.3 | Low | 157 Ų | 157 | 100.4 Ų | 100.4 | 73% | 0.727 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -59.9 | 1.8 | 164.9 | -68.7 | -49.1 | 0 | 0 | 0 | 114.4 | D151 G155 S156 | D151-H153 PolarHBondContact O-N 3.15Å; D151-H153 VanDerWaalsContact O-N 3.11Å; H153-G155 PolarHBondContact O-N 2.85Å; H153-G155 VanDerWaalsContact O-N 3.12Å; H153-S156 PolarHBondContact O-N 2.89Å |
| 154 | A | 59.6 | Low | 65 | Low | 98 Ų | 98 | 101.7 Ų | 101.7 | 81% | 0.81 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -57.9 | -23.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | S152 | S152-A154 PolarHBondContact O-N 3.31Š|
| 155 | G | 54.3 | Low | 62.6 | Low | 70 Ų | 70 | 109.2 Ų | 109.2 | 72% | 0.722 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -88.8 | -18.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | H153 N157 | H153-G155 PolarHBondContact O-N 2.85Å; H153-G155 VanDerWaalsContact O-N 3.12Å; G155-N157 PolarHBondContact O-N 2.94Å; G155-N157 VanDerWaalsContact O-N 3.07Å |
| 156 | S | 53.2 | Low | 60.1 | Low | 60 Ų | 60 | 109 Ų | 109 | 42% | 0.42 | 68% | 0.683 | S | S | . | * | trans | -83 | 93 | 176.5 | -165.2 | 0 | 0 | 0 | 0 | 107.6 | H153 K158 | H153-S156 PolarHBondContact O-N 2.89Å; S156-K158 PolarHBondContact O-N 3.43Å | ||
| 157 | N | 50.4 | Low | 57.7 | Low | 158 Ų | 158 | 108.5 Ų | 108.5 | 85% | 0.845 | 70% | 0.695 | S | S | * | * | trans | -67.2 | 64.4 | 166.8 | -151.4 | 19.7 | 0 | 0 | 0 | 108.8 | G155 G159 | G155-N157 PolarHBondContact O-N 2.94Å; G155-N157 VanDerWaalsContact O-N 3.07Å; N157-G159 PolarHBondContact O-N 3.26Å | ||
| 158 | K | 50.3 | Low | 55.8 | Low | 183 Ų | 183 | 112.8 Ų | 112.8 | 80% | 0.796 | 72% | 0.716 | S | S | * | * | trans | -72.5 | 60.6 | 159.2 | -79.7 | -178.5 | -178.6 | 177.7 | 0 | 107.6 | S156 S160 | S156-K158 PolarHBondContact O-N 3.43Å; K158-S160 PolarHBondContact O-N 2.83Å | ||
| 159 | G | 46.9 | Very low | 53.9 | Low | 52 Ų | 52 | 113.3 Ų | 113.3 | 54% | 0.536 | 72% | 0.723 | S | S | . | * | trans | -60.2 | 103.6 | 161.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | N157 | N157-G159 PolarHBondContact O-N 3.26Š| ||
| 160 | S | 44.3 | Very low | 52.4 | Low | 112 Ų | 112 | 110.4 Ų | 110.4 | 78% | 0.783 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 48 | 91 | 154.2 | 58.9 | 0 | 0 | 0 | 0 | 116.9 | K158 | K158-S160 PolarHBondContact O-N 2.83Š|
| 161 | G | 38.6 | Very low | 51.4 | Low | 73 Ų | 73 | 113.8 Ų | 113.8 | 75% | 0.753 | 74% | 0.739 | S | S | * | * | trans | 45.1 | 98.4 | 135.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 162 | V | 42.6 | Very low | 51.4 | Low | 140 Ų | 140 | 112.1 Ų | 112.1 | 85% | 0.848 | 74% | 0.737 | S | S | * | * | -141.4 | 117.2 | 122.1 | 177.9 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 163 | S | 38.6 | Very low | 51.8 | Low | 112 Ų | 112 | 120.7 Ų | 120.7 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | trans | -69.4 | 122.8 | 165.4 | -29.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 164 | S | 40.9 | Very low | 52.9 | Low | 104 Ų | 104 | 117.5 Ų | 117.5 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | 164.7 | 117.7 | 134.6 | 57.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 165 | D | 39.6 | Very low | 54.4 | Low | 178 Ų | 178 | 122.1 Ų | 122.1 | 95% | 0.952 | 76% | 0.76 | S | S | * | * | trans | 54 | 94.3 | 141.1 | -121.2 | 6 | 0 | 0 | 0 | 118.1 | ||||
| 166 | G | 39.1 | Very low | 56.1 | Low | 70 Ų | 70 | 125 Ų | 125 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | trans | 155.4 | 82.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q168 | G166-Q168 VanDerWaalsContact C-N 3.3Å; G166-Q168 PolarHBondContact O-N 2.89Å | ||
| 167 | S | 37.4 | Very low | 57.8 | Low | 127 Ų | 127 | 129.8 Ų | 129.8 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | trans | -59.9 | 84.7 | 176 | 170.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 168 | Q | 46.6 | Very low | 59.5 | Low | 173 Ų | 173 | 126.5 Ų | 126.5 | 81% | 0.808 | 77% | 0.766 | S | S | * | * | trans | -137.2 | 110 | 153.1 | -67.2 | -167.3 | 21.3 | 0 | 0 | 107.4 | G166 G170 | G166-Q168 VanDerWaalsContact C-N 3.3Å; G166-Q168 PolarHBondContact O-N 2.89Å; Q168-G170 PolarHBondContact O-N 2.82Å | ||
| 169 | T | 48.2 | Very low | 61.3 | Low | 108 Ų | 108 | 122.7 Ų | 122.7 | 66% | 0.663 | 75% | 0.754 | S | S | * | * | trans | -42.4 | 124.5 | 171.9 | 47.5 | 0 | 0 | 0 | 0 | 110.3 | D171 S172 | T169-D171 PolarHBondContact O-N 2.84Å; T169-S172 PolarHBondContact O-N 2.78Å | ||
| 170 | G | 57.1 | Low | 63.1 | Low | 84 Ų | 84 | 130.4 Ų | 130.4 | 87% | 0.866 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | 16.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q168 | Q168-G170 PolarHBondContact O-N 2.82Š|
| 171 | D | 64.3 | Low | 65 | Low | 150 Ų | 150 | 130.9 Ų | 130.9 | 80% | 0.802 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.9 | 1.3 | -178.5 | -61.8 | -35.7 | 0 | 0 | 0 | 113 | T169 | T169-D171 PolarHBondContact O-N 2.84Š|
| 172 | S | 81.5 | Confident | 67 | Low | 83 Ų | 83 | 131 Ų | 131 | 58% | 0.58 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -93.5 | 144.3 | 179.5 | -158.5 | 0 | 0 | 0 | 0 | 111.9 | T169 C174 | T169-S172 PolarHBondContact O-N 2.78Å; S172-C174 PolarHBondContact O-N 2.79Å |
| 173 | Y | 87.8 | Confident | 69 | Low | 242 Ų | 242 | 129.8 Ų | 129.8 | 95% | 0.949 | 73% | 0.734 | S | S | * | * | trans | -57.9 | 123.2 | 171.1 | -75.9 | -91.8 | 0 | 0 | 0 | 109.6 | ||||
| 174 | C | 88.8 | Confident | 70.9 | Confident | 90 Ų | 90 | 131 Ų | 131 | 61% | 0.608 | 73% | 0.727 | S | S | * | * | trans | -121.5 | 171.8 | 174.9 | 65.3 | 0 | 0 | 0 | 0 | 110.8 | S172 | S172-C174 PolarHBondContact O-N 2.79Š| ||
