| 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 | 41.9 | Very low | 34 | Very low | 249 Ų | 249 | 149.5 Ų | 149.5 | 100% | 1.227 | 83% | 0.828 | S | S | * | * | 0 | 86.1 | 0 | -67.8 | 170.5 | 171.4 | 0 | 0 | 106 | |||||
| 2 | G | 35.1 | Very low | 33.8 | Very low | 63 Ų | 63 | 150.8 Ų | 150.8 | 65% | 0.649 | 83% | 0.831 | S | S | * | * | 92.4 | 86.7 | 82.4 | 0 | 0 | 0 | 0 | 0 | 108 | |||||
| 3 | T | 31.1 | Very low | 35.1 | Very low | 139 Ų | 139 | 147.2 Ų | 147.2 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | 57.6 | 135.3 | 98.3 | 60.6 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 4 | R | 31.8 | Very low | 34.6 | Very low | 220 Ų | 220 | 148.9 Ų | 148.9 | 83% | 0.83 | 83% | 0.825 | S | S | * | * | cis | -178.2 | 131.9 | 31.6 | -134.6 | 174.8 | -176.7 | -174.5 | 0.9 | 104 | ||||
| 5 | W | 32.2 | Very low | 34.8 | Very low | 239 Ų | 239 | 149.4 Ų | 149.4 | 91% | 0.905 | 82% | 0.824 | S | S | * | * | 48.7 | 125 | 73.1 | -89.1 | 30.8 | 0 | 0 | 0 | 116.8 | |||||
| 6 | S | 34.7 | Very low | 35.3 | Very low | 96 Ų | 96 | 146.3 Ų | 146.3 | 67% | 0.671 | 81% | 0.813 | S | S | * | * | trans | 135 | 142.2 | 141.3 | -69.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 7 | R | 36.8 | Very low | 34.9 | Very low | 224 Ų | 224 | 149.1 Ų | 149.1 | 85% | 0.845 | 82% | 0.819 | S | S | * | * | cis | -173.6 | 147.8 | 12.9 | -125.6 | 179 | 175.6 | -163.2 | -2.6 | 110.9 | ||||
| 8 | S | 33.9 | Very low | 34.6 | Very low | 112 Ų | 112 | 147.6 Ų | 147.6 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | 76 | 138.4 | 125.4 | -153 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 9 | G | 29.9 | Very low | 34.5 | Very low | 70 Ų | 70 | 150.1 Ų | 150.1 | 72% | 0.722 | 82% | 0.816 | S | S | * | * | cis | -156 | 164 | 28 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 10 | S | 34.5 | Very low | 34.7 | Very low | 114 Ų | 114 | 147.7 Ų | 147.7 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | -56.6 | 156.2 | 169 | 50.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 11 | S | 32 | Very low | 34.5 | Very low | 118 Ų | 118 | 149.6 Ų | 149.6 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | -158.8 | 143.6 | 77.4 | 39.7 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 12 | L | 31.6 | Very low | 34 | Very low | 166 Ų | 166 | 141.3 Ų | 141.3 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | trans | -93.3 | -173.1 | 169.1 | -86.2 | 169.1 | 0 | 0 | 0 | 110.4 | ||||
| 13 | P | 50.9 | Low | 33.7 | Very low | 103 Ų | 103 | 150.3 Ų | 150.3 | 67% | 0.669 | 81% | 0.805 | S | S | * | * | cis | -137.3 | 178.2 | -21.4 | 24.3 | -0.5 | 0 | 0 | 0 | 114.4 | ||||
| 14 | L | 28.8 | Very low | 33.8 | Very low | 172 Ų | 172 | 152.1 Ų | 152.1 | 90% | 0.901 | 81% | 0.808 | S | S | * | * | -174.5 | 141.9 | 118.7 | -92.9 | 168.2 | 0 | 0 | 0 | 112.3 | |||||
| 15 | L | 36.6 | Very low | 33.8 | Very low | 156 Ų | 156 | 146.3 Ų | 146.3 | 82% | 0.817 | 81% | 0.807 | S | S | * | * | trans | -74.6 | -170.9 | -168.8 | -85.8 | 161.2 | 0 | 0 | 0 | 115.4 | ||||
| 16 | P | 42.7 | Very low | 33.7 | Very low | 99 Ų | 99 | 138.7 Ų | 138.7 | 64% | 0.643 | 80% | 0.803 | S | S | * | * | -136.1 | 175.5 | -73.8 | 39.8 | -20.3 | 0 | 0 | 0 | 113.1 | |||||
| 17 | E | 28.3 | Very low | 33.6 | Very low | 195 Ų | 195 | 143.6 Ų | 143.6 | 91% | 0.911 | 82% | 0.815 | S | S | * | * | trans | -151.9 | 155.8 | 144 | -125.5 | -157.8 | 130.3 | 0 | 0 | 113.2 | ||||
| 18 | T | 29.3 | Very low | 33.5 | Very low | 122 Ų | 122 | 143.7 Ų | 143.7 | 75% | 0.748 | 82% | 0.815 | S | S | * | * | trans | -118.3 | 137 | -142 | -49.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 19 | K | 33.2 | Very low | 33.6 | Very low | 194 Ų | 194 | 145.9 Ų | 145.9 | 84% | 0.843 | 81% | 0.813 | S | S | * | * | trans | -81 | 163.3 | 161.7 | -123.5 | -172.1 | 175.3 | 177 | 0 | 108.6 | ||||
| 20 | P | 39.7 | Very low | 34.1 | Very low | 102 Ų | 102 | 148.6 Ų | 148.6 | 66% | 0.662 | 82% | 0.818 | S | S | * | * | cis | -156.4 | -173.3 | 36 | 38.3 | -12.2 | 0 | 0 | 0 | 118 | ||||
| 21 | E | 29.1 | Very low | 34.2 | Very low | 188 Ų | 188 | 149.7 Ų | 149.7 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | trans | 52.7 | 127.8 | 143.6 | -82.8 | -177.3 | 122.3 | 0 | 0 | 124.9 | ||||
| 22 | G | 31.1 | Very low | 34.7 | Very low | 75 Ų | 75 | 150.6 Ų | 150.6 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | 70 | 110.2 | 117.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 23 | R | 29.6 | Very low | 35.3 | Very low | 253 Ų | 253 | 149.9 Ų | 149.9 | 96% | 0.955 | 81% | 0.808 | S | S | * | * | trans | -144.1 | 125.8 | 158.3 | -84 | -169 | -173.3 | -177.5 | 2.2 | 113.1 | ||||
| 24 | L | 32.8 | Very low | 34.9 | Very low | 177 Ų | 177 | 149.7 Ų | 149.7 | 93% | 0.927 | 81% | 0.809 | S | S | * | * | trans | -131.6 | 147.5 | 149.9 | -161.7 | 81.1 | 0 | 0 | 0 | 108 | ||||
| 25 | A | 31.8 | Very low | 35.9 | Very low | 98 Ų | 98 | 149.5 Ų | 149.5 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | trans | 92.6 | 98.4 | 165 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 26 | G | 31.3 | Very low | 36.4 | Very low | 79 Ų | 79 | 147.9 Ų | 147.9 | 81% | 0.814 | 80% | 0.8 | S | S | * | * | 94.7 | 113.7 | 110.4 | 0 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 27 | H | 31 | Very low | 36.7 | Very low | 198 Ų | 198 | 146.5 Ų | 146.5 | 92% | 0.917 | 80% | 0.804 | S | S | * | * | trans | -154.3 | 149.3 | 138.5 | -149.1 | 26.5 | 0 | 0 | 0 | 112.8 | ||||
| 28 | R | 35 | Very low | 37.6 | Very low | 226 Ų | 226 | 143.4 Ų | 143.4 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | -84.1 | 164.3 | -168.6 | -99.3 | 171.5 | 160.9 | 139.5 | -6.9 | 113.2 | ||||
| 29 | E | 36 | Very low | 38.5 | Very low | 159 Ų | 159 | 144.8 Ų | 144.8 | 74% | 0.743 | 80% | 0.795 | S | S | * | * | trans | -45.6 | 167.8 | 179.3 | -64.5 | 171.3 | 118.9 | 0 | 0 | 117.6 | ||||
| 30 | P | 41.6 | Very low | 39.2 | Very low | 127 Ų | 127 | 147 Ų | 147 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | -132.1 | 164.5 | 100.8 | 38.8 | -29 | 0 | 0 | 0 | 114.9 | |||||
| 31 | D | 36.3 | Very low | 39.6 | Very low | 137 Ų | 137 | 152 Ų | 152 | 73% | 0.733 | 80% | 0.804 | S | S | * | * | trans | -70.5 | 165.6 | -164.2 | -54 | -73.5 | 0 | 0 | 0 | 117.1 | ||||
| 32 | N | 42 | Very low | 40.6 | Very low | 137 Ų | 137 | 151.2 Ų | 151.2 | 73% | 0.733 | 80% | 0.801 | S | S | * | * | trans | 89.1 | 96 | 147.4 | -159.8 | 35.5 | 0 | 0 | 0 | 117.2 | ||||
| 33 | D | 43.3 | Very low | 41.6 | Very low | 151 Ų | 151 | 155.4 Ų | 155.4 | 81% | 0.807 | 81% | 0.805 | S | S | * | * | -153.2 | 113.1 | 128.3 | -89.2 | -34.4 | 0 | 0 | 0 | 109.8 | L35 | D33-L35 PolarHBondContact O-N 2.89Å; D33-L35 VanDerWaalsContact O-N 3.15Å | |||
| 34 | S | 44.2 | Very low | 42.8 | Very low | 99 Ų | 99 | 149.6 Ų | 149.6 | 69% | 0.692 | 79% | 0.792 | S | S | * | * | trans | -49.4 | 108.4 | 170 | 169.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 35 | L | 49.8 | Very low | 43.9 | Very low | 167 Ų | 167 | 144.2 Ų | 144.2 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | trans | -108.5 | 58 | 163.1 | -73.3 | 168.7 | 0 | 0 | 0 | 109.3 | D33 G37 | D33-L35 PolarHBondContact O-N 2.89Å; D33-L35 VanDerWaalsContact O-N 3.15Å; L35-G37 PolarHBondContact O-N 3.28Å | ||
| 36 | D | 46.7 | Very low | 44.8 | Very low | 122 Ų | 122 | 148.4 Ų | 148.4 | 65% | 0.652 | 78% | 0.775 | S | S | * | * | trans | -61.6 | 99.1 | 149.7 | -107.2 | -15.9 | 0 | 0 | 0 | 106.2 | L38 | D36-L38 HydrophobicContact CB-CD1 4.47Å; D36-L38 HydrophobicContact CB-CG 4.33Å; D36-L38 PolarHBondContact O-N 3.22Å | ||
| 37 | G | 47.6 | Very low | 45.6 | Very low | 70 Ų | 70 | 152.9 Ų | 152.9 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | trans | -68.9 | 42.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L35 D39 | L35-G37 PolarHBondContact O-N 3.28Å; G37-D39 VanDerWaalsContact C-N 3.3Å | ||
| 38 | L | 47.7 | Very low | 46.6 | Very low | 131 Ų | 131 | 148.5 Ų | 148.5 | 69% | 0.686 | 76% | 0.762 | S | S | * | * | trans | -88.1 | 4.8 | 177.2 | -70 | -177.3 | 0 | 0 | 0 | 113.1 | D36 | D36-L38 HydrophobicContact CB-CD1 4.47Å; D36-L38 HydrophobicContact CB-CG 4.33Å; D36-L38 PolarHBondContact O-N 3.22Å | ||
| 39 | D | 48.6 | Very low | 47.3 | Very low | 150 Ų | 150 | 146 Ų | 146 | 80% | 0.802 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -118.7 | 21.4 | -176.1 | -136.3 | 17.2 | 0 | 0 | 0 | 114.1 | G37 | G37-D39 VanDerWaalsContact C-N 3.3Š|
| 40 | R | 48.7 | Very low | 48.3 | Very low | 241 Ų | 241 | 143.3 Ų | 143.3 | 91% | 0.909 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -129.4 | 32.2 | 172.6 | -146 | 175.1 | 179.5 | 154.6 | 1 | 113.1 | ||
| 41 | R | 48.2 | Very low | 49.1 | Very low | 206 Ų | 206 | 143.1 Ų | 143.1 | 78% | 0.777 | 74% | 0.736 | S | S | * | * | trans | -107.9 | 8.2 | -179.3 | -162.1 | 163.6 | 177.5 | 166.9 | -0.7 | 113.9 | ||||
| 42 | E | 49.2 | Very low | 49.9 | Very low | 173 Ų | 173 | 145.7 Ų | 145.7 | 81% | 0.808 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -103.2 | -4.2 | -174.7 | -61.2 | -173 | 161.1 | 0 | 0 | 114.5 | ||
| 43 | D | 51.3 | Low | 50.7 | Low | 162 Ų | 162 | 144.3 Ų | 144.3 | 87% | 0.866 | 74% | 0.738 | S | S | * | * | trans | -111.3 | 22.4 | 179.6 | -72.3 | -17.7 | 0 | 0 | 0 | 114.7 | A45 | D43-A45 PolarHBondContact O-N 3Š| ||
| 44 | I | 56.3 | Low | 51.1 | Low | 132 Ų | 132 | 139.1 Ų | 139.1 | 68% | 0.677 | 72% | 0.72 | S | S | * | * | trans | -84.6 | 100.2 | 166.2 | -58.5 | 171.2 | 0 | 0 | 0 | 106.9 | Q46 | I44-Q46 PolarHBondContact O-N 3.29Š| ||
| 45 | A | 55.1 | Low | 51.7 | Low | 64 Ų | 64 | 146.6 Ų | 146.6 | 53% | 0.529 | 73% | 0.733 | S | S | . | * | trans | -48.5 | 108.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | D43 F47 | D43-A45 PolarHBondContact O-N 3Å; A45-F47 VanDerWaalsContact C-N 3.27Å; A45-F47 HydrophobicContact CB-CD2 4.22Å; A45-F47 HydrophobicContact CB-CE2 3.66Å; A45-F47 HydrophobicContact CB-CZ 4Å; A45-F47 VanDerWaalsContact O-CD2 3.29Å; A45-F47 WeakPolarHBondContact O-CD2 3.49Å; A45-F47 PolarHBondContact O-N 2.81Å | ||
| 46 | Q | 51.4 | Low | 52 | Low | 185 Ų | 185 | 146.2 Ų | 146.2 | 86% | 0.864 | 73% | 0.732 | S | S | * | * | trans | -77.1 | 84.2 | 179.9 | -169.9 | 132.7 | -10.2 | 0 | 0 | 108.1 | I44 P48 | I44-Q46 PolarHBondContact O-N 3.29Å; Q46-P48 WeakPolarHBondContact O-CD 3.29Å | ||
| 47 | F | 46.8 | Very low | 52.8 | Low | 173 Ų | 173 | 143.7 Ų | 143.7 | 76% | 0.759 | 72% | 0.724 | S | S | * | * | trans | -66.3 | 124.5 | 169.3 | -65.7 | -76.9 | 0 | 0 | 0 | 108 | A45 Y49 | A45-F47 VanDerWaalsContact C-N 3.27Å; A45-F47 HydrophobicContact CB-CD2 4.22Å; A45-F47 HydrophobicContact CB-CE2 3.66Å; A45-F47 HydrophobicContact CB-CZ 4Å; A45-F47 VanDerWaalsContact O-CD2 3.29Å; A45-F47 WeakPolarHBondContact O-CD2 3.49Å; A45-F47 PolarHBondContact O-N 2.81Å; F47-Y49 PolarHBondContact O-N 2.76Å; F47-Y49 VanDerWaalsContact O-N 3.1Å | ||
| 48 | P | 51.9 | Low | 53.5 | Low | 106 Ų | 106 | 148.2 Ų | 148.2 | 69% | 0.688 | 73% | 0.73 | S | S | * | * | trans | -60.3 | 120.3 | 174.3 | 21.9 | -28.3 | 0 | 0 | 0 | 108.1 | Q46 V50 | Q46-P48 WeakPolarHBondContact O-CD 3.29Å; P48-V50 PolarHBondContact O-N 2.96Å; P48-V50 VanDerWaalsContact O-N 3.12Å | ||