| 175 | Q | 92.4 | Very high | 72.8 | Confident | 195 Ų | 195 | 135.2 Ų | 135.2 | 91% | 0.911 | 73% | 0.732 | S | S | * | * | trans | -109.5 | 3.9 | 174 | -65.2 | -177 | -3.5 | 0 | 0 | 112.2 | ||||
| 176 | D | 90.1 | Very high | 74.6 | Confident | 130 Ų | 130 | 129.6 Ų | 129.6 | 70% | 0.695 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 128.5 | -179 | -60.4 | -47.9 | 0 | 0 | 0 | 110 | P178 | D176-P178 WeakPolarHBondContact O-CD 3.48Š|
| 177 | I | 88.7 | Confident | 76.4 | Confident | 162 Ų | 162 | 134.9 Ų | 134.9 | 83% | 0.831 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 123.4 | 176.3 | -60.2 | 173.2 | 0 | 0 | 0 | 107.6 | ||
| 178 | P | 86.4 | Confident | 78.7 | Confident | 89 Ų | 89 | 137.4 Ų | 137.4 | 58% | 0.578 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 145.1 | -178.7 | -15.9 | 28.1 | 0 | 0 | 0 | 111.8 | D176 F183 | D176-P178 WeakPolarHBondContact O-CD 3.48Å; P178-F183 HydrophobicContact CB-CE2 3.81Å; P178-F183 HydrophobicContact CB-CZ 3.9Å; P178-F183 HydrophobicContact CG-CZ 4.38Å |
| 179 | D | 87.4 | Confident | 80.7 | Confident | 102 Ų | 102 | 134.7 Ų | 134.7 | 55% | 0.545 | 71% | 0.711 | S | S | . | * | P | Polyproline II helix | trans | -63.3 | 136.3 | -179.9 | -173.9 | 4.1 | 0 | 0 | 0 | 111.4 | H181 A182 F183 | D179-H181 PolarHBondContact O-N 3.06Å; D179-H181 IonicContact OD1-CD2 3.53Å; D179-H181 PolarHBondContact OD1-N 2.96Å; D179-H181 IonicContact OD2-CD2 2.72Å; D179-A182 VanDerWaalsContact O-CB 3.26Å; D179-A182 WeakPolarHBondContact O-CB 3.3Å; D179-A182 PolarHBondContact O-N 2.81Å; D179-A182 VanDerWaalsContact O-N 3.09Å; D179-F183 WeakPolarHBondContact O-CD2 3.42Å |
| 180 | R | 84.3 | Confident | 82.9 | Confident | 214 Ų | 214 | 135.7 Ų | 135.7 | 81% | 0.808 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -59.9 | -34.4 | 178.9 | -176.4 | 174.7 | 177.1 | 151.5 | 0.2 | 111.9 | A182 F183 | R180-A182 PolarHBondContact O-N 3.25Å; R180-F183 PolarHBondContact O-N 3.26Å |
| 181 | H | 85.1 | Confident | 84.8 | Confident | 122 Ų | 122 | 138 Ų | 138 | 57% | 0.565 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -60.8 | -27.8 | 178.5 | -70 | -66.9 | 0 | 0 | 0 | 112.6 | D179 F183 E184 | D179-H181 PolarHBondContact O-N 3.06Å; D179-H181 IonicContact OD1-CD2 3.53Å; D179-H181 PolarHBondContact OD1-N 2.96Å; D179-H181 IonicContact OD2-CD2 2.72Å; H181-F183 PolarHBondContact O-N 2.85Å; H181-E184 IonicContact CE1-OE1 3.55Å; H181-E184 PolarHBondContact CE1-OE1 3.48Å; H181-E184 IonicContact CG-OE1 3.77Å; H181-E184 IonicContact ND1-OE1 2.69Å; H181-E184 PolarHBondContact ND1-OE1 3.38Å; H181-E184 IonicContact ND1-OE2 3.38Å; H181-E184 PolarHBondContact O-N 3Å |
| 182 | A | 80.6 | Confident | 86.3 | Confident | 75 Ų | 75 | 135.7 Ų | 135.7 | 62% | 0.62 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -63.7 | -22.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D179 R180 | D179-A182 VanDerWaalsContact O-CB 3.26Å; D179-A182 WeakPolarHBondContact O-CB 3.3Å; D179-A182 PolarHBondContact O-N 2.81Å; D179-A182 VanDerWaalsContact O-N 3.09Å; R180-A182 PolarHBondContact O-N 3.25Å |
| 183 | F | 83.5 | Confident | 87 | Confident | 116 Ų | 116 | 135 Ų | 135 | 51% | 0.509 | 70% | 0.697 | S | S | . | * | G | 310 helix | trans | -104.5 | 5.1 | -178.6 | -53.3 | -80.5 | 0 | 0 | 0 | 113.7 | P178 D179 R180 H181 K185 A186 | P178-F183 HydrophobicContact CB-CE2 3.81Å; P178-F183 HydrophobicContact CB-CZ 3.9Å; P178-F183 HydrophobicContact CG-CZ 4.38Å; D179-F183 WeakPolarHBondContact O-CD2 3.42Å; R180-F183 PolarHBondContact O-N 3.26Å; H181-F183 PolarHBondContact O-N 2.85Å; F183-K185 PolarHBondContact O-N 3.06Å; F183-A186 HydrophobicContact CB-CB 4.05Å; F183-A186 HydrophobicContact CD1-CB 4.4Å; F183-A186 VanDerWaalsContact O-CB 3.25Å; F183-A186 WeakPolarHBondContact O-CB 3.45Å; F183-A186 PolarHBondContact O-N 3.19Å |
| 184 | E | 80.1 | Confident | 87.5 | Confident | 137 Ų | 137 | 127.8 Ų | 127.8 | 64% | 0.64 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -29.4 | 178.7 | -76.5 | 179.9 | 173.9 | 0 | 0 | 112.8 | H181 | H181-E184 IonicContact CE1-OE1 3.55Å; H181-E184 PolarHBondContact CE1-OE1 3.48Å; H181-E184 IonicContact CG-OE1 3.77Å; H181-E184 IonicContact ND1-OE1 2.69Å; H181-E184 PolarHBondContact ND1-OE1 3.38Å; H181-E184 IonicContact ND1-OE2 3.38Å; H181-E184 PolarHBondContact O-N 3Å |
| 185 | K | 80.8 | Confident | 87.9 | Confident | 192 Ų | 192 | 127.6 Ų | 127.6 | 84% | 0.835 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -11 | 172.5 | -67.3 | -179.4 | -178 | 174.1 | 0 | 113.2 | F183 H187 | F183-K185 PolarHBondContact O-N 3.06Å; K185-H187 PolarHBondContact O-N 3.1Å |
| 186 | A | 77.5 | Confident | 88.1 | Confident | 60 Ų | 60 | 119.9 Ų | 119.9 | 50% | 0.496 | 64% | 0.635 | S | S | . | * | P | Polyproline II helix | trans | -69.8 | 133.8 | -179 | 0 | 0 | 0 | 0 | 0 | 109.6 | F183 | F183-A186 HydrophobicContact CB-CB 4.05Å; F183-A186 HydrophobicContact CD1-CB 4.4Å; F183-A186 VanDerWaalsContact O-CB 3.25Å; F183-A186 WeakPolarHBondContact O-CB 3.45Å; F183-A186 PolarHBondContact O-N 3.19Å |
| 187 | H | 75.8 | Confident | 88.4 | Confident | 182 Ų | 182 | 119.3 Ų | 119.3 | 84% | 0.843 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 167.2 | 174.1 | -62.4 | -69.5 | 0 | 0 | 0 | 111.1 | K185 | K185-H187 PolarHBondContact O-N 3.1Š|
| 188 | Q | 84.9 | Confident | 88.6 | Confident | 180 Ų | 180 | 116.5 Ų | 116.5 | 84% | 0.841 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -52 | 151.3 | 172.9 | -64.1 | 179.6 | 9.4 | 0 | 0 | 111.1 | ||
| 189 | P | 90.1 | Very high | 89 | Confident | 116 Ų | 116 | 113.7 Ų | 113.7 | 75% | 0.753 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 142.8 | 176.1 | -26.1 | 34.2 | 0 | 0 | 0 | 111.6 | ||
| 190 | P | 94.1 | Very high | 89.3 | Confident | 128 Ų | 128 | 109.1 Ų | 109.1 | 83% | 0.831 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 142.3 | 177.7 | -25.3 | 33.9 | 0 | 0 | 0 | 112.1 | ||
| 191 | V | 96.1 | Very high | 89.8 | Confident | 134 Ų | 134 | 102.2 Ų | 102.2 | 81% | 0.812 | 55% | 0.55 | S | S | * | . | P | Polyproline II helix | trans | -64 | 137.6 | 175.4 | -179.3 | 0 | 0 | 0 | 0 | 109.6 | P193 | V191-P193 VanDerWaalsContact O-CD 3.29Å; V191-P193 WeakPolarHBondContact O-CD 3.03Å |
| 192 | L | 96.5 | Very high | 90.3 | Very high | 101 Ų | 101 | 102.3 Ų | 102.3 | 53% | 0.529 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -57.4 | 120.5 | 178.5 | 178.9 | 66.9 | 0 | 0 | 0 | 110.7 | L196 L197 | L192-L196 HydrophobicContact CD1-CB 4.26Å; L192-L196 HydrophobicContact CD1-CD1 3.91Å; L192-L197 HydrophobicContact CD2-CD2 3.69Å; L192-L197 HydrophobicContact CD2-CG 4.15Å |
| 193 | P | 97.3 | Very high | 90.8 | Very high | 69 Ų | 69 | 103.4 Ų | 103.4 | 45% | 0.448 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 126.3 | 175.4 | -25.3 | 35.3 | 0 | 0 | 0 | 110.7 | V191 H195 L196 | V191-P193 VanDerWaalsContact O-CD 3.29Å; V191-P193 WeakPolarHBondContact O-CD 3.03Å; P193-H195 PolarHBondContact O-N 3.11Å; P193-L196 PolarHBondContact O-N 2.99Å |
| 194 | P | 97.5 | Very high | 91.1 | Very high | 89 Ų | 89 | 105.8 Ų | 105.8 | 58% | 0.578 | 56% | 0.563 | S | S | * | * | G | 310 helix | trans | -62.5 | -20.9 | -173.4 | 23.6 | -34.3 | 0 | 0 | 0 | 113.3 | L196 L197 | P194-L196 PolarHBondContact O-N 2.97Å; P194-L197 WeakPolarHBondContact O-CB 3.38Å; P194-L197 PolarHBondContact O-N 3.28Å; P194-L197 VanDerWaalsContact O-N 3.12Å |
| 195 | H | 96.7 | Very high | 91.5 | Very high | 86 Ų | 86 | 101.9 Ų | 101.9 | 40% | 0.398 | 55% | 0.549 | S | S | . | . | G | 310 helix | trans | -58.9 | -32 | 174.3 | -61.4 | 94.5 | 0 | 0 | 0 | 113.4 | P193 L197 Q198 V220 | P193-H195 PolarHBondContact O-N 3.11Å; H195-L197 PolarHBondContact O-N 3.28Å; H195-Q198 PolarHBondContact O-N 2.81Å; H195-V220 HydrophobicContact CB-CG2 3.57Å |
| 196 | L | 96.7 | Very high | 91.9 | Very high | 33 Ų | 33 | 96.7 Ų | 96.7 | 17% | 0.173 | 54% | 0.535 | C | S | . | . | G | 310 helix | trans | -73.5 | -11.2 | 179.4 | -60.3 | -176.2 | 0 | 0 | 0 | 113 | L192 P193 P194 M221 H224 Y226 | L192-L196 HydrophobicContact CD1-CB 4.26Å; L192-L196 HydrophobicContact CD1-CD1 3.91Å; P193-L196 PolarHBondContact O-N 2.99Å; P194-L196 PolarHBondContact O-N 2.97Å; L196-M221 HydrophobicContact CD2-CB 4.39Å; L196-H224 HydrophobicContact CD2-CB 4.46Å; L196-Y226 WeakPolarHBondContact O-CE1 3.35Å; L196-Y226 PolarHBondContact O-OH 2.72Å |
| 197 | L | 96.3 | Very high | 92.4 | Very high | 119 Ų | 119 | 102.4 Ų | 102.4 | 62% | 0.623 | 56% | 0.555 | S | S | * | * | G | 310 helix | trans | -84 | -12.5 | 174.5 | -59.7 | 174.2 | 0 | 0 | 0 | 112.4 | L192 P194 H195 V199 | L192-L197 HydrophobicContact CD2-CD2 3.69Å; L192-L197 HydrophobicContact CD2-CG 4.15Å; P194-L197 WeakPolarHBondContact O-CB 3.38Å; P194-L197 PolarHBondContact O-N 3.28Å; P194-L197 VanDerWaalsContact O-N 3.12Å; H195-L197 PolarHBondContact O-N 3.28Å; L197-V199 VanDerWaalsContact C-N 3.3Å; L197-V199 PolarHBondContact O-N 2.78Å |
| 198 | Q | 93.6 | Very high | 93.2 | Very high | 102 Ų | 102 | 99.2 Ų | 99.2 | 48% | 0.477 | 55% | 0.553 | S | S | . | * | trans | -85.2 | 66 | -178.4 | -61.2 | -175.3 | 6.5 | 0 | 0 | 111.9 | H195 I200 M221 | H195-Q198 PolarHBondContact O-N 2.81Å; Q198-I200 PolarHBondContact O-N 2.85Å; Q198-M221 WeakPolarHBondContact O-CE 3.41Å | ||
| 199 | V | 93.9 | Very high | 93.4 | Very high | 31 Ų | 31 | 93.7 Ų | 93.7 | 19% | 0.188 | 53% | 0.534 | C | S | . | . | trans | -59.7 | 119.7 | -176.3 | -170.9 | 0 | 0 | 0 | 0 | 111.4 | L197 L201 N202 Y226 | L197-V199 VanDerWaalsContact C-N 3.3Å; L197-V199 PolarHBondContact O-N 2.78Å; V199-L201 VanDerWaalsContact C-N 3.29Å; V199-L201 HydrophobicContact CG1-CB 4.43Å; V199-L201 PolarHBondContact O-N 2.99Å; V199-N202 HydrophobicContact CB-CB 4.09Å; V199-N202 HydrophobicContact CG1-CB 4.48Å; V199-N202 PolarHBondContact O-N 2.81Å; V199-N202 VanDerWaalsContact O-N 3.1Å; V199-Y226 HydrophobicContact CB-CD1 4.37Å; V199-Y226 HydrophobicContact CB-CE1 4.33Å; V199-Y226 HydrophobicContact CG1-CD1 3.91Å; V199-Y226 HydrophobicContact CG1-CE1 4.28Å; V199-Y226 HydrophobicContact CG1-CG 4.33Å; V199-Y226 HydrophobicContact CG2-CD1 3.82Å; V199-Y226 HydrophobicContact CG2-CE1 3.75Å | ||
| 200 | I | 94.6 | Very high | 93.6 | Very high | 6 Ų | 6 | 92.4 Ų | 92.4 | 3% | 0.031 | 52% | 0.521 | C | S | . | . | G | 310 helix | trans | -62.2 | -35.3 | -176.4 | -170.8 | 166.3 | 0 | 0 | 0 | 113 | Q198 N202 K203 L214 P215 P217 M221 T249 | Q198-I200 PolarHBondContact O-N 2.85Å; I200-N202 PolarHBondContact O-N 2.85Å; I200-K203 PolarHBondContact O-N 2.92Å; I200-L214 HydrophobicContact CD1-CB 3.97Å; I200-L214 HydrophobicContact CD1-CD1 4.33Å; I200-L214 HydrophobicContact CG1-CB 4.25Å; I200-L214 HydrophobicContact CG1-CD1 4.43Å; I200-P215 HydrophobicContact CD1-CG 4.47Å; I200-P215 VanDerWaalsContact CD1-O 3.28Å; I200-P215 WeakPolarHBondContact CD1-O 2.83Å; I200-P215 HydrophobicContact CG1-CG 4.07Å; I200-P217 HydrophobicContact CD1-CB 4.03Å; I200-M221 HydrophobicContact CB-CE 4.24Å; I200-M221 HydrophobicContact CB-SD 4.37Å; I200-T249 HydrophobicContact CG2-CG2 4.33Å |