| 49 | Y | 49.8 | Very low | 54.2 | Low | 173 Ų | 173 | 146.4 Ų | 146.4 | 68% | 0.678 | 72% | 0.724 | S | S | * | * | trans | -61.3 | 114.6 | 167.5 | 179.4 | -106.7 | 0 | 0 | 0 | 107.5 | F47 E51 | F47-Y49 PolarHBondContact O-N 2.76Å; F47-Y49 VanDerWaalsContact O-N 3.1Å; Y49-E51 HydrophobicContact CD1-CG 3.93Å; Y49-E51 HydrophobicContact CE1-CG 3.25Å; Y49-E51 WeakPolarHBondContact CE1-OE1 3.43Å | ||
| 50 | V | 57.8 | Low | 54.5 | Low | 103 Ų | 103 | 142.3 Ų | 142.3 | 62% | 0.624 | 71% | 0.707 | S | S | * | * | trans | -107.3 | 113 | 175.9 | -90.9 | 0 | 0 | 0 | 0 | 108.4 | P48 F52 | P48-V50 PolarHBondContact O-N 2.96Å; P48-V50 VanDerWaalsContact O-N 3.12Å; V50-F52 PolarHBondContact O-N 2.86Å; V50-F52 VanDerWaalsContact O-N 3.12Å | ||
| 51 | E | 59.4 | Low | 55.2 | Low | 123 Ų | 123 | 136.1 Ų | 136.1 | 58% | 0.575 | 70% | 0.698 | S | S | * | * | trans | -73.2 | 98.6 | 170.4 | -68.1 | 179.3 | 177.2 | 0 | 0 | 108.7 | Y49 T53 | Y49-E51 HydrophobicContact CD1-CG 3.93Å; Y49-E51 HydrophobicContact CE1-CG 3.25Å; Y49-E51 WeakPolarHBondContact CE1-OE1 3.43Å; E51-T53 VanDerWaalsContact C-N 3.26Å; E51-T53 PolarHBondContact O-N 3.46Å | ||
| 52 | F | 52.6 | Low | 55.8 | Low | 191 Ų | 191 | 130.4 Ų | 130.4 | 84% | 0.838 | 69% | 0.686 | S | S | * | * | trans | -77.6 | 80.1 | 165.3 | -99.6 | -91.5 | 0 | 0 | 0 | 108.6 | V50 G54 | V50-F52 PolarHBondContact O-N 2.86Å; V50-F52 VanDerWaalsContact O-N 3.12Å; F52-G54 PolarHBondContact O-N 3.47Å | ||
| 53 | T | 57.5 | Low | 56.4 | Low | 109 Ų | 109 | 123.5 Ų | 123.5 | 67% | 0.669 | 66% | 0.657 | S | S | * | * | trans | -72.9 | 82.2 | 166.8 | 57.5 | 0 | 0 | 0 | 0 | 108.5 | E51 | E51-T53 VanDerWaalsContact C-N 3.26Å; E51-T53 PolarHBondContact O-N 3.46Å | ||
| 54 | G | 53.5 | Low | 57.1 | Low | 42 Ų | 42 | 123.1 Ų | 123.1 | 43% | 0.433 | 65% | 0.65 | S | S | . | * | trans | -62.7 | 144.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | F52 D56 S57 | F52-G54 PolarHBondContact O-N 3.47Å; G54-D56 PolarHBondContact O-N 3.06Å; G54-S57 PolarHBondContact O-N 2.83Å; G54-S57 PolarHBondContact O-OG 3.12Å | ||
| 55 | R | 56.7 | Low | 57.7 | Low | 256 Ų | 256 | 118.5 Ų | 118.5 | 97% | 0.966 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.9 | -6.6 | -171.9 | -78.2 | -176.7 | -175.4 | 176.4 | 1.7 | 116.2 | ||
| 56 | D | 56.2 | Low | 58.2 | Low | 158 Ų | 158 | 119.8 Ų | 119.8 | 85% | 0.845 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.2 | 23.1 | 177.8 | -59.2 | -45.6 | 0 | 0 | 0 | 113.7 | G54 I58 | G54-D56 PolarHBondContact O-N 3.06Å; D56-I58 PolarHBondContact O-N 3.39Å |
| 57 | S | 62 | Low | 58.7 | Low | 69 Ų | 69 | 114 Ų | 114 | 48% | 0.483 | 63% | 0.626 | S | S | . | * | trans | -76.8 | 108.2 | 177.4 | 65 | 0 | 0 | 0 | 0 | 111.2 | G54 T59 | G54-S57 PolarHBondContact O-N 2.83Å; G54-S57 PolarHBondContact O-OG 3.12Å; S57-T59 PolarHBondContact O-N 3.42Å | ||
| 58 | I | 63 | Low | 59.3 | Low | 165 Ų | 165 | 115.7 Ų | 115.7 | 85% | 0.846 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 117 | 169.9 | -64.2 | 162.7 | 0 | 0 | 0 | 108.1 | D56 C60 | D56-I58 PolarHBondContact O-N 3.39Å; I58-C60 PolarHBondContact O-N 3.29Å |
| 59 | T | 63.1 | Low | 59.7 | Low | 94 Ų | 94 | 116.6 Ų | 116.6 | 58% | 0.577 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 128.8 | 176.7 | 49.7 | 0 | 0 | 0 | 0 | 110.1 | S57 | S57-T59 PolarHBondContact O-N 3.42Š|
| 60 | C | 54 | Low | 60.1 | Low | 64 Ų | 64 | 112.4 Ų | 112.4 | 43% | 0.432 | 62% | 0.619 | S | S | . | * | P | Polyproline II helix | trans | -60.4 | 122.5 | 176.7 | -174.6 | 0 | 0 | 0 | 0 | 109.4 | I58 T62 C63 Q64 | I58-C60 PolarHBondContact O-N 3.29Å; C60-T62 PolarHBondContact O-N 3.1Å; C60-T62 VanDerWaalsContact O-N 3.12Å; C60-C63 PolarHBondContact O-N 3.06Å; C60-Q64 VanDerWaalsContact O-CA 3.29Å; C60-Q64 WeakPolarHBondContact O-CA 3.24Å; C60-Q64 PolarHBondContact O-N 3.12Å |
| 61 | P | 63.1 | Low | 60.1 | Low | 110 Ų | 110 | 111.2 Ų | 111.2 | 71% | 0.714 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -22.8 | -172.4 | 24 | -33.5 | 0 | 0 | 0 | 113 | ||
| 62 | T | 61.9 | Low | 59.9 | Low | 86 Ų | 86 | 111.1 Ų | 111.1 | 53% | 0.528 | 62% | 0.623 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.8 | -33.1 | -175.3 | -39.7 | 0 | 0 | 0 | 0 | 113.8 | C60 | C60-T62 PolarHBondContact O-N 3.1Å; C60-T62 VanDerWaalsContact O-N 3.12Å |
| 63 | C | 62 | Low | 60 | Low | 29 Ų | 29 | 110.9 Ų | 110.9 | 20% | 0.196 | 62% | 0.624 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -118.1 | -1 | 179.9 | 63 | 0 | 0 | 0 | 0 | 113.3 | C60 G65 T66 | C60-C63 PolarHBondContact O-N 3.06Å; C63-G65 PolarHBondContact O-N 3.25Å; C63-T66 PolarHBondContact O-N 2.97Å; C63-T66 PolarHBondContact O-OG1 3.12Å |
| 64 | Q | 65.3 | Low | 59.8 | Low | 154 Ų | 154 | 111.5 Ų | 111.5 | 72% | 0.72 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 47.4 | 29.2 | -178.4 | -60.3 | -175.6 | 8.5 | 0 | 0 | 113.8 | C60 T66 | C60-Q64 VanDerWaalsContact O-CA 3.29Å; C60-Q64 WeakPolarHBondContact O-CA 3.24Å; C60-Q64 PolarHBondContact O-N 3.12Å; Q64-T66 VanDerWaalsContact C-N 3.32Å; Q64-T66 PolarHBondContact O-N 3.43Å |
| 65 | G | 67.7 | Low | 59.7 | Low | 35 Ų | 35 | 113.3 Ų | 113.3 | 36% | 0.361 | 62% | 0.622 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 81.8 | -3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | C63 G67 | C63-G65 PolarHBondContact O-N 3.25Å; G65-G67 PolarHBondContact O-N 2.91Å |
| 66 | T | 65.9 | Low | 59.3 | Low | 91 Ų | 91 | 109.3 Ų | 109.3 | 56% | 0.558 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -85.4 | -4.2 | -175.3 | 65.7 | 0 | 0 | 0 | 0 | 114.8 | C63 Q64 R68 | C63-T66 PolarHBondContact O-N 2.97Å; C63-T66 PolarHBondContact O-OG1 3.12Å; Q64-T66 VanDerWaalsContact C-N 3.32Å; Q64-T66 PolarHBondContact O-N 3.43Å; T66-R68 PolarHBondContact O-N 3.23Å; T66-R68 PolarHBondContact OG1-O 3.3Å |
| 67 | G | 62.8 | Low | 59.1 | Low | 64 Ų | 64 | 109.1 Ų | 109.1 | 66% | 0.66 | 61% | 0.614 | S | S | * | * | S | Bend | trans | 65 | 1.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | G65 | G65-G67 PolarHBondContact O-N 2.91Š|
| 68 | R | 59.4 | Low | 58.6 | Low | 208 Ų | 208 | 111.1 Ų | 111.1 | 79% | 0.785 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -121.4 | 130.9 | 175.6 | -63.7 | -170 | 179.4 | -170.8 | 1.1 | 109.3 | T66 P70 | T66-R68 PolarHBondContact O-N 3.23Å; T66-R68 PolarHBondContact OG1-O 3.3Å; R68-P70 WeakPolarHBondContact O-CD 3.47Å |
| 69 | I | 60 | Low | 57.9 | Low | 124 Ų | 124 | 109.4 Ų | 109.4 | 64% | 0.636 | 62% | 0.616 | S | S | * | * | trans | -85.7 | 116.7 | 176 | -58 | 160.9 | 0 | 0 | 0 | 106.2 | S71 | I69-S71 PolarHBondContact O-N 3.4Š| ||
| 70 | P | 58.9 | Low | 57.7 | Low | 85 Ų | 85 | 109 Ų | 109 | 55% | 0.552 | 62% | 0.622 | S | S | * | * | trans | -63.7 | 112.3 | -179.4 | 22.8 | -30 | 0 | 0 | 0 | 109.8 | R68 V72 | R68-P70 WeakPolarHBondContact O-CD 3.47Å; P70-V72 PolarHBondContact O-N 2.98Å | ||
| 71 | S | 56.8 | Low | 57.7 | Low | 78 Ų | 78 | 114.3 Ų | 114.3 | 55% | 0.545 | 65% | 0.645 | S | S | . | * | trans | -80.9 | 8.3 | -177.3 | 52.8 | 0 | 0 | 0 | 0 | 114 | I69 V75 | I69-S71 PolarHBondContact O-N 3.4Å; S71-V75 VanDerWaalsContact O-CG2 3.24Å; S71-V75 WeakPolarHBondContact O-CG2 3.11Å | ||
| 72 | V | 55.9 | Low | 57.3 | Low | 122 Ų | 122 | 114.1 Ų | 114.1 | 74% | 0.739 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -90.3 | -23.6 | -162 | -176.8 | 0 | 0 | 0 | 0 | 113 | P70 | P70-V72 PolarHBondContact O-N 2.98Š|
| 73 | E | 53.8 | Low | 56.7 | Low | 185 Ų | 185 | 113 Ų | 113 | 86% | 0.864 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -134.3 | -5.8 | -177.8 | -83.5 | 154.4 | -173.8 | 0 | 0 | 115.3 | ||
| 74 | Q | 54.4 | Low | 56 | Low | 122 Ų | 122 | 123.2 Ų | 123.2 | 57% | 0.57 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -131.2 | 9.5 | -171.5 | -86.1 | 164.6 | -14.1 | 0 | 0 | 116 | E77 L78 | Q74-E77 PolarHBondContact O-N 2.86Å; Q74-L78 HydrophobicContact CB-CD1 4.13Å; Q74-L78 WeakPolarHBondContact O-CD1 3.44Å; Q74-L78 PolarHBondContact O-N 3.06Å |
| 75 | V | 51.4 | Low | 55.4 | Low | 81 Ų | 81 | 121 Ų | 121 | 49% | 0.491 | 67% | 0.669 | S | S | . | * | G | 310 helix | trans | -77.9 | -21.6 | 177.1 | -76.2 | 0 | 0 | 0 | 0 | 114.1 | S71 E77 L78 | S71-V75 VanDerWaalsContact O-CG2 3.24Å; S71-V75 WeakPolarHBondContact O-CG2 3.11Å; V75-E77 PolarHBondContact O-N 3.32Å; V75-L78 PolarHBondContact O-N 3.21Å |
| 76 | N | 48.6 | Very low | 54.9 | Low | 172 Ų | 172 | 122.1 Ų | 122.1 | 92% | 0.92 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -73.4 | -4.5 | 171.3 | -72.2 | -10.8 | 0 | 0 | 0 | 112.7 | ||
| 77 | E | 50.6 | Low | 54.3 | Low | 154 Ų | 154 | 125.5 Ų | 125.5 | 72% | 0.72 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -124.3 | 14.1 | 178.9 | -154.4 | -177.1 | 163.9 | 0 | 0 | 112.1 | Q74 V75 | Q74-E77 PolarHBondContact O-N 2.86Å; V75-E77 PolarHBondContact O-N 3.32Å |
| 78 | L | 51.2 | Low | 53.9 | Low | 110 Ų | 110 | 133.3 Ų | 133.3 | 58% | 0.576 | 69% | 0.685 | S | S | * | * | trans | -136 | 68.1 | 173.3 | -79 | 102 | 0 | 0 | 0 | 111.1 | Q74 V75 | Q74-L78 HydrophobicContact CB-CD1 4.13Å; Q74-L78 WeakPolarHBondContact O-CD1 3.44Å; Q74-L78 PolarHBondContact O-N 3.06Å; V75-L78 PolarHBondContact O-N 3.21Å | ||
| 79 | V | 48.4 | Very low | 53.6 | Low | 130 Ų | 130 | 129 Ų | 129 | 79% | 0.788 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -111 | 107.9 | 150.7 | 177.7 | 0 | 0 | 0 | 0 | 105.7 | L81 | V79-L81 PolarHBondContact O-N 2.94Š|
| 80 | A | 59 | Low | 53.3 | Low | 85 Ų | 85 | 128.2 Ų | 128.2 | 70% | 0.702 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 40.2 | 74.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | I82 | A80-I82 PolarHBondContact O-N 2.87Š|
| 81 | L | 55.4 | Low | 53.5 | Low | 175 Ų | 175 | 127.1 Ų | 127.1 | 92% | 0.916 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 27 | 29 | 154.2 | -73.8 | 169.3 | 0 | 0 | 0 | 120.6 | V79 | V79-L81 PolarHBondContact O-N 2.94Š|
| 82 | I | 53.4 | Low | 53.8 | Low | 106 Ų | 106 | 129.7 Ų | 129.7 | 54% | 0.544 | 67% | 0.667 | S | S | . | * | trans | -123.3 | 96.9 | 169.3 | -55.4 | 174.9 | 0 | 0 | 0 | 104.6 | A80 Y84 L89 | A80-I82 PolarHBondContact O-N 2.87Å; I82-Y84 PolarHBondContact O-N 2.89Å; I82-L89 HydrophobicContact CG2-CD1 4.12Å; I82-L89 HydrophobicContact CG2-CD2 4.15Å | ||
| 83 | P | 48.6 | Very low | 54.6 | Low | 62 Ų | 62 | 132.7 Ų | 132.7 | 40% | 0.403 | 67% | 0.665 | S | S | . | * | trans | -55.2 | 135.2 | 177.9 | 20.3 | -28.6 | 0 | 0 | 0 | 109.1 | S85 D86 | P83-S85 PolarHBondContact O-N 2.61Å; P83-D86 HydrophobicContact CG-CB 4Å; P83-D86 WeakPolarHBondContact O-CB 3.35Å; P83-D86 PolarHBondContact O-N 3.47Å | ||
| 84 | Y | 48.7 | Very low | 55.8 | Low | 244 Ų | 244 | 127.3 Ų | 127.3 | 96% | 0.957 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | -18.2 | 178 | -155.3 | -90.9 | 0 | 0 | 0 | 112.1 | I82 | I82-Y84 PolarHBondContact O-N 2.89Š|
| 85 | S | 53 | Low | 57 | Low | 108 Ų | 108 | 127.6 Ų | 127.6 | 76% | 0.755 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | 22.5 | 176 | 63.1 | 0 | 0 | 0 | 0 | 114.1 | P83 Q87 | P83-S85 PolarHBondContact O-N 2.61Å; S85-Q87 PolarHBondContact O-N 3.42Å |
| 86 | D | 57.2 | Low | 58.7 | Low | 59 Ų | 59 | 128.5 Ų | 128.5 | 32% | 0.316 | 65% | 0.646 | S | S | . | * | trans | -68.5 | 115.8 | 178 | -144.6 | -19 | 0 | 0 | 0 | 110.3 | P83 R88 L89 | P83-D86 HydrophobicContact CG-CB 4Å; P83-D86 WeakPolarHBondContact O-CB 3.35Å; P83-D86 PolarHBondContact O-N 3.47Å; D86-R88 PolarHBondContact O-N 3.47Å; D86-L89 HydrophobicContact CB-CB 4.5Å; D86-L89 WeakPolarHBondContact O-CB 3.29Å; D86-L89 PolarHBondContact O-N 3.17Å | ||