| 201 | L | 94.8 | Very high | 93.5 | Very high | 68 Ų | 68 | 91.4 Ų | 91.4 | 36% | 0.356 | 51% | 0.514 | S | S | . | . | G | 310 helix | trans | -75.7 | -11.4 | 179.5 | -63.1 | 179.5 | 0 | 0 | 0 | 113.5 | V199 L214 S238 T249 L251 | V199-L201 VanDerWaalsContact C-N 3.29Å; V199-L201 HydrophobicContact CG1-CB 4.43Å; V199-L201 PolarHBondContact O-N 2.99Å; L201-L214 HydrophobicContact CD2-CD1 3.93Å; L201-L214 HydrophobicContact CD2-CD2 4.2Å; L201-S238 WeakPolarHBondContact CD1-OG 3.35Å; L201-T249 HydrophobicContact CD1-CG2 4.09Å; L201-T249 HydrophobicContact CD2-CG2 3.84Å; L201-T249 HydrophobicContact CG-CG2 4.04Å; L201-L251 HydrophobicContact CD1-CD1 3.93Å; L201-L251 HydrophobicContact CD1-CD2 4.24Å; L201-L251 HydrophobicContact CD1-CG 4.16Å; L201-L251 HydrophobicContact CD2-CD1 4.37Å |
| 202 | N | 94.5 | Very high | 93.3 | Very high | 125 Ų | 125 | 91.5 Ų | 91.5 | 67% | 0.668 | 51% | 0.51 | S | S | * | . | G | 310 helix | trans | -93.5 | 0.8 | 174.8 | -66.3 | -4.8 | 0 | 0 | 0 | 112.2 | V199 I200 | V199-N202 HydrophobicContact CB-CB 4.09Å; V199-N202 HydrophobicContact CG1-CB 4.48Å; V199-N202 PolarHBondContact O-N 2.81Å; V199-N202 VanDerWaalsContact O-N 3.1Å; I200-N202 PolarHBondContact O-N 2.85Å |
| 203 | K | 91.9 | Very high | 93.2 | Very high | 98 Ų | 98 | 90.6 Ų | 90.6 | 43% | 0.426 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -89.2 | 134 | 177.5 | -63.9 | -173.2 | 178.2 | -176.3 | 0 | 109.7 | I200 P215 | I200-K203 PolarHBondContact O-N 2.92Å; K203-P215 HydrophobicContact CB-CG 4.47Å; K203-P215 HydrophobicContact CD-CG 3.99Å |
| 204 | D | 89.8 | Confident | 93.1 | Very high | 166 Ų | 166 | 90.2 Ų | 90.2 | 89% | 0.888 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -69 | 134.2 | 174.3 | -62.8 | -46.1 | 0 | 0 | 0 | 111 | ||
| 205 | T | 88.2 | Confident | 93 | Very high | 55 Ų | 55 | 88.4 Ų | 88.4 | 34% | 0.337 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -97 | 135.7 | 170.5 | 50.1 | 0 | 0 | 0 | 0 | 109.7 | I207 V213 | T205-I207 PolarHBondContact O-N 2.9Å; T205-V213 VanDerWaalsContact CG2-O 3.32Å; T205-V213 WeakPolarHBondContact CG2-O 3.22Å |
| 206 | P | 88.5 | Confident | 92.9 | Very high | 83 Ų | 83 | 91.3 Ų | 91.3 | 54% | 0.539 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 138.9 | 176.8 | -24.6 | 33.4 | 0 | 0 | 0 | 112.2 | S208 C209 | P206-S208 PolarHBondContact O-N 3.38Å; P206-C209 PolarHBondContact O-N 2.81Å |
| 207 | I | 89.6 | Confident | 92.9 | Very high | 179 Ų | 179 | 90.3 Ų | 90.3 | 92% | 0.918 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -21.4 | -177.6 | -57.9 | 165.8 | 0 | 0 | 0 | 112.1 | T205 C209 | T205-I207 PolarHBondContact O-N 2.9Å; I207-C209 VanDerWaalsContact C-N 3.32Å |
| 208 | S | 92.4 | Very high | 92.9 | Very high | 115 Ų | 115 | 87.7 Ų | 87.7 | 80% | 0.804 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -9 | 177.3 | 53.8 | 0 | 0 | 0 | 0 | 114.6 | P206 | P206-S208 PolarHBondContact O-N 3.38Š|
| 209 | C | 89.1 | Confident | 93.1 | Very high | 65 Ų | 65 | 88.9 Ų | 88.9 | 44% | 0.439 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -100.5 | 159.1 | -177.2 | -63.5 | 0 | 0 | 0 | 0 | 112.2 | P206 I207 | P206-C209 PolarHBondContact O-N 2.81Å; I207-C209 VanDerWaalsContact C-N 3.32Å |
| 210 | D | 93 | Very high | 93.3 | Very high | 89 Ų | 89 | 90 Ų | 90 | 48% | 0.476 | 50% | 0.499 | S | S | . | . | trans | -60.2 | 129.2 | 171.8 | 179.6 | -26.5 | 0 | 0 | 0 | 110 | N212 V213 | D210-N212 PolarHBondContact O-N 3.03Å; D210-N212 VanDerWaalsContact O-N 3.1Å; D210-N212 WeakPolarHBondContact OD1-CB 3.42Å; D210-N212 PolarHBondContact OD1-N 2.96Å; D210-N212 PolarHBondContact OD1-ND2 2.83Å; D210-V213 HydrophobicContact CB-CG2 3.84Å; D210-V213 WeakPolarHBondContact O-CB 3.15Å; D210-V213 PolarHBondContact O-N 3.32Å | ||
| 211 | P | 92.6 | Very high | 93.4 | Very high | 106 Ų | 106 | 90 Ų | 90 | 69% | 0.688 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -16.2 | -177.6 | 26.4 | -36.8 | 0 | 0 | 0 | 114.4 | V213 | P211-V213 VanDerWaalsContact C-N 3.33Š|
| 212 | N | 93 | Very high | 93.5 | Very high | 136 Ų | 136 | 87.5 Ų | 87.5 | 73% | 0.727 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -6.3 | 175.7 | -56.4 | -69.7 | 0 | 0 | 0 | 113 | D210 | D210-N212 PolarHBondContact O-N 3.03Å; D210-N212 VanDerWaalsContact O-N 3.1Å; D210-N212 WeakPolarHBondContact OD1-CB 3.42Å; D210-N212 PolarHBondContact OD1-N 2.96Å; D210-N212 PolarHBondContact OD1-ND2 2.83Å |
| 213 | V | 94.2 | Very high | 93.7 | Very high | 83 Ų | 83 | 87.4 Ų | 87.4 | 50% | 0.503 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -90.1 | 119.6 | -179.7 | 176.3 | 0 | 0 | 0 | 0 | 109.7 | T205 D210 P211 | T205-V213 VanDerWaalsContact CG2-O 3.32Å; T205-V213 WeakPolarHBondContact CG2-O 3.22Å; D210-V213 HydrophobicContact CB-CG2 3.84Å; D210-V213 WeakPolarHBondContact O-CB 3.15Å; D210-V213 PolarHBondContact O-N 3.32Å; P211-V213 VanDerWaalsContact C-N 3.33Å |
| 214 | L | 94.9 | Very high | 94 | Very high | 60 Ų | 60 | 86.4 Ų | 86.4 | 31% | 0.314 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -102.1 | 155.1 | 174.7 | -65.3 | 174.7 | 0 | 0 | 0 | 110.8 | I200 L201 T249 | I200-L214 HydrophobicContact CD1-CB 3.97Å; I200-L214 HydrophobicContact CD1-CD1 4.33Å; I200-L214 HydrophobicContact CG1-CB 4.25Å; I200-L214 HydrophobicContact CG1-CD1 4.43Å; L201-L214 HydrophobicContact CD2-CD1 3.93Å; L201-L214 HydrophobicContact CD2-CD2 4.2Å; L214-T249 HydrophobicContact CD1-CG2 4.23Å; L214-T249 WeakPolarHBondContact CD1-OG1 3.37Å |