| 87 | Q | 52.8 | Low | 60.6 | Low | 161 Ų | 161 | 127.3 Ų | 127.3 | 75% | 0.752 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -14.1 | -175 | -152.8 | 167.7 | 13.2 | 0 | 0 | 112.3 | S85 | S85-Q87 PolarHBondContact O-N 3.42Š|
| 88 | R | 54 | Low | 62.5 | Low | 228 Ų | 228 | 124 Ų | 124 | 86% | 0.86 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -27.5 | 168.4 | -67.7 | -163 | 80.2 | -160.6 | 4.7 | 113.7 | D86 Q90 | D86-R88 PolarHBondContact O-N 3.47Å; R88-Q90 VanDerWaalsContact C-N 3.33Å |
| 89 | L | 53.2 | Low | 64.4 | Low | 118 Ų | 118 | 123.2 Ų | 123.2 | 62% | 0.618 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -83.7 | -8.2 | 178.1 | -106.6 | 73.5 | 0 | 0 | 0 | 113.3 | I82 D86 P91 | I82-L89 HydrophobicContact CG2-CD1 4.12Å; I82-L89 HydrophobicContact CG2-CD2 4.15Å; D86-L89 HydrophobicContact CB-CB 4.5Å; D86-L89 WeakPolarHBondContact O-CB 3.29Å; D86-L89 PolarHBondContact O-N 3.17Å; L89-P91 WeakPolarHBondContact O-CD 3.06Å |
| 90 | Q | 54.3 | Low | 66.6 | Low | 107 Ų | 107 | 121.6 Ų | 121.6 | 50% | 0.5 | 61% | 0.606 | S | S | . | * | trans | -111.6 | 74.4 | -179.2 | -157.1 | -179.5 | 79.4 | 0 | 0 | 110.5 | R88 Q92 | R88-Q90 VanDerWaalsContact C-N 3.33Å; Q90-Q92 PolarHBondContact O-N 3.09Å | ||
| 91 | P | 62.3 | Low | 68.3 | Low | 62 Ų | 62 | 120.9 Ų | 120.9 | 40% | 0.403 | 60% | 0.595 | S | S | . | * | trans | -79.8 | 94.9 | -173.8 | 38.8 | -40 | 0 | 0 | 0 | 108.3 | L89 R93 T94 K95 | L89-P91 WeakPolarHBondContact O-CD 3.06Å; P91-R93 PolarHBondContact O-N 3.33Å; P91-T94 WeakPolarHBondContact CB-OG1 3.04Å; P91-T94 WeakPolarHBondContact CG-OG1 2.99Å; P91-T94 PolarHBondContact O-N 3.47Å; P91-T94 VanDerWaalsContact O-N 3.09Å; P91-T94 PolarHBondContact O-OG1 3.43Å; P91-K95 PolarHBondContact O-N 3.07Å | ||
| 92 | Q | 63.5 | Low | 70.3 | Confident | 133 Ų | 133 | 116.2 Ų | 116.2 | 62% | 0.621 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -57.8 | -31.2 | -179.4 | -64.7 | -173.6 | -6.3 | 0 | 0 | 111.8 | Q90 L96 | Q90-Q92 PolarHBondContact O-N 3.09Å; Q92-L96 PolarHBondContact O-N 3.44Å |
| 93 | R | 72.8 | Confident | 72.4 | Confident | 184 Ų | 184 | 114.3 Ų | 114.3 | 69% | 0.694 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -69.8 | -39.1 | 176.5 | -61.3 | -66.6 | -178.6 | 176.9 | -1.6 | 112.4 | P91 K95 L96 Y97 | P91-R93 PolarHBondContact O-N 3.33Å; R93-K95 PolarHBondContact O-N 3.26Å; R93-L96 WeakPolarHBondContact O-CB 2.95Å; R93-L96 PolarHBondContact O-N 2.93Å; R93-Y97 HydrophobicContact CB-CD2 4.36Å; R93-Y97 HydrophobicContact CB-CE2 3.94Å; R93-Y97 WeakPolarHBondContact O-CD2 3.48Å; R93-Y97 PolarHBondContact O-N 3.18Å |
| 94 | T | 78.7 | Confident | 74.7 | Confident | 72 Ų | 72 | 115.4 Ų | 115.4 | 44% | 0.442 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -68.4 | -34.2 | 179.2 | -16.3 | 0 | 0 | 0 | 0 | 112.2 | P91 L96 Y97 V98 | P91-T94 WeakPolarHBondContact CB-OG1 3.04Å; P91-T94 WeakPolarHBondContact CG-OG1 2.99Å; P91-T94 PolarHBondContact O-N 3.47Å; P91-T94 VanDerWaalsContact O-N 3.09Å; P91-T94 PolarHBondContact O-OG1 3.43Å; T94-L96 VanDerWaalsContact C-N 3.32Å; T94-L96 PolarHBondContact O-N 3.31Å; T94-Y97 PolarHBondContact O-N 2.95Å; T94-V98 WeakPolarHBondContact O-CB 3.3Å; T94-V98 VanDerWaalsContact O-CG2 3.23Å; T94-V98 WeakPolarHBondContact O-CG2 3.29Å; T94-V98 PolarHBondContact O-N 3.28Å |
| 95 | K | 81 | Confident | 77 | Confident | 129 Ų | 129 | 107.9 Ų | 107.9 | 56% | 0.561 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -59 | -44.7 | 170.7 | -66.1 | -175.5 | -179.7 | -178.6 | 0 | 111.3 | P91 R93 V98 V99 | P91-K95 PolarHBondContact O-N 3.07Å; R93-K95 PolarHBondContact O-N 3.26Å; K95-V98 PolarHBondContact O-N 3.07Å; K95-V99 VanDerWaalsContact O-CG2 3.3Å; K95-V99 WeakPolarHBondContact O-CG2 3.45Å; K95-V99 PolarHBondContact O-N 3.03Å |
| 96 | L | 85.7 | Confident | 79.1 | Confident | 99 Ų | 99 | 107.3 Ų | 107.3 | 52% | 0.518 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.6 | -42.6 | 176.2 | -178 | 136.7 | 0 | 0 | 0 | 112.2 | Q92 R93 T94 V99 L100 | Q92-L96 PolarHBondContact O-N 3.44Å; R93-L96 WeakPolarHBondContact O-CB 2.95Å; R93-L96 PolarHBondContact O-N 2.93Å; T94-L96 VanDerWaalsContact C-N 3.32Å; T94-L96 PolarHBondContact O-N 3.31Å; L96-V99 PolarHBondContact O-N 3.37Å; L96-L100 WeakPolarHBondContact O-CB 3.49Å; L96-L100 PolarHBondContact O-N 2.89Å |
| 97 | Y | 88.6 | Confident | 80.9 | Confident | 148 Ų | 148 | 109.2 Ų | 109.2 | 58% | 0.58 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.7 | -39.8 | 176.1 | -69.1 | -62.3 | 0 | 0 | 0 | 112.8 | R93 T94 L100 S101 | R93-Y97 HydrophobicContact CB-CD2 4.36Å; R93-Y97 HydrophobicContact CB-CE2 3.94Å; R93-Y97 WeakPolarHBondContact O-CD2 3.48Å; R93-Y97 PolarHBondContact O-N 3.18Å; T94-Y97 PolarHBondContact O-N 2.95Å; Y97-L100 PolarHBondContact O-N 2.91Å; Y97-S101 WeakPolarHBondContact O-CB 3.32Å; Y97-S101 PolarHBondContact O-N 2.85Å; Y97-S101 PolarHBondContact O-OG 3.44Å |
| 98 | V | 91.3 | Very high | 83 | Confident | 84 Ų | 84 | 103.9 Ų | 103.9 | 51% | 0.509 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.7 | -43.7 | 176.5 | 172.5 | 0 | 0 | 0 | 0 | 111 | T94 K95 S101 V102 | T94-V98 WeakPolarHBondContact O-CB 3.3Å; T94-V98 VanDerWaalsContact O-CG2 3.23Å; T94-V98 WeakPolarHBondContact O-CG2 3.29Å; T94-V98 PolarHBondContact O-N 3.28Å; K95-V98 PolarHBondContact O-N 3.07Å; V98-S101 PolarHBondContact O-N 2.94Å; V98-S101 PolarHBondContact O-OG 3.42Å; V98-V102 VanDerWaalsContact O-CG2 3.29Å; V98-V102 WeakPolarHBondContact O-CG2 3.23Å; V98-V102 PolarHBondContact O-N 2.87Å |
| 99 | V | 91.6 | Very high | 85.1 | Confident | 93 Ų | 93 | 96 Ų | 96 | 56% | 0.564 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.1 | -43.7 | 175.8 | 171.7 | 0 | 0 | 0 | 0 | 110.7 | K95 L96 S101 V102 V103 | K95-V99 VanDerWaalsContact O-CG2 3.3Å; K95-V99 WeakPolarHBondContact O-CG2 3.45Å; K95-V99 PolarHBondContact O-N 3.03Å; L96-V99 PolarHBondContact O-N 3.37Å; V99-S101 VanDerWaalsContact C-N 3.33Å; V99-S101 PolarHBondContact O-N 3.43Å; V99-V102 PolarHBondContact O-N 2.9Å; V99-V103 HydrophobicContact CG1-CG2 4.41Å; V99-V103 VanDerWaalsContact O-CG2 3.32Å; V99-V103 WeakPolarHBondContact O-CG2 3.33Å; V99-V103 PolarHBondContact O-N 3.31Å |
| 100 | L | 93.8 | Very high | 87.1 | Confident | 96 Ų | 96 | 95.4 Ų | 95.4 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.2 | -42.4 | 177.4 | -175.2 | 67.5 | 0 | 0 | 0 | 111.4 | L96 Y97 V103 V104 | L96-L100 WeakPolarHBondContact O-CB 3.49Å; L96-L100 PolarHBondContact O-N 2.89Å; Y97-L100 PolarHBondContact O-N 2.91Å; L100-V103 PolarHBondContact O-N 2.89Å; L100-V104 WeakPolarHBondContact O-CB 3.29Å; L100-V104 VanDerWaalsContact O-CG2 3.29Å; L100-V104 WeakPolarHBondContact O-CG2 3.21Å; L100-V104 PolarHBondContact O-N 3.5Å |
| 101 | S | 95.1 | Very high | 89 | Confident | 70 Ų | 70 | 94.8 Ų | 94.8 | 49% | 0.49 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.2 | -40.9 | 178.2 | 72.2 | 0 | 0 | 0 | 0 | 111.9 | Y97 V98 V99 V104 C105 | Y97-S101 WeakPolarHBondContact O-CB 3.32Å; Y97-S101 PolarHBondContact O-N 2.85Å; Y97-S101 PolarHBondContact O-OG 3.44Å; V98-S101 PolarHBondContact O-N 2.94Å; V98-S101 PolarHBondContact O-OG 3.42Å; V99-S101 VanDerWaalsContact C-N 3.33Å; V99-S101 PolarHBondContact O-N 3.43Å; S101-V104 PolarHBondContact O-N 3.33Å; S101-C105 VanDerWaalsContact O-CB 3.31Å; S101-C105 WeakPolarHBondContact O-CB 3.4Å; S101-C105 PolarHBondContact O-N 3.31Å |
| 102 | V | 96.8 | Very high | 90.5 | Very high | 78 Ų | 78 | 95.9 Ų | 95.9 | 47% | 0.473 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.4 | -46.2 | 174.1 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | V98 V99 C105 L106 | V98-V102 VanDerWaalsContact O-CG2 3.29Å; V98-V102 WeakPolarHBondContact O-CG2 3.23Å; V98-V102 PolarHBondContact O-N 2.87Å; V99-V102 PolarHBondContact O-N 2.9Å; V102-C105 PolarHBondContact O-N 3.43Å; V102-L106 HydrophobicContact CG1-CD1 4.11Å; V102-L106 HydrophobicContact CG1-CG 4.44Å; V102-L106 WeakPolarHBondContact O-CG 3.5Å; V102-L106 PolarHBondContact O-N 2.79Å |
| 103 | V | 96.8 | Very high | 91.8 | Very high | 66 Ų | 66 | 92.2 Ų | 92.2 | 40% | 0.4 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.1 | -46 | 178.4 | 171 | 0 | 0 | 0 | 0 | 111.4 | V99 L100 C105 L106 L107 | V99-V103 HydrophobicContact CG1-CG2 4.41Å; V99-V103 VanDerWaalsContact O-CG2 3.32Å; V99-V103 WeakPolarHBondContact O-CG2 3.33Å; V99-V103 PolarHBondContact O-N 3.31Å; L100-V103 PolarHBondContact O-N 2.89Å; V103-C105 VanDerWaalsContact C-N 3.32Å; V103-C105 PolarHBondContact O-N 3.43Å; V103-L106 PolarHBondContact O-N 3.4Å; V103-L107 HydrophobicContact CG1-CD1 3.97Å; V103-L107 HydrophobicContact CG1-CG 4.37Å; V103-L107 WeakPolarHBondContact O-CB 3.37Å; V103-L107 VanDerWaalsContact O-CG 3.3Å; V103-L107 WeakPolarHBondContact O-CG 3.46Å; V103-L107 PolarHBondContact O-N 3.28Å |
| 104 | V | 96.9 | Very high | 92.6 | Very high | 85 Ų | 85 | 88.4 Ų | 88.4 | 52% | 0.515 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62 | -41.3 | 177.6 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | L100 S101 L107 A108 | L100-V104 WeakPolarHBondContact O-CB 3.29Å; L100-V104 VanDerWaalsContact O-CG2 3.29Å; L100-V104 WeakPolarHBondContact O-CG2 3.21Å; L100-V104 PolarHBondContact O-N 3.5Å; S101-V104 PolarHBondContact O-N 3.33Å; V104-L107 PolarHBondContact O-N 3.44Å; V104-A108 WeakPolarHBondContact O-CB 3.5Å; V104-A108 PolarHBondContact O-N 2.9Å |
| 105 | C | 96.8 | Very high | 93.1 | Very high | 86 Ų | 86 | 89.5 Ų | 89.5 | 58% | 0.581 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.8 | -45.3 | 176.1 | -172.7 | 0 | 0 | 0 | 0 | 111.7 | S101 V102 V103 L107 A108 S109 | S101-C105 VanDerWaalsContact O-CB 3.31Å; S101-C105 WeakPolarHBondContact O-CB 3.4Å; S101-C105 PolarHBondContact O-N 3.31Å; V102-C105 PolarHBondContact O-N 3.43Å; V103-C105 VanDerWaalsContact C-N 3.32Å; V103-C105 PolarHBondContact O-N 3.43Å; C105-L107 PolarHBondContact O-N 2.93Å; C105-A108 PolarHBondContact O-N 3.44Å; C105-S109 WeakPolarHBondContact O-CB 3.31Å; C105-S109 PolarHBondContact O-N 3.48Å; C105-S109 PolarHBondContact O-OG 2.7Å |
| 106 | L | 97.1 | Very high | 93.5 | Very high | 96 Ų | 96 | 87.7 Ų | 87.7 | 50% | 0.503 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.6 | -47.1 | 175.8 | -72 | 175 | 0 | 0 | 0 | 111.3 | V102 V103 A108 S109 I110 | V102-L106 HydrophobicContact CG1-CD1 4.11Å; V102-L106 HydrophobicContact CG1-CG 4.44Å; V102-L106 WeakPolarHBondContact O-CG 3.5Å; V102-L106 PolarHBondContact O-N 2.79Å; V103-L106 PolarHBondContact O-N 3.4Å; L106-A108 PolarHBondContact O-N 2.89Å; L106-S109 WeakPolarHBondContact CA-OG 3.3Å; L106-S109 PolarHBondContact O-N 3.5Å; L106-S109 PolarHBondContact O-OG 2.79Å; L106-I110 VanDerWaalsContact O-CG1 3.29Å; L106-I110 WeakPolarHBondContact O-CG1 3.31Å; L106-I110 PolarHBondContact O-N 3.4Å |
| 107 | L | 96.9 | Very high | 93.6 | Very high | 99 Ų | 99 | 90.4 Ų | 90.4 | 52% | 0.518 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.9 | -45 | 177 | -70.8 | 173.2 | 0 | 0 | 0 | 111.8 | V103 V104 C105 S109 I110 L111 | V103-L107 HydrophobicContact CG1-CD1 3.97Å; V103-L107 HydrophobicContact CG1-CG 4.37Å; V103-L107 WeakPolarHBondContact O-CB 3.37Å; V103-L107 VanDerWaalsContact O-CG 3.3Å; V103-L107 WeakPolarHBondContact O-CG 3.46Å; V103-L107 PolarHBondContact O-N 3.28Å; V104-L107 PolarHBondContact O-N 3.44Å; C105-L107 PolarHBondContact O-N 2.93Å; L107-S109 VanDerWaalsContact C-N 3.34Å; L107-S109 PolarHBondContact O-N 2.9Å; L107-I110 PolarHBondContact O-N 3.32Å; L107-L111 WeakPolarHBondContact O-CB 3.31Å; L107-L111 VanDerWaalsContact O-CG 3.31Å; L107-L111 WeakPolarHBondContact O-CG 3.29Å; L107-L111 PolarHBondContact O-N 2.92Å |
| 108 | A | 96.6 | Very high | 93.5 | Very high | 49 Ų | 49 | 85.2 Ų | 85.2 | 41% | 0.405 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.7 | -43.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V104 C105 L106 I110 L111 V112 | V104-A108 WeakPolarHBondContact O-CB 3.5Å; V104-A108 PolarHBondContact O-N 2.9Å; C105-A108 PolarHBondContact O-N 3.44Å; L106-A108 PolarHBondContact O-N 2.89Å; A108-I110 PolarHBondContact O-N 2.93Å; A108-L111 PolarHBondContact O-N 2.94Å; A108-V112 VanDerWaalsContact O-CG2 3.31Å; A108-V112 WeakPolarHBondContact O-CG2 3.29Å; A108-V112 PolarHBondContact O-N 2.98Å |
| 109 | S | 96.8 | Very high | 93.5 | Very high | 61 Ų | 61 | 86 Ų | 86 | 43% | 0.427 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64 | -40.7 | 178 | 74 | 0 | 0 | 0 | 0 | 112.6 | C105 L106 L107 V112 A113 | C105-S109 WeakPolarHBondContact O-CB 3.31Å; C105-S109 PolarHBondContact O-N 3.48Å; C105-S109 PolarHBondContact O-OG 2.7Å; L106-S109 WeakPolarHBondContact CA-OG 3.3Å; L106-S109 PolarHBondContact O-N 3.5Å; L106-S109 PolarHBondContact O-OG 2.79Å; L107-S109 VanDerWaalsContact C-N 3.34Å; L107-S109 PolarHBondContact O-N 2.9Å; S109-V112 PolarHBondContact O-N 3.21Å; S109-A113 WeakPolarHBondContact O-CB 3.46Å; S109-A113 PolarHBondContact O-N 3.44Å |
| 110 | I | 95.5 | Very high | 93.3 | Very high | 106 Ų | 106 | 85.5 Ų | 85.5 | 54% | 0.544 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.3 | -41.2 | 176.8 | -68.2 | 165.6 | 0 | 0 | 0 | 110.4 | L106 L107 A108 A113 F114 | L106-I110 VanDerWaalsContact O-CG1 3.29Å; L106-I110 WeakPolarHBondContact O-CG1 3.31Å; L106-I110 PolarHBondContact O-N 3.4Å; L107-I110 PolarHBondContact O-N 3.32Å; A108-I110 PolarHBondContact O-N 2.93Å; I110-A113 PolarHBondContact O-N 3.49Å; I110-F114 VanDerWaalsContact O-CB 3.29Å; I110-F114 WeakPolarHBondContact O-CB 3.42Å; I110-F114 PolarHBondContact O-N 3.34Å |
| 111 | L | 94.3 | Very high | 93.3 | Very high | 95 Ų | 95 | 81.2 Ų | 81.2 | 50% | 0.497 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.5 | -49.9 | 175.8 | -76.1 | 163.2 | 0 | 0 | 0 | 111 | L107 A108 A113 F114 F115 | L107-L111 WeakPolarHBondContact O-CB 3.31Å; L107-L111 VanDerWaalsContact O-CG 3.31Å; L107-L111 WeakPolarHBondContact O-CG 3.29Å; L107-L111 PolarHBondContact O-N 2.92Å; A108-L111 PolarHBondContact O-N 2.94Å; L111-A113 VanDerWaalsContact C-N 3.31Å; L111-A113 PolarHBondContact O-N 3.47Å; L111-F114 PolarHBondContact O-N 3.32Å; L111-F114 VanDerWaalsContact O-N 3.15Å; L111-F115 HydrophobicContact CB-CE2 4.39Å; L111-F115 HydrophobicContact CD2-CE2 4.11Å; L111-F115 WeakPolarHBondContact O-CD2 3.47Å; L111-F115 PolarHBondContact O-N 3.26Å |
| 112 | V | 93.1 | Very high | 93.2 | Very high | 85 Ų | 85 | 81.3 Ų | 81.3 | 52% | 0.515 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -58.4 | -45.5 | 177.4 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | A108 S109 F115 L116 | A108-V112 VanDerWaalsContact O-CG2 3.31Å; A108-V112 WeakPolarHBondContact O-CG2 3.29Å; A108-V112 PolarHBondContact O-N 2.98Å; S109-V112 PolarHBondContact O-N 3.21Å; V112-F115 PolarHBondContact O-N 2.8Å; V112-L116 HydrophobicContact CG1-CD1 3.73Å; V112-L116 HydrophobicContact CG1-CG 4.46Å; V112-L116 WeakPolarHBondContact O-CB 3.33Å; V112-L116 WeakPolarHBondContact O-CG 3.12Å; V112-L116 PolarHBondContact O-N 3.31Å |
| 113 | A | 91.1 | Very high | 93.1 | Very high | 55 Ų | 55 | 78.4 Ų | 78.4 | 46% | 0.455 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.1 | -47.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | S109 I110 L111 F115 L116 F117 | S109-A113 WeakPolarHBondContact O-CB 3.46Å; S109-A113 PolarHBondContact O-N 3.44Å; I110-A113 PolarHBondContact O-N 3.49Å; L111-A113 VanDerWaalsContact C-N 3.31Å; L111-A113 PolarHBondContact O-N 3.47Å; A113-F115 VanDerWaalsContact C-N 3.34Å; A113-F115 PolarHBondContact O-N 3.15Å; A113-L116 PolarHBondContact O-N 3.02Å; A113-F117 WeakPolarHBondContact O-CA 3.03Å; A113-F117 WeakPolarHBondContact O-CB 3.36Å; A113-F117 PolarHBondContact O-N 2.88Å |
| 114 | F | 90.6 | Very high | 93 | Very high | 105 Ų | 105 | 78.9 Ų | 78.9 | 46% | 0.461 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.8 | -39.8 | -179.8 | 177.2 | -95.9 | 0 | 0 | 0 | 113.4 | I110 L111 R119 F157 | I110-F114 VanDerWaalsContact O-CB 3.29Å; I110-F114 WeakPolarHBondContact O-CB 3.42Å; I110-F114 PolarHBondContact O-N 3.34Å; L111-F114 PolarHBondContact O-N 3.32Å; L111-F114 VanDerWaalsContact O-N 3.15Å; F114-R119 VanDerWaalsContact CZ-NH2 3.31Å; F114-F157 HydrophobicContact CE1-CE2 4.08Å; F114-F157 HydrophobicContact CE1-CZ 4.32Å |
| 115 | F | 89.8 | Confident | 92.8 | Very high | 95 Ų | 95 | 76.6 Ų | 76.6 | 42% | 0.417 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -76 | -34.8 | 178.9 | -71.9 | -64.5 | 0 | 0 | 0 | 113.3 | L111 V112 A113 F157 | L111-F115 HydrophobicContact CB-CE2 4.39Å; L111-F115 HydrophobicContact CD2-CE2 4.11Å; L111-F115 WeakPolarHBondContact O-CD2 3.47Å; L111-F115 PolarHBondContact O-N 3.26Å; V112-F115 PolarHBondContact O-N 2.8Å; A113-F115 VanDerWaalsContact C-N 3.34Å; A113-F115 PolarHBondContact O-N 3.15Å; F115-F157 HydrophobicContact CD1-CB 4.43Å; F115-F157 HydrophobicContact CD1-CD1 4.14Å; F115-F157 AromaticContact CD1-CD2 3.78Å; F115-F157 HydrophobicContact CD1-CD2 3.78Å; F115-F157 HydrophobicContact CD1-CE1 4.31Å; F115-F157 AromaticContact CD1-CE2 3.98Å; F115-F157 HydrophobicContact CD1-CE2 3.98Å; F115-F157 AromaticContact CD1-CG 3.86Å; F115-F157 HydrophobicContact CD1-CG 3.86Å; F115-F157 HydrophobicContact CD1-CZ 4.25Å; F115-F157 HydrophobicContact CE1-CD1 4.29Å; F115-F157 HydrophobicContact CE1-CD2 4.46Å; F115-F157 HydrophobicContact CE1-CE1 4.12Å; F115-F157 HydrophobicContact CE1-CE2 4.31Å; F115-F157 HydrophobicContact CE1-CG 4.45Å; F115-F157 HydrophobicContact CE1-CZ 4.14Å |
| 116 | L | 87.5 | Confident | 92.5 | Very high | 91 Ų | 91 | 75.5 Ų | 75.5 | 48% | 0.476 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -94 | -15.8 | -176.5 | -64.6 | 179.7 | 0 | 0 | 0 | 113.8 | V112 A113 P118 | V112-L116 HydrophobicContact CG1-CD1 3.73Å; V112-L116 HydrophobicContact CG1-CG 4.46Å; V112-L116 WeakPolarHBondContact O-CB 3.33Å; V112-L116 WeakPolarHBondContact O-CG 3.12Å; V112-L116 PolarHBondContact O-N 3.31Å; A113-L116 PolarHBondContact O-N 3.02Å; L116-P118 VanDerWaalsContact O-CD 3.29Å; L116-P118 WeakPolarHBondContact O-CD 3.29Å; L116-P118 VanDerWaalsContact O-N 3.17Å |
| 117 | F | 88.8 | Confident | 92.1 | Very high | 155 Ų | 155 | 71.9 Ų | 71.9 | 68% | 0.68 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -67.4 | 116.2 | -179.7 | -160.4 | -96.4 | 0 | 0 | 0 | 109.5 | A113 R119 | A113-F117 WeakPolarHBondContact O-CA 3.03Å; A113-F117 WeakPolarHBondContact O-CB 3.36Å; A113-F117 PolarHBondContact O-N 2.88Å; F117-R119 PolarHBondContact O-N 3.35Å |
| 118 | P | 87 | Confident | 91.9 | Very high | 39 Ų | 39 | 68.6 Ų | 68.6 | 25% | 0.253 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -72 | 121.7 | -169.8 | 28.1 | -33.9 | 0 | 0 | 0 | 110.5 | L116 F158 Y236 | L116-P118 VanDerWaalsContact O-CD 3.29Å; L116-P118 WeakPolarHBondContact O-CD 3.29Å; L116-P118 VanDerWaalsContact O-N 3.17Å; P118-F158 HydrophobicContact CB-CZ 4.06Å; P118-Y236 HydrophobicContact CB-CD2 4.13Å; P118-Y236 HydrophobicContact CB-CE2 3.38Å; P118-Y236 HydrophobicContact CG-CE2 4.01Å |
| 119 | R | 89.8 | Confident | 91.7 | Very high | 100 Ų | 100 | 70.8 Ų | 70.8 | 38% | 0.377 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -86.2 | 145.1 | 167.9 | -61 | -178.7 | -178.4 | 179.4 | -1.2 | 109.3 | F114 F117 V121 P155 N156 | F114-R119 VanDerWaalsContact CZ-NH2 3.31Å; F117-R119 PolarHBondContact O-N 3.35Å; R119-V121 PolarHBondContact O-N 3.15Å; R119-P155 HydrophobicContact CB-CG 3.93Å; R119-N156 WeakPolarHBondContact CA-OD1 3.47Å; R119-N156 WeakPolarHBondContact CB-OD1 3.46Å; R119-N156 PolarHBondContact N-OD1 3.12Å; R119-N156 PolarHBondContact O-ND2 2.99Å; R119-N156 PolarHBondContact O-OD1 3.43Å |
| 120 | S | 88.9 | Confident | 91.6 | Very high | 83 Ų | 83 | 69 Ų | 69 | 58% | 0.58 | 38% | 0.376 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 131.3 | 176.7 | 53.5 | 0 | 0 | 0 | 0 | 110.9 | V122 P155 | S120-V122 PolarHBondContact O-N 2.76Å; S120-P155 WeakPolarHBondContact O-CG 3.48Å |
| 121 | V | 92.8 | Very high | 91.6 | Very high | 6 Ų | 6 | 64 Ų | 64 | 4% | 0.036 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 129.3 | 170.1 | 178.3 | 0 | 0 | 0 | 0 | 108.6 | R119 V123 S153 V160 I187 N243 | R119-V121 PolarHBondContact O-N 3.15Å; V121-V123 HydrophobicContact CG1-CG2 4.5Å; V121-S153 WeakPolarHBondContact CG1-O 3.42Å; V121-V160 HydrophobicContact CG2-CB 4.32Å; V121-V160 HydrophobicContact CG2-CG1 4Å; V121-V160 HydrophobicContact CG2-CG2 4.02Å; V121-I187 HydrophobicContact CG1-CD1 4.1Å; V121-N243 PolarHBondContact O-ND2 2.93Å; V121-N243 VanDerWaalsContact O-ND2 3.14Å |
| 122 | V | 93.6 | Very high | 91.6 | Very high | 72 Ų | 72 | 62.8 Ų | 62.8 | 44% | 0.436 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 125.5 | 178.3 | -177 | 0 | 0 | 0 | 0 | 107.9 | S120 V124 S153 | S120-V122 PolarHBondContact O-N 2.76Å; V122-V124 HydrophobicContact CG1-CG2 4.01Å; V122-S153 PolarHBondContact N-O 3.4Å; V122-S153 PolarHBondContact O-N 2.89Å |
| 123 | V | 94.9 | Very high | 91.7 | Very high | 17 Ų | 17 | 59.5 Ų | 59.5 | 10% | 0.103 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 126.5 | 176.9 | -168.2 | 0 | 0 | 0 | 0 | 107.5 | V121 L150 F152 V232 N243 L245 | V121-V123 HydrophobicContact CG1-CG2 4.5Å; V123-L150 HydrophobicContact CG1-CD2 4.21Å; V123-F152 HydrophobicContact CB-CD1 4.44Å; V123-F152 HydrophobicContact CB-CE1 4.5Å; V123-F152 HydrophobicContact CG1-CD1 3.95Å; V123-F152 HydrophobicContact CG1-CE1 3.66Å; V123-F152 HydrophobicContact CG1-CZ 4.42Å; V123-F152 HydrophobicContact CG2-CD1 3.92Å; V123-F152 HydrophobicContact CG2-CE1 4.07Å; V123-V232 HydrophobicContact CG1-CG2 4.01Å; V123-N243 HydrophobicContact CG2-CB 4.47Å; V123-L245 HydrophobicContact CB-CD1 4.11Å; V123-L245 HydrophobicContact CG1-CD1 3.58Å |
| 124 | V | 93.9 | Very high | 91.9 | Very high | 77 Ų | 77 | 62.9 Ų | 62.9 | 47% | 0.467 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 132.6 | 179.8 | -176.5 | 0 | 0 | 0 | 0 | 108.4 | V122 A126 N151 | V122-V124 HydrophobicContact CG1-CG2 4.01Å; V124-A126 PolarHBondContact O-N 3.44Å; V124-N151 PolarHBondContact N-O 2.82Å; V124-N151 PolarHBondContact O-N 2.89Å |
| 125 | D | 92.6 | Very high | 92.1 | Very high | 36 Ų | 36 | 60 Ų | 60 | 19% | 0.193 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 118.3 | 168.8 | -163.8 | -17.6 | 0 | 0 | 0 | 109.3 | G127 S148 M228 H249 | D125-G127 WeakPolarHBondContact OD1-CA 3.34Å; D125-G127 PolarHBondContact OD1-N 3.07Å; D125-S148 PolarHBondContact OD1-OG 3.49Å; D125-M228 WeakPolarHBondContact OD2-CE 3.34Å; D125-H249 IonicContact OD2-NE2 3.32Å |
| 126 | A | 90.6 | Very high | 92.2 | Very high | 64 Ų | 64 | 57.2 Ų | 57.2 | 53% | 0.529 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 2.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V124 T149 | V124-A126 PolarHBondContact O-N 3.44Å; A126-T149 HydrophobicContact CB-CG2 4.02Å; A126-T149 WeakPolarHBondContact CB-O 3.34Å; A126-T149 PolarHBondContact N-O 3.47Å |