| 215 | P | 94.1 | Very high | 94.4 | Very high | 51 Ų | 51 | 84.3 Ų | 84.3 | 33% | 0.331 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 159.5 | 171.7 | 27 | -34.7 | 0 | 0 | 0 | 111.4 | I200 K203 P217 | I200-P215 HydrophobicContact CD1-CG 4.47Å; I200-P215 VanDerWaalsContact CD1-O 3.28Å; I200-P215 WeakPolarHBondContact CD1-O 2.83Å; I200-P215 HydrophobicContact CG1-CG 4.07Å; K203-P215 HydrophobicContact CB-CG 4.47Å; K203-P215 HydrophobicContact CD-CG 3.99Å; P215-P217 WeakPolarHBondContact O-CD 3.38Å |
| 216 | E | 95.1 | Very high | 94.8 | Very high | 147 Ų | 147 | 83.3 Ų | 83.3 | 69% | 0.687 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 124.8 | 176 | -175.8 | 167.3 | -170.4 | 0 | 0 | 110.8 | Y247 | E216-Y247 HydrophobicContact CG-CD2 4.31Å; E216-Y247 HydrophobicContact CG-CE2 3.72Å; E216-Y247 WeakPolarHBondContact OE1-CE2 3.25Å; E216-Y247 PolarHBondContact OE1-OH 2.78Å |
| 217 | P | 96.4 | Very high | 95.2 | Very high | 13 Ų | 13 | 82.6 Ų | 82.6 | 8% | 0.084 | 46% | 0.461 | C | S | . | . | P | Polyproline II helix | trans | -74.7 | 153 | 178 | 30.7 | -36 | 0 | 0 | 0 | 111.7 | I200 P215 M221 L222 T240 Y247 | I200-P217 HydrophobicContact CD1-CB 4.03Å; P215-P217 WeakPolarHBondContact O-CD 3.38Å; P217-M221 HydrophobicContact CB-CG 4.17Å; P217-M221 HydrophobicContact CB-SD 3.73Å; P217-L222 HydrophobicContact CB-CD2 4.17Å; P217-L222 HydrophobicContact CG-CD2 3.89Å; P217-T240 HydrophobicContact CB-CG2 4.24Å; P217-T240 HydrophobicContact CG-CG2 3.97Å; P217-Y247 HydrophobicContact CG-CD1 3.51Å; P217-Y247 HydrophobicContact CG-CD2 4.1Å; P217-Y247 HydrophobicContact CG-CE1 4Å; P217-Y247 HydrophobicContact CG-CG 3.54Å |
| 218 | N | 96.8 | Very high | 95.6 | Very high | 64 Ų | 64 | 79.3 Ų | 79.3 | 34% | 0.342 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 137.5 | 165.5 | -167.9 | -26.6 | 0 | 0 | 0 | 109.6 | V220 M221 | N218-V220 HydrophobicContact CB-CG2 4.26Å; N218-V220 PolarHBondContact O-N 3.05Å; N218-V220 VanDerWaalsContact O-N 3.1Å; N218-V220 PolarHBondContact OD1-N 3.17Å; N218-M221 WeakPolarHBondContact O-CG 3.3Å; N218-M221 PolarHBondContact O-N 3.13Å; N218-M221 VanDerWaalsContact O-N 3.1Å |
| 219 | H | 97.5 | Very high | 95.8 | Very high | 126 Ų | 126 | 79.3 Ų | 79.3 | 58% | 0.583 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -57.1 | -28.8 | -177.9 | 72.4 | -79.2 | 0 | 0 | 0 | 113.6 | M221 L222 | H219-M221 VanDerWaalsContact C-N 3.29Å; H219-M221 PolarHBondContact O-N 3.17Å; H219-L222 HydrophobicContact CB-CD1 4.44Å; H219-L222 WeakPolarHBondContact O-CB 3.45Å; H219-L222 WeakPolarHBondContact O-CG 3.24Å; H219-L222 PolarHBondContact O-N 3.15Å |
| 220 | V | 97.7 | Very high | 96.1 | Very high | 54 Ų | 54 | 81.2 Ų | 81.2 | 33% | 0.327 | 45% | 0.45 | S | S | . | . | G | 310 helix | trans | -71.8 | -17.7 | -179.4 | -55.6 | 0 | 0 | 0 | 0 | 114.3 | H195 N218 H224 | H195-V220 HydrophobicContact CB-CG2 3.57Å; N218-V220 HydrophobicContact CB-CG2 4.26Å; N218-V220 PolarHBondContact O-N 3.05Å; N218-V220 VanDerWaalsContact O-N 3.1Å; N218-V220 PolarHBondContact OD1-N 3.17Å; V220-H224 PolarHBondContact O-CD2 2.82Å; V220-H224 VanDerWaalsContact O-CD2 3.26Å; V220-H224 PolarHBondContact O-NE2 2.84Å |
| 221 | M | 96.5 | Very high | 96.2 | Very high | 7 Ų | 7 | 84.1 Ų | 84.1 | 3% | 0.034 | 46% | 0.458 | C | S | . | . | G | 310 helix | trans | -93.9 | -6.3 | 177.1 | 66.6 | 132.6 | 51.7 | 0 | 0 | 113.3 | L196 Q198 I200 P217 N218 H219 H224 | L196-M221 HydrophobicContact CD2-CB 4.39Å; Q198-M221 WeakPolarHBondContact O-CE 3.41Å; I200-M221 HydrophobicContact CB-CE 4.24Å; I200-M221 HydrophobicContact CB-SD 4.37Å; P217-M221 HydrophobicContact CB-CG 4.17Å; P217-M221 HydrophobicContact CB-SD 3.73Å; N218-M221 WeakPolarHBondContact O-CG 3.3Å; N218-M221 PolarHBondContact O-N 3.13Å; N218-M221 VanDerWaalsContact O-N 3.1Å; H219-M221 VanDerWaalsContact C-N 3.29Å; H219-M221 PolarHBondContact O-N 3.17Å; M221-H224 WeakPolarHBondContact O-CB 3.22Å; M221-H224 PolarHBondContact O-N 2.7Å |
| 222 | L | 97.6 | Very high | 96.4 | Very high | 16 Ų | 16 | 85.8 Ų | 85.8 | 8% | 0.084 | 46% | 0.461 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | 146.6 | 179.2 | -59.6 | 177.5 | 0 | 0 | 0 | 110.2 | P217 H219 H224 T240 R242 Y247 | P217-L222 HydrophobicContact CB-CD2 4.17Å; P217-L222 HydrophobicContact CG-CD2 3.89Å; H219-L222 HydrophobicContact CB-CD1 4.44Å; H219-L222 WeakPolarHBondContact O-CB 3.45Å; H219-L222 WeakPolarHBondContact O-CG 3.24Å; H219-L222 PolarHBondContact O-N 3.15Å; L222-H224 PolarHBondContact O-CD2 2.95Å; L222-H224 VanDerWaalsContact O-CD2 3.31Å; L222-H224 PolarHBondContact O-N 3.37Å; L222-H224 VanDerWaalsContact O-N 3.14Å; L222-T240 WeakPolarHBondContact CA-O 3.48Å; L222-T240 HydrophobicContact CD2-CG2 3.62Å; L222-R242 HydrophobicContact CD1-CB 4.15Å; L222-Y247 HydrophobicContact CD1-CD1 4.29Å; L222-Y247 HydrophobicContact CD1-CE1 4.05Å; L222-Y247 HydrophobicContact CD2-CD1 4.01Å; L222-Y247 HydrophobicContact CD2-CE1 4.46Å |
| 223 | N | 98 | Very high | 96.5 | Very high | 122 Ų | 122 | 81.3 Ų | 81.3 | 65% | 0.652 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | 6.3 | -177.7 | -43.4 | -38.6 | 0 | 0 | 0 | 114.9 | T240 H241 | N223-T240 PolarHBondContact N-O 3.34Å; N223-H241 PolarHBondContact OD1-CD2 3.17Å |
| 224 | H | 98.2 | Very high | 96.7 | Very high | 78 Ų | 78 | 79.7 Ų | 79.7 | 36% | 0.361 | 44% | 0.437 | S | S | . | . | trans | -84.7 | 138.9 | 169.3 | -70.8 | -93.9 | 0 | 0 | 0 | 110.9 | L196 V220 M221 L222 Y226 | L196-H224 HydrophobicContact CD2-CB 4.46Å; V220-H224 PolarHBondContact O-CD2 2.82Å; V220-H224 VanDerWaalsContact O-CD2 3.26Å; V220-H224 PolarHBondContact O-NE2 2.84Å; M221-H224 WeakPolarHBondContact O-CB 3.22Å; M221-H224 PolarHBondContact O-N 2.7Å; L222-H224 PolarHBondContact O-CD2 2.95Å; L222-H224 VanDerWaalsContact O-CD2 3.31Å; L222-H224 PolarHBondContact O-N 3.37Å; L222-H224 VanDerWaalsContact O-N 3.14Å; H224-Y226 HydrophobicContact CB-CE2 4.23Å | ||