| 127 | G | 89.4 | Confident | 92.4 | Very high | 20 Ų | 20 | 59 Ų | 59 | 21% | 0.206 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 90.7 | -171.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | D125 S148 T149 | D125-G127 WeakPolarHBondContact OD1-CA 3.34Å; D125-G127 PolarHBondContact OD1-N 3.07Å; G127-S148 WeakPolarHBondContact O-CA 3.38Å; G127-S148 PolarHBondContact O-OG 2.96Å; G127-T149 PolarHBondContact O-N 2.86Å |
| 128 | I | 91.9 | Very high | 92.6 | Very high | 29 Ų | 29 | 57.6 Ų | 57.6 | 15% | 0.149 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 122.7 | -177.8 | -47.7 | -177.4 | 0 | 0 | 0 | 109.9 | V131 M146 H249 I251 | I128-V131 HydrophobicContact CG2-CG2 3.67Å; I128-M146 HydrophobicContact CD1-CE 3.39Å; I128-M146 HydrophobicContact CD1-SD 4.27Å; I128-M146 HydrophobicContact CG1-CE 3.61Å; I128-M146 HydrophobicContact CG2-CG 4.08Å; I128-H249 HydrophobicContact CD1-CB 3.53Å; I128-H249 HydrophobicContact CG1-CB 4.49Å; I128-I251 HydrophobicContact CD1-CD1 4.32Å; I128-I251 HydrophobicContact CD1-CG1 4.13Å |
| 129 | R | 92.3 | Very high | 92.8 | Very high | 95 Ų | 95 | 60.4 Ų | 60.4 | 36% | 0.358 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | -38.6 | 174.6 | -68.6 | -166.1 | 69 | 155 | 4.1 | 112.7 | T147 T149 H259 | R129-T147 PolarHBondContact N-O 3.46Å; R129-T149 WeakPolarHBondContact CD-OG1 3.32Å; R129-T149 WeakPolarHBondContact CG-OG1 3.44Å; R129-H259 PolarHBondContact O-N 2.99Å; R129-H259 VanDerWaalsContact O-O 3.1Å |
| 130 | S | 94.4 | Very high | 92.9 | Very high | 23 Ų | 23 | 61.9 Ų | 61.9 | 16% | 0.161 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 147.6 | -179.9 | 63.4 | 0 | 0 | 0 | 0 | 112 | T147 T257 | S130-T147 PolarHBondContact N-O 3.43Å; S130-T147 PolarHBondContact O-N 2.87Å; S130-T147 WeakPolarHBondContact OG-CB 3.24Å; S130-T147 PolarHBondContact OG-OG1 3.32Å; S130-T257 CarbonylContact C-O 3.51Å; S130-T257 VanDerWaalsContact CA-O 3.22Å; S130-T257 WeakPolarHBondContact CA-O 3.31Å |
| 131 | V | 95.3 | Very high | 93.1 | Very high | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.012 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 118.9 | 167.1 | -171.5 | 0 | 0 | 0 | 0 | 108.7 | I128 V133 M144 N145 M146 I251 N256 T257 | I128-V131 HydrophobicContact CG2-CG2 3.67Å; V131-V133 HydrophobicContact CG1-CG2 4.31Å; V131-M144 HydrophobicContact CG1-CB 4.12Å; V131-M144 HydrophobicContact CG1-CG 4.41Å; V131-N145 WeakPolarHBondContact CA-O 3.38Å; V131-M146 HydrophobicContact CG2-CG 4.32Å; V131-I251 HydrophobicContact CB-CG2 4.3Å; V131-I251 HydrophobicContact CG1-CG2 3.82Å; V131-I251 HydrophobicContact CG2-CG2 4.1Å; V131-N256 WeakPolarHBondContact O-CA 3.4Å; V131-T257 WeakPolarHBondContact CB-OG1 3.49Å; V131-T257 PolarHBondContact N-O 2.91Å; V131-T257 PolarHBondContact O-N 2.83Å |
| 132 | T | 95.4 | Very high | 93.2 | Very high | 70 Ų | 70 | 60 Ų | 60 | 43% | 0.429 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 124.4 | 171.4 | -52.8 | 0 | 0 | 0 | 0 | 108.6 | M144 N145 | T132-M144 CarbonylContact O-C 3.56Å; T132-M144 VanDerWaalsContact O-CA 3.24Å; T132-M144 WeakPolarHBondContact O-CA 3.38Å; T132-N145 PolarHBondContact N-O 2.94Å; T132-N145 PolarHBondContact O-N 3.21Å |
| 133 | V | 95 | Very high | 93.3 | Very high | 16 Ų | 16 | 59.3 Ų | 59.3 | 10% | 0.097 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 136.8 | -178.6 | -172.8 | 0 | 0 | 0 | 0 | 110 | V131 F135 V142 L143 M144 C253 S255 N256 | V131-V133 HydrophobicContact CG1-CG2 4.31Å; V133-F135 HydrophobicContact CG1-CD1 4.46Å; V133-F135 HydrophobicContact CG1-CE1 3.85Å; V133-F135 HydrophobicContact CG1-CE2 4.23Å; V133-F135 HydrophobicContact CG1-CZ 3.73Å; V133-V142 HydrophobicContact CG1-CG1 3.88Å; V133-L143 CarbonylContact C-O 3.55Å; V133-M144 HydrophobicContact CB-CG 4.44Å; V133-M144 HydrophobicContact CG1-CG 4.19Å; V133-M144 HydrophobicContact CG2-CG 4.11Å; V133-C253 WeakPolarHBondContact CG1-O 3.25Å; V133-S255 WeakPolarHBondContact CG2-O 3.21Å; V133-N256 PolarHBondContact N-OD1 2.7Å; V133-N256 PolarHBondContact O-OD1 3.08Å |
| 134 | H | 94.9 | Very high | 93.3 | Very high | 125 Ų | 125 | 58.7 Ų | 58.7 | 58% | 0.579 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 138.4 | 172.3 | -172.2 | 65.8 | 0 | 0 | 0 | 110.2 | L143 | H134-L143 HydrophobicContact CB-CB 4.28Å; H134-L143 PolarHBondContact N-O 2.9Å; H134-L143 PolarHBondContact O-N 2.99Å; H134-L143 VanDerWaalsContact O-O 3.11Å |
| 135 | F | 94.4 | Very high | 93.5 | Very high | 46 Ų | 46 | 58.6 Ų | 58.6 | 20% | 0.202 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 119.7 | -178.2 | -61 | -66.1 | 0 | 0 | 0 | 110.2 | V133 H137 V142 Y211 C214 T215 C253 | V133-F135 HydrophobicContact CG1-CD1 4.46Å; V133-F135 HydrophobicContact CG1-CE1 3.85Å; V133-F135 HydrophobicContact CG1-CE2 4.23Å; V133-F135 HydrophobicContact CG1-CZ 3.73Å; F135-H137 PolarHBondContact O-N 3.25Å; F135-V142 HydrophobicContact CD1-CG1 4.22Å; F135-V142 HydrophobicContact CD1-CG2 4.12Å; F135-V142 HydrophobicContact CE1-CG1 3.97Å; F135-V142 HydrophobicContact CE1-CG2 4.15Å; F135-Y211 HydrophobicContact CB-CE2 4.24Å; F135-C214 HydrophobicContact CE1-CB 3.72Å; F135-C214 HydrophobicContact CZ-CB 4.26Å; F135-T215 HydrophobicContact CD1-CG2 3.77Å; F135-T215 HydrophobicContact CD2-CG2 4.46Å; F135-T215 HydrophobicContact CE1-CG2 3.92Å; F135-T215 HydrophobicContact CG-CG2 4.06Å; F135-T215 HydrophobicContact CZ-CG2 4.3Å; F135-C253 WeakPolarHBondContact CE1-O 3.34Å; F135-C253 WeakPolarHBondContact CZ-O 3.19Å |
| 136 | D | 93.5 | Very high | 93.6 | Very high | 35 Ų | 35 | 57 Ų | 57 | 19% | 0.187 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 96.9 | 167.7 | -178.3 | -6.1 | 0 | 0 | 0 | 108.7 | T138 N139 K140 K141 L143 | D136-T138 PolarHBondContact O-N 2.75Å; D136-T138 WeakPolarHBondContact OD1-CA 3.15Å; D136-T138 VanDerWaalsContact OD1-CB 3.31Å; D136-T138 WeakPolarHBondContact OD1-CB 3.38Å; D136-T138 PolarHBondContact OD1-N 2.9Å; D136-N139 PolarHBondContact OD1-N 3.02Å; D136-N139 VanDerWaalsContact OD1-N 3.15Å; D136-N139 WeakPolarHBondContact OD2-CB 3.22Å; D136-N139 PolarHBondContact OD2-ND2 3.37Å; D136-K140 VanDerWaalsContact O-CA 3.25Å; D136-K140 WeakPolarHBondContact O-CA 3.38Å; D136-K140 PolarHBondContact O-N 2.87Å; D136-K141 HydrophobicContact CB-CB 4.25Å; D136-K141 PolarHBondContact N-O 3.09Å; D136-K141 PolarHBondContact O-N 2.91Å; D136-L143 HydrophobicContact CB-CD1 4.27Å |
| 137 | H | 91.9 | Very high | 93.8 | Very high | 129 Ų | 129 | 55.3 Ų | 55.3 | 60% | 0.597 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -24.5 | 178.6 | -61.8 | -66.8 | 0 | 0 | 0 | 113.1 | F135 Y211 | F135-H137 PolarHBondContact O-N 3.25Å; H137-Y211 AromaticContact ND1-CZ 3.89Å; H137-Y211 PolarHBondContact ND1-OH 2.84Å |
| 138 | T | 91.9 | Very high | 94 | Very high | 126 Ų | 126 | 54.4 Ų | 54.4 | 77% | 0.773 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -50.8 | -176.9 | -49.5 | 0 | 0 | 0 | 0 | 110.2 | D136 | D136-T138 PolarHBondContact O-N 2.75Å; D136-T138 WeakPolarHBondContact OD1-CA 3.15Å; D136-T138 VanDerWaalsContact OD1-CB 3.31Å; D136-T138 WeakPolarHBondContact OD1-CB 3.38Å; D136-T138 PolarHBondContact OD1-N 2.9Å |
| 139 | N | 91.5 | Very high | 94.1 | Very high | 98 Ų | 98 | 53.2 Ų | 53.2 | 52% | 0.524 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 0 | -178.3 | -61 | -64.9 | 0 | 0 | 0 | 113.3 | D136 K141 | D136-N139 PolarHBondContact OD1-N 3.02Å; D136-N139 VanDerWaalsContact OD1-N 3.15Å; D136-N139 WeakPolarHBondContact OD2-CB 3.22Å; D136-N139 PolarHBondContact OD2-ND2 3.37Å; N139-K141 HydrophobicContact CB-CD 3.89Å; N139-K141 HydrophobicContact CB-CG 3.86Å; N139-K141 WeakPolarHBondContact O-CG 3.39Å |
| 140 | K | 91.5 | Very high | 94.2 | Very high | 131 Ų | 131 | 48.7 Ų | 48.7 | 57% | 0.57 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 50.8 | -174.6 | -57.7 | 179.3 | -177.8 | 177.3 | 0 | 111.7 | D136 Y211 | D136-K140 VanDerWaalsContact O-CA 3.25Å; D136-K140 WeakPolarHBondContact O-CA 3.38Å; D136-K140 PolarHBondContact O-N 2.87Å; K140-Y211 VanDerWaalsContact C-CD2 3.49Å; K140-Y211 HydrophobicContact CB-CD1 3.83Å; K140-Y211 HydrophobicContact CB-CD2 4.46Å; K140-Y211 HydrophobicContact CB-CE1 4.19Å; K140-Y211 HydrophobicContact CB-CG 3.99Å; K140-Y211 HydrophobicContact CG-CD1 4.28Å; K140-Y211 HydrophobicContact CG-CE1 4.21Å; K140-Y211 WeakPolarHBondContact O-CB 3.42Å |
| 141 | K | 94 | Very high | 94.3 | Very high | 49 Ų | 49 | 49.9 Ų | 49.9 | 21% | 0.213 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 150.5 | -179.1 | -57.8 | -179.7 | 176.1 | 179 | 0 | 111.2 | D136 N139 E202 | D136-K141 HydrophobicContact CB-CB 4.25Å; D136-K141 PolarHBondContact N-O 3.09Å; D136-K141 PolarHBondContact O-N 2.91Å; N139-K141 HydrophobicContact CB-CD 3.89Å; N139-K141 HydrophobicContact CB-CG 3.86Å; N139-K141 WeakPolarHBondContact O-CG 3.39Å; K141-E202 HydrophobicContact CD-CG 4.2Å; K141-E202 WeakPolarHBondContact CD-OE1 3.43Å; K141-E202 WeakPolarHBondContact CE-OE1 3.33Å; K141-E202 IonicContact NZ-OE1 2.68Å; K141-E202 PolarHBondContact NZ-OE1 2.85Å |
| 142 | V | 94.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 119.4 | 171.8 | -171.8 | 0 | 0 | 0 | 0 | 107.6 | V133 F135 M144 I203 V210 Y211 C214 C253 | V133-V142 HydrophobicContact CG1-CG1 3.88Å; F135-V142 HydrophobicContact CD1-CG1 4.22Å; F135-V142 HydrophobicContact CD1-CG2 4.12Å; F135-V142 HydrophobicContact CE1-CG1 3.97Å; F135-V142 HydrophobicContact CE1-CG2 4.15Å; V142-M144 HydrophobicContact CG1-CE 4.11Å; V142-M144 HydrophobicContact CG1-CG 4.03Å; V142-M144 HydrophobicContact CG1-SD 4.19Å; V142-I203 PolarHBondContact N-O 2.78Å; V142-I203 PolarHBondContact O-N 3.33Å; V142-V210 HydrophobicContact CG2-CG1 4.35Å; V142-Y211 HydrophobicContact CG2-CD2 4.3Å; V142-C214 HydrophobicContact CG2-CB 4.12Å; V142-C253 HydrophobicContact CG1-CB 4.48Å |
| 143 | L | 95.4 | Very high | 94.3 | Very high | 57 Ų | 57 | 47.8 Ų | 47.8 | 30% | 0.298 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 127.1 | 178.2 | -63.8 | 166.9 | 0 | 0 | 0 | 107.9 | V133 H134 D136 V201 E202 | V133-L143 CarbonylContact C-O 3.55Å; H134-L143 HydrophobicContact CB-CB 4.28Å; H134-L143 PolarHBondContact N-O 2.9Å; H134-L143 PolarHBondContact O-N 2.99Å; H134-L143 VanDerWaalsContact O-O 3.11Å; D136-L143 HydrophobicContact CB-CD1 4.27Å; L143-V201 CarbonylContact C-O 3.55Å; L143-V201 WeakPolarHBondContact CA-O 3.45Å; L143-E202 HydrophobicContact CD2-CB 3.92Å; L143-E202 HydrophobicContact CD2-CG 3.72Å |
| 144 | M | 95.4 | Very high | 94.3 | Very high | 5 Ų | 5 | 47.1 Ų | 47.1 | 3% | 0.025 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 134.3 | -178.1 | -64.6 | 172 | -79.1 | 0 | 0 | 110.2 | V131 T132 V133 V142 S200 V201 I203 I224 I251 C253 | V131-M144 HydrophobicContact CG1-CB 4.12Å; V131-M144 HydrophobicContact CG1-CG 4.41Å; T132-M144 CarbonylContact O-C 3.56Å; T132-M144 VanDerWaalsContact O-CA 3.24Å; T132-M144 WeakPolarHBondContact O-CA 3.38Å; V133-M144 HydrophobicContact CB-CG 4.44Å; V133-M144 HydrophobicContact CG1-CG 4.19Å; V133-M144 HydrophobicContact CG2-CG 4.11Å; V142-M144 HydrophobicContact CG1-CE 4.11Å; V142-M144 HydrophobicContact CG1-CG 4.03Å; V142-M144 HydrophobicContact CG1-SD 4.19Å; M144-S200 CarbonylContact O-C 3.6Å; M144-S200 WeakPolarHBondContact O-CA 3.38Å; M144-V201 HydrophobicContact CB-CB 4.22Å; M144-V201 HydrophobicContact CE-CG1 3.93Å; M144-V201 PolarHBondContact N-O 2.83Å; M144-V201 PolarHBondContact O-N 3.43Å; M144-I203 HydrophobicContact CE-CD1 3.49Å; M144-I203 VanDerWaalsContact CE-CD1 3.49Å; M144-I203 HydrophobicContact CE-CG1 3.85Å; M144-I224 HydrophobicContact CE-CD1 3.88Å; M144-I224 HydrophobicContact SD-CD1 4.26Å; M144-I251 HydrophobicContact SD-CG2 4.21Å; M144-C253 HydrophobicContact SD-CB 4.15Å |