| 225 | L | 98 | Very high | 96.8 | Very high | 121 Ų | 121 | 79.7 Ų | 79.7 | 63% | 0.634 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 125.5 | 177.9 | -173.1 | 71.6 | 0 | 0 | 0 | 110.4 | L237 | L225-L237 HydrophobicContact CD1-CB 4.1Å; L225-L237 HydrophobicContact CD1-CD1 4.42Å; L225-L237 HydrophobicContact CD1-CD2 4.24Å; L225-L237 HydrophobicContact CD1-CG 4.48Å; L225-L237 HydrophobicContact CD2-CD2 4.22Å; L225-L237 HydrophobicContact CG-CD2 4.41Å |
| 226 | Y | 97.8 | Very high | 96.9 | Very high | 35 Ų | 35 | 78 Ų | 78 | 14% | 0.137 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 146.1 | 166.5 | -62.8 | -87 | 0 | 0 | 0 | 108.9 | L196 V199 H224 S238 | L196-Y226 WeakPolarHBondContact O-CE1 3.35Å; L196-Y226 PolarHBondContact O-OH 2.72Å; V199-Y226 HydrophobicContact CB-CD1 4.37Å; V199-Y226 HydrophobicContact CB-CE1 4.33Å; V199-Y226 HydrophobicContact CG1-CD1 3.91Å; V199-Y226 HydrophobicContact CG1-CE1 4.28Å; V199-Y226 HydrophobicContact CG1-CG 4.33Å; V199-Y226 HydrophobicContact CG2-CD1 3.82Å; V199-Y226 HydrophobicContact CG2-CE1 3.75Å; H224-Y226 HydrophobicContact CB-CE2 4.23Å; Y226-S238 PolarHBondContact N-O 3.23Å; Y226-S238 PolarHBondContact O-N 3.33Å |
| 227 | A | 97.6 | Very high | 97.1 | Very high | 68 Ų | 68 | 73.2 Ų | 73.2 | 56% | 0.562 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 145.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | V236 L237 | A227-V236 WeakPolarHBondContact CA-O 3.34Å; A227-L237 HydrophobicContact CB-CD2 3.71Å |
| 228 | L | 96.9 | Very high | 97.2 | Very high | 109 Ų | 109 | 73.1 Ų | 73.1 | 57% | 0.571 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -83.2 | 156.5 | 162.4 | -64.6 | 176.2 | 0 | 0 | 0 | 109.5 | I230 V236 | L228-I230 PolarHBondContact O-N 2.87Å; L228-V236 HydrophobicContact CB-CB 4.2Å; L228-V236 HydrophobicContact CD1-CB 4.08Å; L228-V236 HydrophobicContact CD1-CG1 4.15Å; L228-V236 HydrophobicContact CD1-CG2 4.39Å; L228-V236 HydrophobicContact CG-CB 4.36Å; L228-V236 PolarHBondContact N-O 2.87Å |
| 229 | S | 96.6 | Very high | 97.2 | Very high | 115 Ų | 115 | 70.8 Ų | 70.8 | 80% | 0.804 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 132.1 | 168.2 | -63.3 | 0 | 0 | 0 | 0 | 109.5 | K231 | S229-K231 PolarHBondContact O-N 3.03Š|
| 230 | I | 96 | Very high | 97.3 | Very high | 106 Ų | 106 | 64.8 Ų | 64.8 | 54% | 0.544 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 131.1 | -179.6 | -64 | 162.4 | 0 | 0 | 0 | 109.1 | L228 M235 I256 | L228-I230 PolarHBondContact O-N 2.87Å; I230-M235 HydrophobicContact CD1-CE 4.27Å; I230-M235 HydrophobicContact CG1-CG 4.44Å; I230-I256 HydrophobicContact CB-CD1 4.37Å; I230-I256 HydrophobicContact CD1-CD1 3.61Å; I230-I256 HydrophobicContact CG1-CD1 3.81Å; I230-I256 HydrophobicContact CG2-CD1 3.62Å |
| 231 | K | 95.5 | Very high | 97.3 | Very high | 150 Ų | 150 | 66.5 Ų | 66.5 | 65% | 0.652 | 37% | 0.37 | S | S | * | . | B | Isolated β-bridge | trans | -144.2 | 139.5 | -179 | -166.2 | -176 | 171.6 | -175.8 | 0 | 110 | S229 G233 V234 | S229-K231 PolarHBondContact O-N 3.03Å; K231-G233 PolarHBondContact O-N 2.87Å; K231-V234 PolarHBondContact N-O 3.08Å; K231-V234 PolarHBondContact O-N 2.88Å |
| 232 | D | 95.6 | Very high | 97.4 | Very high | 141 Ų | 141 | 71.7 Ų | 71.7 | 75% | 0.754 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 36.9 | 175.4 | -53.5 | -37.8 | 0 | 0 | 0 | 114 | V234 | D232-V234 VanDerWaalsContact C-N 3.26Å; D232-V234 PolarHBondContact O-N 2.97Å |
| 233 | G | 95.7 | Very high | 97.4 | Very high | 42 Ų | 42 | 78.2 Ų | 78.2 | 43% | 0.433 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73 | 13.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | K231 P255 I256 | K231-G233 PolarHBondContact O-N 2.87Å; G233-P255 CarbonylContact O-C 3.59Å; G233-P255 WeakPolarHBondContact O-CA 3.41Å; G233-I256 PolarHBondContact O-N 3.02Å |
| 234 | V | 97.2 | Very high | 97.3 | Very high | 48 Ų | 48 | 82 Ų | 82 | 29% | 0.291 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 129 | -178.8 | -177.2 | 0 | 0 | 0 | 0 | 110.8 | K231 D232 V236 Y253 | K231-V234 PolarHBondContact N-O 3.08Å; K231-V234 PolarHBondContact O-N 2.88Å; D232-V234 VanDerWaalsContact C-N 3.26Å; D232-V234 PolarHBondContact O-N 2.97Å; V234-V236 HydrophobicContact CG1-CG2 4.34Å; V234-Y253 HydrophobicContact CG1-CD1 4.12Å |
| 235 | M | 97.5 | Very high | 97.3 | Very high | 60 Ų | 60 | 87.4 Ų | 87.4 | 30% | 0.296 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 133.7 | 165.3 | -168.6 | -177.9 | -68.7 | 0 | 0 | 109.4 | I230 L237 K254 I256 | I230-M235 HydrophobicContact CD1-CE 4.27Å; I230-M235 HydrophobicContact CG1-CG 4.44Å; M235-L237 HydrophobicContact CG-CD2 3.96Å; M235-L237 HydrophobicContact CG-CG 3.97Å; M235-L237 HydrophobicContact SD-CD1 3.8Å; M235-L237 HydrophobicContact SD-CD2 3.75Å; M235-L237 HydrophobicContact SD-CG 3.77Å; M235-K254 PolarHBondContact N-O 3.2Å; M235-K254 PolarHBondContact O-N 2.83Å; M235-I256 HydrophobicContact CB-CD1 3.63Å; M235-I256 HydrophobicContact CB-CG1 3.9Å; M235-I256 HydrophobicContact CE-CD1 3.81Å; M235-I256 HydrophobicContact CE-CG1 4.21Å; M235-I256 HydrophobicContact CG-CD1 4.47Å |