| 145 | N | 96.3 | Very high | 94.3 | Very high | 74 Ų | 74 | 42.9 Ų | 42.9 | 40% | 0.396 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 108.6 | 169.1 | -75.2 | -30.3 | 0 | 0 | 0 | 108.4 | V131 T132 T198 S200 | V131-N145 WeakPolarHBondContact CA-O 3.38Å; T132-N145 PolarHBondContact N-O 2.94Å; T132-N145 PolarHBondContact O-N 3.21Å; N145-T198 HydrophobicContact CB-CG2 4.04Å; N145-S200 PolarHBondContact OD1-OG 3.24Å |
| 146 | M | 94.6 | Very high | 94.2 | Very high | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.015 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 116.4 | -176 | 177.3 | -179.4 | 162.6 | 0 | 0 | 109.2 | I128 V131 T198 V199 M228 I251 | I128-M146 HydrophobicContact CD1-CE 3.39Å; I128-M146 HydrophobicContact CD1-SD 4.27Å; I128-M146 HydrophobicContact CG1-CE 3.61Å; I128-M146 HydrophobicContact CG2-CG 4.08Å; V131-M146 HydrophobicContact CG2-CG 4.32Å; M146-T198 CarbonylContact O-C 3.58Å; M146-T198 VanDerWaalsContact O-CA 3.27Å; M146-T198 WeakPolarHBondContact O-CA 3.47Å; M146-V199 PolarHBondContact N-O 3.05Å; M146-V199 PolarHBondContact O-N 2.7Å; M146-M228 HydrophobicContact CE-SD 3.53Å; M146-M228 VanDerWaalsContact CE-SD 3.53Å; M146-I251 HydrophobicContact SD-CD1 3.76Å |
| 147 | T | 95.2 | Very high | 94.2 | Very high | 28 Ų | 28 | 43 Ų | 43 | 17% | 0.172 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 119.2 | 177 | -55.7 | 0 | 0 | 0 | 0 | 109.6 | R129 S130 Y197 T198 | R129-T147 PolarHBondContact N-O 3.46Å; S130-T147 PolarHBondContact N-O 3.43Å; S130-T147 PolarHBondContact O-N 2.87Å; S130-T147 WeakPolarHBondContact OG-CB 3.24Å; S130-T147 PolarHBondContact OG-OG1 3.32Å; T147-Y197 WeakPolarHBondContact CA-O 3.4Å; T147-T198 PolarHBondContact OG1-OG1 3.11Å |
| 148 | S | 94 | Very high | 94.2 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.007 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 159.1 | 177.3 | 167.2 | 0 | 0 | 0 | 0 | 110.7 | D125 G127 N196 Y197 | D125-S148 PolarHBondContact OD1-OG 3.49Å; G127-S148 WeakPolarHBondContact O-CA 3.38Å; G127-S148 PolarHBondContact O-OG 2.96Å; S148-N196 WeakPolarHBondContact O-CA 3.47Å; S148-Y197 PolarHBondContact N-O 3.07Å; S148-Y197 WeakPolarHBondContact O-CD1 3.21Å; S148-Y197 PolarHBondContact O-N 3.45Å; S148-Y197 PolarHBondContact OG-OH 3.32Å |
| 149 | T | 94.4 | Very high | 94.3 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 3% | 0.025 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 127.8 | 178.4 | -62.9 | 0 | 0 | 0 | 0 | 110.6 | A126 G127 R129 Q194 V195 N196 | A126-T149 HydrophobicContact CB-CG2 4.02Å; A126-T149 WeakPolarHBondContact CB-O 3.34Å; A126-T149 PolarHBondContact N-O 3.47Å; G127-T149 PolarHBondContact O-N 2.86Å; R129-T149 WeakPolarHBondContact CD-OG1 3.32Å; R129-T149 WeakPolarHBondContact CG-OG1 3.44Å; T149-Q194 HydrophobicContact CG2-CB 4.4Å; T149-V195 WeakPolarHBondContact CA-O 3.38Å; T149-N196 WeakPolarHBondContact CB-OD1 3.34Å; T149-N196 VanDerWaalsContact CG2-OD1 3.28Å; T149-N196 WeakPolarHBondContact CG2-OD1 3.45Å; T149-N196 PolarHBondContact OG1-OD1 2.96Å |
| 150 | L | 95.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 133.9 | 168.7 | -70.2 | 163 | 0 | 0 | 0 | 109.9 | V123 F152 V165 Q194 V195 Y197 T230 V232 L245 | V123-L150 HydrophobicContact CG1-CD2 4.21Å; L150-F152 HydrophobicContact CB-CD2 4.48Å; L150-F152 HydrophobicContact CB-CE2 3.66Å; L150-F152 HydrophobicContact CB-CZ 3.72Å; L150-F152 HydrophobicContact CD1-CZ 4.01Å; L150-F152 HydrophobicContact CG-CZ 4.47Å; L150-V165 HydrophobicContact CD1-CG1 3.59Å; L150-V165 HydrophobicContact CD1-CG2 4.44Å; L150-Q194 WeakPolarHBondContact O-CA 3.38Å; L150-V195 PolarHBondContact N-O 3.14Å; L150-V195 PolarHBondContact O-N 2.98Å; L150-Y197 HydrophobicContact CD1-CD1 4.18Å; L150-Y197 HydrophobicContact CD1-CE1 3.69Å; L150-Y197 HydrophobicContact CG-CD1 4.4Å; L150-Y197 HydrophobicContact CG-CE1 3.67Å; L150-T230 HydrophobicContact CD1-CG2 3.95Å; L150-T230 HydrophobicContact CD2-CG2 4.3Å; L150-V232 HydrophobicContact CD1-CG2 4.28Å; L150-L245 HydrophobicContact CD2-CD1 3.92Å |
| 151 | N | 95.4 | Very high | 94.6 | Very high | 48 Ų | 48 | 28 Ų | 28 | 26% | 0.257 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 122.6 | 172.3 | -167.8 | 3.8 | 0 | 0 | 0 | 109.7 | V124 S193 Q194 | V124-N151 PolarHBondContact N-O 2.82Å; V124-N151 PolarHBondContact O-N 2.89Å; N151-S193 PolarHBondContact OD1-O 2.83Å; N151-Q194 HydrophobicContact CB-CG 4.45Å |
| 152 | F | 95.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 134.4 | 178.7 | -57.9 | -84.9 | 0 | 0 | 0 | 109.6 | V123 L150 V162 V165 I187 H192 S193 V195 V232 | V123-F152 HydrophobicContact CB-CD1 4.44Å; V123-F152 HydrophobicContact CB-CE1 4.5Å; V123-F152 HydrophobicContact CG1-CD1 3.95Å; V123-F152 HydrophobicContact CG1-CE1 3.66Å; V123-F152 HydrophobicContact CG1-CZ 4.42Å; V123-F152 HydrophobicContact CG2-CD1 3.92Å; V123-F152 HydrophobicContact CG2-CE1 4.07Å; L150-F152 HydrophobicContact CB-CD2 4.48Å; L150-F152 HydrophobicContact CB-CE2 3.66Å; L150-F152 HydrophobicContact CB-CZ 3.72Å; L150-F152 HydrophobicContact CD1-CZ 4.01Å; L150-F152 HydrophobicContact CG-CZ 4.47Å; F152-V162 HydrophobicContact CD1-CG2 4.45Å; F152-V162 HydrophobicContact CE1-CG2 4.45Å; F152-V165 HydrophobicContact CZ-CG2 4.29Å; F152-I187 HydrophobicContact CB-CD1 3.51Å; F152-I187 HydrophobicContact CB-CG1 4.22Å; F152-I187 HydrophobicContact CD1-CD1 4.28Å; F152-I187 HydrophobicContact CG-CD1 4.01Å; F152-H192 CarbonylContact O-C 3.56Å; F152-H192 VanDerWaalsContact O-CA 3.22Å; F152-H192 WeakPolarHBondContact O-CA 3.43Å; F152-S193 PolarHBondContact N-O 3.44Å; F152-S193 PolarHBondContact O-N 2.79Å; F152-V195 HydrophobicContact CD2-CG2 4.16Å; F152-V195 HydrophobicContact CE2-CB 3.9Å; F152-V195 HydrophobicContact CE2-CG2 3.65Å; F152-V232 HydrophobicContact CE1-CB 4.44Å; F152-V232 HydrophobicContact CE1-CG1 3.63Å; F152-V232 HydrophobicContact CE1-CG2 4.08Å; F152-V232 HydrophobicContact CZ-CG1 4.33Å; F152-V232 HydrophobicContact CZ-CG2 4.41Å |
| 153 | S | 95.5 | Very high | 94.7 | Very high | 29 Ų | 29 | 28.4 Ų | 28.4 | 20% | 0.203 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 124.7 | 171.1 | -179.4 | 0 | 0 | 0 | 0 | 109.8 | V121 V122 P155 H192 | V121-S153 WeakPolarHBondContact CG1-O 3.42Å; V122-S153 PolarHBondContact N-O 3.4Å; V122-S153 PolarHBondContact O-N 2.89Å; S153-P155 VanDerWaalsContact O-CD 3.24Å; S153-P155 WeakPolarHBondContact O-CD 2.96Å; S153-H192 WeakPolarHBondContact CB-ND1 3.34Å; S153-H192 PolarHBondContact OG-CE1 2.79Å; S153-H192 PolarHBondContact OG-ND1 2.86Å |
| 154 | N | 95.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | trans | -104.7 | 100.8 | 179.1 | -178.9 | 22.8 | 0 | 0 | 0 | 110.7 | N156 F158 I187 Q188 L190 S191 | N154-N156 PolarHBondContact O-N 3.44Å; N154-N156 WeakPolarHBondContact OD1-CB 3.37Å; N154-N156 PolarHBondContact OD1-N 2.77Å; N154-N156 VanDerWaalsContact OD1-N 3.09Å; N154-N156 PolarHBondContact OD1-ND2 2.88Å; N154-F158 PolarHBondContact ND2-O 3.48Å; N154-I187 HydrophobicContact CB-CB 4.12Å; N154-I187 HydrophobicContact CB-CG2 3.45Å; N154-I187 VanDerWaalsContact CB-CG2 3.45Å; N154-Q188 PolarHBondContact ND2-O 2.92Å; N154-L190 CarbonylContact O-C 3.6Å; N154-L190 WeakPolarHBondContact O-CA 3.29Å; N154-L190 PolarHBondContact O-N 2.98Å; N154-S191 PolarHBondContact N-O 2.89Å; N154-S191 PolarHBondContact O-N 2.89Å | ||
| 155 | P | 93.7 | Very high | 94.8 | Very high | 36 Ų | 36 | 26.7 Ų | 26.7 | 23% | 0.234 | 15% | 0.146 | C | C | . | . | trans | -79.4 | 2.8 | 175.9 | 33.2 | -36.4 | 0 | 0 | 0 | 113.6 | R119 S120 S153 | R119-P155 HydrophobicContact CB-CG 3.93Å; S120-P155 WeakPolarHBondContact O-CG 3.48Å; S153-P155 VanDerWaalsContact O-CD 3.24Å; S153-P155 WeakPolarHBondContact O-CD 2.96Å | ||
| 156 | N | 93.6 | Very high | 94.8 | Very high | 3 Ų | 3 | 24.8 Ų | 24.8 | 2% | 0.016 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -83.6 | 158.6 | 179.9 | -61.8 | -78 | 0 | 0 | 0 | 112.2 | R119 N154 F158 P189 L190 | R119-N156 WeakPolarHBondContact CA-OD1 3.47Å; R119-N156 WeakPolarHBondContact CB-OD1 3.46Å; R119-N156 PolarHBondContact N-OD1 3.12Å; R119-N156 PolarHBondContact O-ND2 2.99Å; R119-N156 PolarHBondContact O-OD1 3.43Å; N154-N156 PolarHBondContact O-N 3.44Å; N154-N156 WeakPolarHBondContact OD1-CB 3.37Å; N154-N156 PolarHBondContact OD1-N 2.77Å; N154-N156 VanDerWaalsContact OD1-N 3.09Å; N154-N156 PolarHBondContact OD1-ND2 2.88Å; N156-F158 VanDerWaalsContact C-N 3.26Å; N156-F158 HydrophobicContact CB-CD1 4.11Å; N156-F158 HydrophobicContact CB-CD2 4.08Å; N156-F158 HydrophobicContact CB-CE1 3.86Å; N156-F158 HydrophobicContact CB-CE2 3.81Å; N156-F158 HydrophobicContact CB-CG 4.21Å; N156-F158 HydrophobicContact CB-CZ 3.71Å; N156-F158 WeakPolarHBondContact OD1-CZ 3.49Å; N156-P189 WeakPolarHBondContact O-CA 3.45Å; N156-L190 PolarHBondContact O-N 2.9Å |
| 157 | F | 93.3 | Very high | 94.9 | Very high | 82 Ų | 82 | 24.6 Ų | 24.6 | 36% | 0.36 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -86.1 | 6.2 | 173.2 | -63.3 | -85.6 | 0 | 0 | 0 | 113.4 | F114 F115 L190 | F114-F157 HydrophobicContact CE1-CE2 4.08Å; F114-F157 HydrophobicContact CE1-CZ 4.32Å; F115-F157 HydrophobicContact CD1-CB 4.43Å; F115-F157 HydrophobicContact CD1-CD1 4.14Å; F115-F157 AromaticContact CD1-CD2 3.78Å; F115-F157 HydrophobicContact CD1-CD2 3.78Å; F115-F157 HydrophobicContact CD1-CE1 4.31Å; F115-F157 AromaticContact CD1-CE2 3.98Å; F115-F157 HydrophobicContact CD1-CE2 3.98Å; F115-F157 AromaticContact CD1-CG 3.86Å; F115-F157 HydrophobicContact CD1-CG 3.86Å; F115-F157 HydrophobicContact CD1-CZ 4.25Å; F115-F157 HydrophobicContact CE1-CD1 4.29Å; F115-F157 HydrophobicContact CE1-CD2 4.46Å; F115-F157 HydrophobicContact CE1-CE1 4.12Å; F115-F157 HydrophobicContact CE1-CE2 4.31Å; F115-F157 HydrophobicContact CE1-CG 4.45Å; F115-F157 HydrophobicContact CE1-CZ 4.14Å; F157-L190 HydrophobicContact CD1-CD1 3.88Å; F157-L190 HydrophobicContact CD1-CG 4.3Å; F157-L190 HydrophobicContact CE1-CD1 3.74Å; F157-L190 HydrophobicContact CE1-CD2 4.38Å; F157-L190 HydrophobicContact CE1-CG 4.41Å |
| 158 | F | 92.1 | Very high | 95 | Very high | 32 Ų | 32 | 26.5 Ų | 26.5 | 14% | 0.14 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -128 | 158.3 | 177.2 | 52.8 | -100.1 | 0 | 0 | 0 | 111.2 | P118 N154 N156 V160 Y236 | P118-F158 HydrophobicContact CB-CZ 4.06Å; N154-F158 PolarHBondContact ND2-O 3.48Å; N156-F158 VanDerWaalsContact C-N 3.26Å; N156-F158 HydrophobicContact CB-CD1 4.11Å; N156-F158 HydrophobicContact CB-CD2 4.08Å; N156-F158 HydrophobicContact CB-CE1 3.86Å; N156-F158 HydrophobicContact CB-CE2 3.81Å; N156-F158 HydrophobicContact CB-CG 4.21Å; N156-F158 HydrophobicContact CB-CZ 3.71Å; N156-F158 WeakPolarHBondContact OD1-CZ 3.49Å; F158-V160 HydrophobicContact CD2-CG2 4.2Å; F158-V160 HydrophobicContact CE2-CG2 4.04Å; F158-Y236 AromaticContact CE2-CD2 3.95Å; F158-Y236 HydrophobicContact CE2-CD2 3.95Å; F158-Y236 AromaticContact CE2-CG 3.9Å; F158-Y236 HydrophobicContact CE2-CG 3.9Å; F158-Y236 HydrophobicContact CZ-CD2 4.17Å |
| 159 | T | 93.5 | Very high | 95.2 | Very high | 78 Ų | 78 | 26.5 Ų | 26.5 | 48% | 0.479 | 14% | 0.144 | S | C | . | . | trans | -70.5 | 138.2 | 178.5 | -53.7 | 0 | 0 | 0 | 0 | 110.8 | I187 | T159-I187 WeakPolarHBondContact CA-O 3.15Å; T159-I187 WeakPolarHBondContact CG2-O 3.34Å | ||
| 160 | V | 94.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 133.4 | 175.1 | -177 | 0 | 0 | 0 | 0 | 109.6 | V121 F158 I187 T234 Y236 | V121-V160 HydrophobicContact CG2-CB 4.32Å; V121-V160 HydrophobicContact CG2-CG1 4Å; V121-V160 HydrophobicContact CG2-CG2 4.02Å; F158-V160 HydrophobicContact CD2-CG2 4.2Å; F158-V160 HydrophobicContact CE2-CG2 4.04Å; V160-I187 PolarHBondContact N-O 2.82Å; V160-I187 PolarHBondContact O-N 2.76Å; V160-T234 HydrophobicContact CG1-CG2 4.37Å; V160-Y236 HydrophobicContact CG1-CD1 4.25Å |
| 161 | L | 95 | Very high | 95.2 | Very high | 58 Ų | 58 | 28.5 Ų | 28.5 | 30% | 0.304 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 128.8 | 173.3 | 173.4 | 67.6 | 0 | 0 | 0 | 109.3 | Q163 T186 T234 S235 | L161-Q163 HydrophobicContact CD2-CG 4.41Å; L161-Q163 PolarHBondContact O-N 2.91Å; L161-T186 HydrophobicContact CB-CG2 4.44Å; L161-T186 HydrophobicContact CD1-CG2 3.45Å; L161-T186 VanDerWaalsContact CD1-CG2 3.45Å; L161-T234 CarbonylContact O-C 3.49Å; L161-T234 WeakPolarHBondContact O-CA 3.43Å; L161-S235 PolarHBondContact N-O 2.8Å; L161-S235 PolarHBondContact O-N 2.85Å |
| 162 | V | 95.8 | Very high | 95 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 107.4 | 166.7 | -175 | 0 | 0 | 0 | 0 | 106.6 | F152 V165 N183 P184 T185 I187 V232 T234 | F152-V162 HydrophobicContact CD1-CG2 4.45Å; F152-V162 HydrophobicContact CE1-CG2 4.45Å; V162-V165 HydrophobicContact CG1-CG2 3.78Å; V162-N183 WeakPolarHBondContact O-CA 3.48Å; V162-P184 HydrophobicContact CB-CG 4.06Å; V162-P184 HydrophobicContact CG1-CG 3.63Å; V162-P184 WeakPolarHBondContact O-CD 3.45Å; V162-T185 HydrophobicContact CB-CG2 4.11Å; V162-T185 WeakPolarHBondContact CB-O 3.47Å; V162-T185 HydrophobicContact CG2-CG2 3.64Å; V162-T185 PolarHBondContact N-O 3.19Å; V162-I187 HydrophobicContact CG2-CD1 3.81Å; V162-I187 HydrophobicContact CG2-CG1 4.15Å; V162-V232 HydrophobicContact CG1-CG1 3.94Å; V162-T234 HydrophobicContact CG2-CG2 4.48Å |
| 163 | Q | 95 | Very high | 94.7 | Very high | 57 Ų | 57 | 42.2 Ų | 42.2 | 27% | 0.266 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | -46.2 | -176.4 | -72 | -168.4 | -26.8 | 0 | 0 | 111.9 | L161 N183 K233 S235 | L161-Q163 HydrophobicContact CD2-CG 4.41Å; L161-Q163 PolarHBondContact O-N 2.91Å; Q163-N183 PolarHBondContact O-N 2.81Å; Q163-K233 HydrophobicContact CB-CB 4.49Å; Q163-K233 HydrophobicContact CB-CG 4.42Å; Q163-K233 PolarHBondContact N-O 2.02Å; Q163-S235 VanDerWaalsContact CD-CB 3.42Å; Q163-S235 WeakPolarHBondContact CG-OG 3.36Å; Q163-S235 PolarHBondContact NE2-OG 2.87Å; Q163-S235 VanDerWaalsContact NE2-OG 3.14Å |
| 164 | S | 96.3 | Very high | 94.6 | Very high | 24 Ų | 24 | 43.4 Ų | 43.4 | 17% | 0.168 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 147.4 | 178.2 | 63.8 | 0 | 0 | 0 | 0 | 111.9 | L181 K233 | S164-L181 CarbonylContact C-O 3.5Å; S164-L181 WeakPolarHBondContact CA-O 3.44Å; S164-K233 PolarHBondContact N-O 3.08Å; S164-K233 PolarHBondContact O-N 3.18Å; S164-K233 WeakPolarHBondContact OG-CB 3.34Å |
| 165 | V | 96.8 | Very high | 94.7 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.012 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 115.2 | 168.9 | 175.2 | 0 | 0 | 0 | 0 | 106.2 | L150 F152 V162 Q180 L181 P184 T230 V232 | L150-V165 HydrophobicContact CD1-CG1 3.59Å; L150-V165 HydrophobicContact CD1-CG2 4.44Å; F152-V165 HydrophobicContact CZ-CG2 4.29Å; V162-V165 HydrophobicContact CG1-CG2 3.78Å; V165-Q180 CarbonylContact O-C 3.54Å; V165-Q180 WeakPolarHBondContact O-CA 3.49Å; V165-L181 HydrophobicContact CB-CB 4.42Å; V165-L181 PolarHBondContact N-O 2.85Å; V165-L181 PolarHBondContact O-N 3.34Å; V165-P184 HydrophobicContact CG2-CG 3.87Å; V165-T230 HydrophobicContact CG1-CG2 4.14Å; V165-V232 HydrophobicContact CG2-CG1 4.3Å; V165-V232 HydrophobicContact CG2-CG2 4.22Å |
| 166 | S | 96.8 | Very high | 94.8 | Very high | 34 Ų | 34 | 46 Ų | 46 | 24% | 0.238 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 124.8 | 175.9 | -176.2 | 0 | 0 | 0 | 0 | 108.7 | R179 T230 S231 | S166-R179 CarbonylContact C-O 3.6Å; S166-R179 WeakPolarHBondContact CA-O 3.28Å; S166-T230 CarbonylContact O-C 3.49Å; S166-T230 WeakPolarHBondContact O-CA 3.24Å; S166-S231 PolarHBondContact N-O 3.31Å; S166-S231 PolarHBondContact O-N 3.15Å |
| 167 | C | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 132.1 | 176.7 | -175.9 | 0 | 0 | 0 | 0 | 109.2 | T178 R179 Y197 V199 M228 Q229 T230 | C167-T178 CarbonylContact O-C 3.58Å; C167-T178 WeakPolarHBondContact O-CA 3.39Å; C167-R179 PolarHBondContact N-O 3.25Å; C167-R179 PolarHBondContact O-N 3.16Å; C167-Y197 HydrophobicContact CB-CD2 4.28Å; C167-Y197 HydrophobicContact CB-CE2 3.62Å; C167-V199 HydrophobicContact CB-CG2 4.17Å; C167-M228 WeakPolarHBondContact SG-CG 3.48Å; C167-Q229 CarbonylContact C-O 3.55Å; C167-Q229 WeakPolarHBondContact CA-O 3.49Å; C167-T230 PolarHBondContact SG-OG1 2.82Å; C167-T230 VanDerWaalsContact SG-OG1 3.34Å |
| 168 | Q | 97.2 | Very high | 95 | Very high | 68 Ų | 68 | 46.8 Ų | 46.8 | 32% | 0.318 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 129.4 | 172.1 | -57.2 | -174.4 | 19.4 | 0 | 0 | 108.4 | L170 T178 Q229 | Q168-L170 HydrophobicContact CB-CD1 3.93Å; Q168-T178 HydrophobicContact CG-CG2 4.23Å; Q168-Q229 PolarHBondContact N-O 3.43Å; Q168-Q229 PolarHBondContact O-N 2.85Å |
| 169 | V | 96.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 125.1 | 175.1 | -178.4 | 0 | 0 | 0 | 0 | 107.7 | V176 G177 V199 V201 V226 M228 | V169-V176 HydrophobicContact CB-CG2 4.4Å; V169-V176 HydrophobicContact CG1-CG2 3.99Å; V169-V176 VanDerWaalsContact O-CG2 3.26Å; V169-V176 WeakPolarHBondContact O-CG2 3.38Å; V169-V176 PolarHBondContact O-N 3.47Å; V169-G177 PolarHBondContact N-O 2.82Å; V169-G177 PolarHBondContact O-N 2.82Å; V169-V199 HydrophobicContact CG2-CB 4.29Å; V169-V199 HydrophobicContact CG2-CG1 3.82Å; V169-V201 HydrophobicContact CB-CG2 4.08Å; V169-V201 HydrophobicContact CG1-CG2 3.96Å; V169-V201 HydrophobicContact CG2-CG2 4.18Å; V169-V226 HydrophobicContact CG1-CB 3.83Å; V169-V226 HydrophobicContact CG1-CG1 4.21Å; V169-V226 HydrophobicContact CG1-CG2 4.11Å; V169-M228 HydrophobicContact CG2-CG 4.31Å |
| 170 | L | 96.3 | Very high | 95.4 | Very high | 26 Ų | 26 | 53.1 Ų | 53.1 | 14% | 0.136 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 136.7 | -176.5 | -66 | 84.3 | 0 | 0 | 0 | 110.2 | Q168 T174 V175 V226 F227 Q229 | Q168-L170 HydrophobicContact CB-CD1 3.93Å; L170-T174 CarbonylContact C-O 3.55Å; L170-T174 WeakPolarHBondContact CA-O 3.45Å; L170-V175 HydrophobicContact CD2-CG2 4.28Å; L170-V175 HydrophobicContact CG-CG2 4.08Å; L170-V226 WeakPolarHBondContact O-CA 3.36Å; L170-F227 HydrophobicContact CB-CB 4.28Å; L170-F227 HydrophobicContact CB-CD1 4.34Å; L170-F227 HydrophobicContact CD1-CD1 4.13Å; L170-F227 PolarHBondContact N-O 3.28Å; L170-F227 PolarHBondContact O-N 2.84Å; L170-Q229 HydrophobicContact CD1-CB 4.39Å |
| 171 | Y | 94.9 | Very high | 95.5 | Very high | 21 Ų | 21 | 54.8 Ų | 54.8 | 8% | 0.082 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 121 | 169.7 | -178.9 | -101.1 | 0 | 0 | 0 | 108.7 | K173 T174 I203 A207 Y209 V210 I224 V225 | Y171-K173 PolarHBondContact O-N 2.81Å; Y171-K173 VanDerWaalsContact O-N 3.15Å; Y171-T174 PolarHBondContact N-O 2.97Å; Y171-T174 WeakPolarHBondContact O-CB 3.43Å; Y171-T174 PolarHBondContact O-N 3.04Å; Y171-I203 HydrophobicContact CD1-CG2 4.3Å; Y171-I203 HydrophobicContact CD2-CD1 4.27Å; Y171-I203 HydrophobicContact CG-CD1 4.21Å; Y171-A207 HydrophobicContact CD1-CB 4.31Å; Y171-A207 HydrophobicContact CE1-CB 3.95Å; Y171-Y209 WeakPolarHBondContact CE1-OH 3.47Å; Y171-Y209 PolarHBondContact OH-OH 3.13Å; Y171-V210 HydrophobicContact CE1-CG2 3.78Å; Y171-V210 WeakPolarHBondContact OH-CG2 3.49Å; Y171-I224 HydrophobicContact CE2-CB 4.29Å; Y171-V225 WeakPolarHBondContact CD2-O 3.3Å |
| 172 | M | 90.6 | Very high | 95.5 | Very high | 140 Ų | 140 | 57 Ų | 57 | 69% | 0.69 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.8 | 42.8 | -176 | -63.3 | -66.3 | -175.9 | 0 | 0 | 113 | T174 | M172-T174 PolarHBondContact O-N 2.97Š|
| 173 | K | 89.3 | Confident | 95.4 | Very high | 196 Ų | 196 | 61.9 Ų | 61.9 | 85% | 0.852 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.8 | 1.2 | -175.6 | -50.7 | 178 | 177.8 | 177.5 | 0 | 116.5 | Y171 | Y171-K173 PolarHBondContact O-N 2.81Å; Y171-K173 VanDerWaalsContact O-N 3.15Å |
| 174 | T | 93.9 | Very high | 95.2 | Very high | 54 Ų | 54 | 61 Ų | 61 | 33% | 0.331 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 130 | 172.6 | -56.2 | 0 | 0 | 0 | 0 | 109.5 | L170 Y171 M172 V176 | L170-T174 CarbonylContact C-O 3.55Å; L170-T174 WeakPolarHBondContact CA-O 3.45Å; Y171-T174 PolarHBondContact N-O 2.97Å; Y171-T174 WeakPolarHBondContact O-CB 3.43Å; Y171-T174 PolarHBondContact O-N 3.04Å; M172-T174 PolarHBondContact O-N 2.97Å; T174-V176 PolarHBondContact O-N 3.4Å |
| 175 | V | 95.9 | Very high | 95.1 | Very high | 70 Ų | 70 | 61.4 Ų | 61.4 | 42% | 0.424 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 117.6 | 173.8 | -177 | 0 | 0 | 0 | 0 | 109 | L170 T178 | L170-V175 HydrophobicContact CD2-CG2 4.28Å; L170-V175 HydrophobicContact CG-CG2 4.08Å; V175-T178 HydrophobicContact CG1-CG2 3.52Å |
| 176 | V | 95.6 | Very high | 95 | Very high | 22 Ų | 22 | 65.3 Ų | 65.3 | 13% | 0.133 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | -10 | -178.1 | -71 | 0 | 0 | 0 | 0 | 112.7 | V169 T174 V201 E202 I203 | V169-V176 HydrophobicContact CB-CG2 4.4Å; V169-V176 HydrophobicContact CG1-CG2 3.99Å; V169-V176 VanDerWaalsContact O-CG2 3.26Å; V169-V176 WeakPolarHBondContact O-CG2 3.38Å; V169-V176 PolarHBondContact O-N 3.47Å; T174-V176 PolarHBondContact O-N 3.4Å; V176-V201 HydrophobicContact CB-CG1 4.01Å; V176-V201 HydrophobicContact CG2-CG1 3.66Å; V176-V201 WeakPolarHBondContact O-CA 3.27Å; V176-E202 WeakPolarHBondContact CB-O 3Å; V176-E202 PolarHBondContact O-N 2.94Å; V176-I203 HydrophobicContact CB-CG1 4.08Å; V176-I203 HydrophobicContact CG1-CG1 4.04Å; V176-I203 HydrophobicContact CG2-CD1 4.48Å; V176-I203 HydrophobicContact CG2-CG1 4.36Å |
| 177 | G | 95.8 | Very high | 94.9 | Very high | 8 Ų | 8 | 63.7 Ų | 63.7 | 8% | 0.082 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.1 | 145.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | V169 S200 | V169-G177 PolarHBondContact N-O 2.82Å; V169-G177 PolarHBondContact O-N 2.82Å; G177-S200 VanDerWaalsContact CA-O 3.3Å; G177-S200 WeakPolarHBondContact CA-O 3.42Å |
| 178 | T | 97.1 | Very high | 94.9 | Very high | 93 Ų | 93 | 70.2 Ų | 70.2 | 57% | 0.571 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 145.4 | 174 | 60.7 | 0 | 0 | 0 | 0 | 110.1 | C167 Q168 V175 | C167-T178 CarbonylContact O-C 3.58Å; C167-T178 WeakPolarHBondContact O-CA 3.39Å; Q168-T178 HydrophobicContact CG-CG2 4.23Å; V175-T178 HydrophobicContact CG1-CG2 3.52Å |