| 236 | V | 97.7 | Very high | 97.3 | Very high | 17 Ų | 17 | 88.9 Ų | 88.9 | 10% | 0.103 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 114.4 | 171.9 | -169.9 | 0 | 0 | 0 | 0 | 108.9 | A227 L228 V234 L252 Y253 | A227-V236 WeakPolarHBondContact CA-O 3.34Å; L228-V236 HydrophobicContact CB-CB 4.2Å; L228-V236 HydrophobicContact CD1-CB 4.08Å; L228-V236 HydrophobicContact CD1-CG1 4.15Å; L228-V236 HydrophobicContact CD1-CG2 4.39Å; L228-V236 HydrophobicContact CG-CB 4.36Å; L228-V236 PolarHBondContact N-O 2.87Å; V234-V236 HydrophobicContact CG1-CG2 4.34Å; V236-L252 WeakPolarHBondContact CA-O 3.44Å; V236-Y253 HydrophobicContact CB-CD1 4.46Å; V236-Y253 HydrophobicContact CB-CE1 4.34Å; V236-Y253 HydrophobicContact CG1-CD1 4.27Å; V236-Y253 HydrophobicContact CG1-CD2 4.33Å; V236-Y253 HydrophobicContact CG1-CE1 3.93Å; V236-Y253 HydrophobicContact CG1-CE2 4Å; V236-Y253 HydrophobicContact CG1-CG 4.45Å; V236-Y253 HydrophobicContact CG2-CD1 3.48Å; V236-Y253 VanDerWaalsContact CG2-CD1 3.48Å; V236-Y253 HydrophobicContact CG2-CE1 3.43Å; V236-Y253 VanDerWaalsContact CG2-CE1 3.43Å; V236-Y253 HydrophobicContact CG2-CG 4.25Å |
| 237 | L | 97.9 | Very high | 97.3 | Very high | 46 Ų | 46 | 90.3 Ų | 90.3 | 24% | 0.241 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 146.3 | 177.4 | -63.6 | -178.1 | 0 | 0 | 0 | 109.9 | L225 A227 M235 L251 L252 | L225-L237 HydrophobicContact CD1-CB 4.1Å; L225-L237 HydrophobicContact CD1-CD1 4.42Å; L225-L237 HydrophobicContact CD1-CD2 4.24Å; L225-L237 HydrophobicContact CD1-CG 4.48Å; L225-L237 HydrophobicContact CD2-CD2 4.22Å; L225-L237 HydrophobicContact CG-CD2 4.41Å; A227-L237 HydrophobicContact CB-CD2 3.71Å; M235-L237 HydrophobicContact CG-CD2 3.96Å; M235-L237 HydrophobicContact CG-CG 3.97Å; M235-L237 HydrophobicContact SD-CD1 3.8Å; M235-L237 HydrophobicContact SD-CD2 3.75Å; M235-L237 HydrophobicContact SD-CG 3.77Å; L237-L251 CarbonylContact O-C 3.55Å; L237-L251 WeakPolarHBondContact O-CA 3.46Å; L237-L252 PolarHBondContact N-O 3.03Å; L237-L252 PolarHBondContact O-N 2.91Å |
| 238 | S | 98 | Very high | 97.3 | Very high | 11 Ų | 11 | 90.9 Ų | 90.9 | 8% | 0.077 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 146.5 | 173.8 | -170.1 | 0 | 0 | 0 | 0 | 112.2 | L201 Y226 T249 T250 | L201-S238 WeakPolarHBondContact CD1-OG 3.35Å; Y226-S238 PolarHBondContact N-O 3.23Å; Y226-S238 PolarHBondContact O-N 3.33Å; S238-T249 VanDerWaalsContact OG-CG2 3.3Å; S238-T249 WeakPolarHBondContact OG-CG2 3.28Å; S238-T250 WeakPolarHBondContact CA-O 3.4Å; S238-T250 WeakPolarHBondContact CB-O 3.22Å; S238-T250 PolarHBondContact OG-O 2.91Å |
| 239 | A | 98.1 | Very high | 97.4 | Very high | 14 Ų | 14 | 86.9 Ų | 86.9 | 12% | 0.116 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 145.9 | 170 | 0 | 0 | 0 | 0 | 0 | 110 | T250 | A239-T250 PolarHBondContact N-O 2.98Å; A239-T250 PolarHBondContact O-N 3.08Å |
| 240 | T | 98.3 | Very high | 97.4 | Very high | 1 Ų | 1 | 85.1 Ų | 85.1 | 1% | 0.006 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 120.7 | 174.3 | -52.7 | 0 | 0 | 0 | 0 | 109.7 | P217 L222 N223 V248 T249 | P217-T240 HydrophobicContact CB-CG2 4.24Å; P217-T240 HydrophobicContact CG-CG2 3.97Å; L222-T240 WeakPolarHBondContact CA-O 3.48Å; L222-T240 HydrophobicContact CD2-CG2 3.62Å; N223-T240 PolarHBondContact N-O 3.34Å; T240-V248 WeakPolarHBondContact CA-O 3.41Å; T240-T249 PolarHBondContact OG1-OG1 2.83Å |
| 241 | H | 98.3 | Very high | 97.5 | Very high | 89 Ų | 89 | 83.7 Ų | 83.7 | 41% | 0.412 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 151.4 | 178.7 | -62.7 | 95.7 | 0 | 0 | 0 | 110.9 | N223 Y247 V248 | N223-H241 PolarHBondContact OD1-CD2 3.17Å; H241-Y247 WeakPolarHBondContact O-CA 3.14Å; H241-V248 PolarHBondContact N-O 2.93Å; H241-V248 PolarHBondContact O-N 3.01Å |
| 242 | R | 98.3 | Very high | 97.6 | Very high | 117 Ų | 117 | 81.2 Ų | 81.2 | 44% | 0.442 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 125.5 | 176 | -175.2 | -172.1 | -66.2 | -98.3 | 3 | 110 | L222 R244 K246 Y247 | L222-R242 HydrophobicContact CD1-CB 4.15Å; R242-R244 WeakPolarHBondContact CD-O 3.37Å; R242-R244 VanDerWaalsContact CG-O 3.31Å; R242-R244 WeakPolarHBondContact CG-O 3.2Å; R242-K246 WeakPolarHBondContact CA-O 3.33Å; R242-Y247 HydrophobicContact CB-CD1 4.33Å; R242-Y247 HydrophobicContact CG-CD1 4.34Å; R242-Y247 HydrophobicContact CG-CE1 4.24Å; R242-Y247 PolarHBondContact NH1-OH 2.99Å; R242-Y247 PolarHBondContact NH2-OH 2.78Å |
| 243 | Y | 98 | Very high | 97.7 | Very high | 153 Ų | 153 | 81.6 Ų | 81.6 | 60% | 0.6 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113 | 105.2 | 165.7 | -179.6 | -106.5 | 0 | 0 | 0 | 109.2 | K245 K246 | Y243-K245 PolarHBondContact O-N 2.87Å; Y243-K246 PolarHBondContact N-O 2.78Å; Y243-K246 PolarHBondContact O-N 2.91Å |
| 244 | R | 96.6 | Very high | 97.8 | Very high | 202 Ų | 202 | 85.7 Ų | 85.7 | 76% | 0.762 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | -110.5 | -172.4 | -58.6 | 179.3 | 174.2 | -179.6 | -2.2 | 111.7 | R242 | R242-R244 WeakPolarHBondContact CD-O 3.37Å; R242-R244 VanDerWaalsContact CG-O 3.31Å; R242-R244 WeakPolarHBondContact CG-O 3.2Å |
| 245 | K | 97.6 | Very high | 97.8 | Very high | 190 Ų | 190 | 88.3 Ų | 88.3 | 83% | 0.826 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | 13 | 179.5 | -62 | -174.6 | 177.8 | -176.7 | 0 | 112.8 | Y243 | Y243-K245 PolarHBondContact O-N 2.87Š|
| 246 | K | 97.7 | Very high | 97.5 | Very high | 152 Ų | 152 | 92.4 Ų | 92.4 | 66% | 0.661 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 155.3 | -179.4 | -59.3 | -62.7 | -175.6 | 179.4 | 0 | 109.9 | R242 Y243 | R242-K246 WeakPolarHBondContact CA-O 3.33Å; Y243-K246 PolarHBondContact N-O 2.78Å; Y243-K246 PolarHBondContact O-N 2.91Å |
| 247 | Y | 98.2 | Very high | 97.5 | Very high | 65 Ų | 65 | 96.2 Ų | 96.2 | 26% | 0.255 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 136.8 | 179.5 | -51.6 | -84.6 | 0 | 0 | 0 | 108.7 | E216 P217 L222 H241 R242 | E216-Y247 HydrophobicContact CG-CD2 4.31Å; E216-Y247 HydrophobicContact CG-CE2 3.72Å; E216-Y247 WeakPolarHBondContact OE1-CE2 3.25Å; E216-Y247 PolarHBondContact OE1-OH 2.78Å; P217-Y247 HydrophobicContact CG-CD1 3.51Å; P217-Y247 HydrophobicContact CG-CD2 4.1Å; P217-Y247 HydrophobicContact CG-CE1 4Å; P217-Y247 HydrophobicContact CG-CG 3.54Å; L222-Y247 HydrophobicContact CD1-CD1 4.29Å; L222-Y247 HydrophobicContact CD1-CE1 4.05Å; L222-Y247 HydrophobicContact CD2-CD1 4.01Å; L222-Y247 HydrophobicContact CD2-CE1 4.46Å; H241-Y247 WeakPolarHBondContact O-CA 3.14Å; R242-Y247 HydrophobicContact CB-CD1 4.33Å; R242-Y247 HydrophobicContact CG-CD1 4.34Å; R242-Y247 HydrophobicContact CG-CE1 4.24Å; R242-Y247 PolarHBondContact NH1-OH 2.99Å; R242-Y247 PolarHBondContact NH2-OH 2.78Å |
| 248 | V | 97.9 | Very high | 97.5 | Very high | 80 Ų | 80 | 98.8 Ų | 98.8 | 49% | 0.485 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 121.6 | 179.4 | -177 | 0 | 0 | 0 | 0 | 107.9 | T240 H241 | T240-V248 WeakPolarHBondContact CA-O 3.41Å; H241-V248 PolarHBondContact N-O 2.93Å; H241-V248 PolarHBondContact O-N 3.01Å |
| 249 | T | 98.1 | Very high | 97.5 | Very high | 25 Ų | 25 | 103.7 Ų | 103.7 | 15% | 0.153 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 110.7 | 171.1 | -57.7 | 0 | 0 | 0 | 0 | 108.2 | I200 L201 L214 S238 T240 L251 | I200-T249 HydrophobicContact CG2-CG2 4.33Å; L201-T249 HydrophobicContact CD1-CG2 4.09Å; L201-T249 HydrophobicContact CD2-CG2 3.84Å; L201-T249 HydrophobicContact CG-CG2 4.04Å; L214-T249 HydrophobicContact CD1-CG2 4.23Å; L214-T249 WeakPolarHBondContact CD1-OG1 3.37Å; S238-T249 VanDerWaalsContact OG-CG2 3.3Å; S238-T249 WeakPolarHBondContact OG-CG2 3.28Å; T240-T249 PolarHBondContact OG1-OG1 2.83Å; T249-L251 HydrophobicContact CG2-CD1 4.24Å |
| 250 | T | 98 | Very high | 97.5 | Very high | 78 Ų | 78 | 108.9 Ų | 108.9 | 48% | 0.479 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 138.2 | 178.8 | -54.3 | 0 | 0 | 0 | 0 | 109.2 | S238 A239 | S238-T250 WeakPolarHBondContact CA-O 3.4Å; S238-T250 WeakPolarHBondContact CB-O 3.22Å; S238-T250 PolarHBondContact OG-O 2.91Å; A239-T250 PolarHBondContact N-O 2.98Å; A239-T250 PolarHBondContact O-N 3.08Å |
| 251 | L | 97.8 | Very high | 97.4 | Very high | 76 Ų | 76 | 115.7 Ų | 115.7 | 40% | 0.398 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 133 | 170 | -72.9 | 75.1 | 0 | 0 | 0 | 108.3 | L201 L237 T249 Y253 | L201-L251 HydrophobicContact CD1-CD1 3.93Å; L201-L251 HydrophobicContact CD1-CD2 4.24Å; L201-L251 HydrophobicContact CD1-CG 4.16Å; L201-L251 HydrophobicContact CD2-CD1 4.37Å; L237-L251 CarbonylContact O-C 3.55Å; L237-L251 WeakPolarHBondContact O-CA 3.46Å; T249-L251 HydrophobicContact CG2-CD1 4.24Å; L251-Y253 HydrophobicContact CB-CE2 4.15Å; L251-Y253 HydrophobicContact CD2-CE2 4.38Å |
| 252 | L | 97.8 | Very high | 97.3 | Very high | 99 Ų | 99 | 117.5 Ų | 117.5 | 52% | 0.518 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 118.8 | 175 | 176.1 | 64.7 | 0 | 0 | 0 | 109.1 | V236 L237 K254 | V236-L252 WeakPolarHBondContact CA-O 3.44Å; L237-L252 PolarHBondContact N-O 3.03Å; L237-L252 PolarHBondContact O-N 2.91Å; L252-K254 HydrophobicContact CG-CB 4.47Å |
| 253 | Y | 97.8 | Very high | 97.3 | Very high | 148 Ų | 148 | 117.5 Ų | 117.5 | 58% | 0.58 | 55% | 0.549 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 117.4 | 170.2 | -69.7 | -104.5 | 0 | 0 | 0 | 108 | V234 V236 L251 | V234-Y253 HydrophobicContact CG1-CD1 4.12Å; V236-Y253 HydrophobicContact CB-CD1 4.46Å; V236-Y253 HydrophobicContact CB-CE1 4.34Å; V236-Y253 HydrophobicContact CG1-CD1 4.27Å; V236-Y253 HydrophobicContact CG1-CD2 4.33Å; V236-Y253 HydrophobicContact CG1-CE1 3.93Å; V236-Y253 HydrophobicContact CG1-CE2 4Å; V236-Y253 HydrophobicContact CG1-CG 4.45Å; V236-Y253 HydrophobicContact CG2-CD1 3.48Å; V236-Y253 VanDerWaalsContact CG2-CD1 3.48Å; V236-Y253 HydrophobicContact CG2-CE1 3.43Å; V236-Y253 VanDerWaalsContact CG2-CE1 3.43Å; V236-Y253 HydrophobicContact CG2-CG 4.25Å; L251-Y253 HydrophobicContact CB-CE2 4.15Å; L251-Y253 HydrophobicContact CD2-CE2 4.38Å |
| 254 | K | 97.4 | Very high | 97.2 | Very high | 129 Ų | 129 | 114.8 Ų | 114.8 | 56% | 0.561 | 55% | 0.545 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 121.7 | -176.9 | -175.9 | 176.1 | 176.4 | 177.4 | 0 | 110.5 | M235 L252 | M235-K254 PolarHBondContact N-O 3.2Å; M235-K254 PolarHBondContact O-N 2.83Å; L252-K254 HydrophobicContact CG-CB 4.47Å |
| 255 | P | 96.6 | Very high | 97.3 | Very high | 103 Ų | 103 | 107.5 Ų | 107.5 | 67% | 0.669 | 53% | 0.527 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 144 | 170.1 | -22.4 | 33.7 | 0 | 0 | 0 | 111.7 | G233 | G233-P255 CarbonylContact O-C 3.59Å; G233-P255 WeakPolarHBondContact O-CA 3.41Å |
| 256 | I | 92.6 | Very high | 97.3 | Very high | 145 Ų | 145 | 100 Ų | 100 | 74% | 0.744 | 50% | 0.5 | S | S | * | . | trans | -111.4 | 0 | 174.2 | -57.7 | 162.3 | 0 | 0 | 0 | 109.6 | I230 G233 M235 | I230-I256 HydrophobicContact CB-CD1 4.37Å; I230-I256 HydrophobicContact CD1-CD1 3.61Å; I230-I256 HydrophobicContact CG1-CD1 3.81Å; I230-I256 HydrophobicContact CG2-CD1 3.62Å; G233-I256 PolarHBondContact O-N 3.02Å; M235-I256 HydrophobicContact CB-CD1 3.63Å; M235-I256 HydrophobicContact CB-CG1 3.9Å; M235-I256 HydrophobicContact CE-CD1 3.81Å; M235-I256 HydrophobicContact CE-CG1 4.21Å; M235-I256 HydrophobicContact CG-CD1 4.47Å |
Retrieved 256 of 256 residues in 199.3 ms
(Link to these results)