| 179 | R | 97.3 | Very high | 94.7 | Very high | 128 Ų | 128 | 69.7 Ų | 69.7 | 48% | 0.483 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 134.7 | 173.5 | -171.4 | 66.9 | -178 | 175.6 | 0 | 109.9 | S166 C167 L181 T198 V199 | S166-R179 CarbonylContact C-O 3.6Å; S166-R179 WeakPolarHBondContact CA-O 3.28Å; C167-R179 PolarHBondContact N-O 3.25Å; C167-R179 PolarHBondContact O-N 3.16Å; R179-L181 HydrophobicContact CG-CD1 3.66Å; R179-T198 WeakPolarHBondContact CD-O 3.4Å; R179-T198 WeakPolarHBondContact CG-O 3.16Å; R179-V199 HydrophobicContact CB-CB 4.31Å; R179-V199 HydrophobicContact CB-CG1 4.17Å; R179-V199 HydrophobicContact CB-CG2 3.8Å |
| 180 | Q | 96.3 | Very high | 94.6 | Very high | 114 Ų | 114 | 74.8 Ų | 74.8 | 53% | 0.533 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 130.6 | 170.9 | -175.4 | 173.1 | -14.9 | 0 | 0 | 109.2 | V165 D182 | V165-Q180 CarbonylContact O-C 3.54Å; V165-Q180 WeakPolarHBondContact O-CA 3.49Å; Q180-D182 PolarHBondContact NE2-OD1 3.23Å |
| 181 | L | 96.2 | Very high | 94.6 | Very high | 35 Ų | 35 | 74.8 Ų | 74.8 | 18% | 0.183 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 128.5 | 168.9 | -82.6 | 70.4 | 0 | 0 | 0 | 107.8 | S164 V165 R179 P184 V195 | S164-L181 CarbonylContact C-O 3.5Å; S164-L181 WeakPolarHBondContact CA-O 3.44Å; V165-L181 HydrophobicContact CB-CB 4.42Å; V165-L181 PolarHBondContact N-O 2.85Å; V165-L181 PolarHBondContact O-N 3.34Å; R179-L181 HydrophobicContact CG-CD1 3.66Å; L181-P184 HydrophobicContact CB-CB 4.21Å; L181-P184 HydrophobicContact CB-CG 4.43Å; L181-P184 HydrophobicContact CD2-CB 4.13Å; L181-V195 HydrophobicContact CD2-CG1 4.19Å |
| 182 | D | 95.4 | Very high | 94.6 | Very high | 105 Ų | 105 | 80.1 Ų | 80.1 | 56% | 0.561 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105 | 132.4 | 176.2 | -60 | -44.5 | 0 | 0 | 0 | 110 | Q180 P184 | Q180-D182 PolarHBondContact NE2-OD1 3.23Å; D182-P184 VanDerWaalsContact C-CD 3.47Å |
| 183 | N | 92.6 | Very high | 94.7 | Very high | 103 Ų | 103 | 74.5 Ų | 74.5 | 55% | 0.551 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 47 | 50.9 | -175.2 | -57.4 | -62.5 | 0 | 0 | 0 | 114.5 | V162 Q163 T185 | V162-N183 WeakPolarHBondContact O-CA 3.48Å; Q163-N183 PolarHBondContact O-N 2.81Å; N183-T185 VanDerWaalsContact C-N 3.33Å; N183-T185 PolarHBondContact O-N 2.88Å |
| 184 | P | 91.6 | Very high | 95 | Very high | 39 Ų | 39 | 71 Ų | 71 | 25% | 0.253 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | -32.6 | -173.1 | 24.1 | -35.2 | 0 | 0 | 0 | 114.3 | V162 V165 L181 D182 V195 | V162-P184 HydrophobicContact CB-CG 4.06Å; V162-P184 HydrophobicContact CG1-CG 3.63Å; V162-P184 WeakPolarHBondContact O-CD 3.45Å; V165-P184 HydrophobicContact CG2-CG 3.87Å; L181-P184 HydrophobicContact CB-CB 4.21Å; L181-P184 HydrophobicContact CB-CG 4.43Å; L181-P184 HydrophobicContact CD2-CB 4.13Å; D182-P184 VanDerWaalsContact C-CD 3.47Å; P184-V195 HydrophobicContact CB-CG1 4.07Å; P184-V195 HydrophobicContact CB-CG2 4.49Å |
| 185 | T | 94.6 | Very high | 95 | Very high | 32 Ų | 32 | 69.1 Ų | 69.1 | 20% | 0.196 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | 161.6 | -177.1 | -164.5 | 0 | 0 | 0 | 0 | 112.7 | V162 N183 I187 S193 V195 | V162-T185 HydrophobicContact CB-CG2 4.11Å; V162-T185 WeakPolarHBondContact CB-O 3.47Å; V162-T185 HydrophobicContact CG2-CG2 3.64Å; V162-T185 PolarHBondContact N-O 3.19Å; N183-T185 VanDerWaalsContact C-N 3.33Å; N183-T185 PolarHBondContact O-N 2.88Å; T185-I187 HydrophobicContact CG2-CG1 4.41Å; T185-S193 PolarHBondContact OG1-OG 2.64Å; T185-V195 HydrophobicContact CG2-CG2 3.53Å |
| 186 | T | 94.5 | Very high | 95 | Very high | 84 Ų | 84 | 69.9 Ų | 69.9 | 52% | 0.515 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 136.3 | 166.9 | 53.6 | 0 | 0 | 0 | 0 | 108.8 | L161 | L161-T186 HydrophobicContact CB-CG2 4.44Å; L161-T186 HydrophobicContact CD1-CG2 3.45Å; L161-T186 VanDerWaalsContact CD1-CG2 3.45Å |
| 187 | I | 95.5 | Very high | 95 | Very high | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 119.5 | -176.6 | -45.1 | 160.4 | 0 | 0 | 0 | 108 | V121 F152 N154 T159 V160 V162 T185 | V121-I187 HydrophobicContact CG1-CD1 4.1Å; F152-I187 HydrophobicContact CB-CD1 3.51Å; F152-I187 HydrophobicContact CB-CG1 4.22Å; F152-I187 HydrophobicContact CD1-CD1 4.28Å; F152-I187 HydrophobicContact CG-CD1 4.01Å; N154-I187 HydrophobicContact CB-CB 4.12Å; N154-I187 HydrophobicContact CB-CG2 3.45Å; N154-I187 VanDerWaalsContact CB-CG2 3.45Å; T159-I187 WeakPolarHBondContact CA-O 3.15Å; T159-I187 WeakPolarHBondContact CG2-O 3.34Å; V160-I187 PolarHBondContact N-O 2.82Å; V160-I187 PolarHBondContact O-N 2.76Å; V162-I187 HydrophobicContact CG2-CD1 3.81Å; V162-I187 HydrophobicContact CG2-CG1 4.15Å; T185-I187 HydrophobicContact CG2-CG1 4.41Å |
| 188 | Q | 95.4 | Very high | 95 | Very high | 136 Ų | 136 | 71.4 Ų | 71.4 | 64% | 0.636 | 37% | 0.374 | S | S | * | . | trans | -66.8 | 162.6 | 179.5 | -64.4 | -176.1 | 8.9 | 0 | 0 | 111.4 | N154 L190 S191 | N154-Q188 PolarHBondContact ND2-O 2.92Å; Q188-L190 PolarHBondContact O-N 3.02Å; Q188-S191 VanDerWaalsContact C-OG 3.25Å; Q188-S191 WeakPolarHBondContact CA-OG 3.5Å; Q188-S191 WeakPolarHBondContact CB-OG 3.43Å; Q188-S191 PolarHBondContact N-OG 2.83Å; Q188-S191 VanDerWaalsContact N-OG 3.11Å; Q188-S191 PolarHBondContact O-N 3.38Å; Q188-S191 PolarHBondContact O-OG 3.37Å | ||
| 189 | P | 94.4 | Very high | 95 | Very high | 57 Ų | 57 | 67 Ų | 67 | 37% | 0.37 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 138.3 | 173.3 | -25.5 | 35.2 | 0 | 0 | 0 | 112.1 | N156 S191 | N156-P189 WeakPolarHBondContact O-CA 3.45Å; P189-S191 PolarHBondContact O-N 2.97Å |
| 190 | L | 93.7 | Very high | 95 | Very high | 107 Ų | 107 | 64.5 Ų | 64.5 | 56% | 0.56 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 32.6 | 175.9 | -59 | 172.8 | 0 | 0 | 0 | 114.4 | N154 N156 F157 Q188 | N154-L190 CarbonylContact O-C 3.6Å; N154-L190 WeakPolarHBondContact O-CA 3.29Å; N154-L190 PolarHBondContact O-N 2.98Å; N156-L190 PolarHBondContact O-N 2.9Å; F157-L190 HydrophobicContact CD1-CD1 3.88Å; F157-L190 HydrophobicContact CD1-CG 4.3Å; F157-L190 HydrophobicContact CE1-CD1 3.74Å; F157-L190 HydrophobicContact CE1-CD2 4.38Å; F157-L190 HydrophobicContact CE1-CG 4.41Å; Q188-L190 PolarHBondContact O-N 3.02Å |
| 191 | S | 95.5 | Very high | 94.9 | Very high | 27 Ų | 27 | 59.4 Ų | 59.4 | 19% | 0.189 | 33% | 0.326 | C | S | . | . | trans | -124.7 | 170.8 | -172.5 | 78.2 | 0 | 0 | 0 | 0 | 113 | N154 Q188 P189 | N154-S191 PolarHBondContact N-O 2.89Å; N154-S191 PolarHBondContact O-N 2.89Å; Q188-S191 VanDerWaalsContact C-OG 3.25Å; Q188-S191 WeakPolarHBondContact CA-OG 3.5Å; Q188-S191 WeakPolarHBondContact CB-OG 3.43Å; Q188-S191 PolarHBondContact N-OG 2.83Å; Q188-S191 VanDerWaalsContact N-OG 3.11Å; Q188-S191 PolarHBondContact O-N 3.38Å; Q188-S191 PolarHBondContact O-OG 3.37Å; P189-S191 PolarHBondContact O-N 2.97Å | ||
| 192 | H | 94.7 | Very high | 94.9 | Very high | 132 Ų | 132 | 61.8 Ų | 61.8 | 61% | 0.611 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 145.8 | 175.7 | -62.2 | -99.1 | 0 | 0 | 0 | 110.1 | F152 S153 | F152-H192 CarbonylContact O-C 3.56Å; F152-H192 VanDerWaalsContact O-CA 3.22Å; F152-H192 WeakPolarHBondContact O-CA 3.43Å; S153-H192 WeakPolarHBondContact CB-ND1 3.34Å; S153-H192 PolarHBondContact OG-CE1 2.79Å; S153-H192 PolarHBondContact OG-ND1 2.86Å |
| 193 | S | 94.3 | Very high | 94.8 | Very high | 22 Ų | 22 | 56.9 Ų | 56.9 | 15% | 0.154 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 145.2 | 175.9 | -176.7 | 0 | 0 | 0 | 0 | 109.6 | N151 F152 T185 | N151-S193 PolarHBondContact OD1-O 2.83Å; F152-S193 PolarHBondContact N-O 3.44Å; F152-S193 PolarHBondContact O-N 2.79Å; T185-S193 PolarHBondContact OG1-OG 2.64Å |
| 194 | Q | 94.8 | Very high | 94.5 | Very high | 124 Ų | 124 | 52.3 Ų | 52.3 | 58% | 0.579 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 137.9 | 177.3 | -67.4 | 179.7 | 23 | 0 | 0 | 110 | T149 L150 N151 | T149-Q194 HydrophobicContact CG2-CB 4.4Å; L150-Q194 WeakPolarHBondContact O-CA 3.38Å; N151-Q194 HydrophobicContact CB-CG 4.45Å |
| 195 | V | 95.1 | Very high | 94.1 | Very high | 14 Ų | 14 | 54.5 Ų | 54.5 | 9% | 0.085 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 127.6 | 176.7 | -179.9 | 0 | 0 | 0 | 0 | 109.1 | T149 L150 F152 L181 P184 T185 | T149-V195 WeakPolarHBondContact CA-O 3.38Å; L150-V195 PolarHBondContact N-O 3.14Å; L150-V195 PolarHBondContact O-N 2.98Å; F152-V195 HydrophobicContact CD2-CG2 4.16Å; F152-V195 HydrophobicContact CE2-CB 3.9Å; F152-V195 HydrophobicContact CE2-CG2 3.65Å; L181-V195 HydrophobicContact CD2-CG1 4.19Å; P184-V195 HydrophobicContact CB-CG1 4.07Å; P184-V195 HydrophobicContact CB-CG2 4.49Å; T185-V195 HydrophobicContact CG2-CG2 3.53Å |
| 196 | N | 95.4 | Very high | 93.7 | Very high | 86 Ų | 86 | 58.7 Ų | 58.7 | 46% | 0.46 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 137.7 | 172.2 | -57.9 | -26 | 0 | 0 | 0 | 109 | S148 T149 | S148-N196 WeakPolarHBondContact O-CA 3.47Å; T149-N196 WeakPolarHBondContact CB-OD1 3.34Å; T149-N196 VanDerWaalsContact CG2-OD1 3.28Å; T149-N196 WeakPolarHBondContact CG2-OD1 3.45Å; T149-N196 PolarHBondContact OG1-OD1 2.96Å |
| 197 | Y | 94.9 | Very high | 93.5 | Very high | 5 Ų | 5 | 55 Ų | 55 | 2% | 0.02 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 146.8 | 176.1 | 64.3 | -73.8 | 0 | 0 | 0 | 109.7 | T147 S148 L150 C167 V199 M228 | T147-Y197 WeakPolarHBondContact CA-O 3.4Å; S148-Y197 PolarHBondContact N-O 3.07Å; S148-Y197 WeakPolarHBondContact O-CD1 3.21Å; S148-Y197 PolarHBondContact O-N 3.45Å; S148-Y197 PolarHBondContact OG-OH 3.32Å; L150-Y197 HydrophobicContact CD1-CD1 4.18Å; L150-Y197 HydrophobicContact CD1-CE1 3.69Å; L150-Y197 HydrophobicContact CG-CD1 4.4Å; L150-Y197 HydrophobicContact CG-CE1 3.67Å; C167-Y197 HydrophobicContact CB-CD2 4.28Å; C167-Y197 HydrophobicContact CB-CE2 3.62Å; Y197-V199 HydrophobicContact CD2-CG2 3.85Å; Y197-V199 HydrophobicContact CE2-CG2 3.82Å; Y197-M228 VanDerWaalsContact OH-CE 3.29Å; Y197-M228 WeakPolarHBondContact OH-CE 3.35Å |
| 198 | T | 96.1 | Very high | 93.1 | Very high | 56 Ų | 56 | 58.9 Ų | 58.9 | 34% | 0.344 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 127.6 | 179.6 | -54.3 | 0 | 0 | 0 | 0 | 109.4 | N145 M146 T147 R179 | N145-T198 HydrophobicContact CB-CG2 4.04Å; M146-T198 CarbonylContact O-C 3.58Å; M146-T198 VanDerWaalsContact O-CA 3.27Å; M146-T198 WeakPolarHBondContact O-CA 3.47Å; T147-T198 PolarHBondContact OG1-OG1 3.11Å; R179-T198 WeakPolarHBondContact CD-O 3.4Å; R179-T198 WeakPolarHBondContact CG-O 3.16Å |
| 199 | V | 97 | Very high | 92.9 | Very high | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.006 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 126.7 | 175.3 | -169.5 | 0 | 0 | 0 | 0 | 108.4 | M146 C167 V169 R179 Y197 V201 | M146-V199 PolarHBondContact N-O 3.05Å; M146-V199 PolarHBondContact O-N 2.7Å; C167-V199 HydrophobicContact CB-CG2 4.17Å; V169-V199 HydrophobicContact CG2-CB 4.29Å; V169-V199 HydrophobicContact CG2-CG1 3.82Å; R179-V199 HydrophobicContact CB-CB 4.31Å; R179-V199 HydrophobicContact CB-CG1 4.17Å; R179-V199 HydrophobicContact CB-CG2 3.8Å; Y197-V199 HydrophobicContact CD2-CG2 3.85Å; Y197-V199 HydrophobicContact CE2-CG2 3.82Å; V199-V201 HydrophobicContact CG1-CG2 4.32Å |
| 200 | S | 96.5 | Very high | 92.9 | Very high | 76 Ų | 76 | 55.9 Ų | 55.9 | 53% | 0.531 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 124.5 | 170.4 | -61.4 | 0 | 0 | 0 | 0 | 108.9 | M144 N145 G177 | M144-S200 CarbonylContact O-C 3.6Å; M144-S200 WeakPolarHBondContact O-CA 3.38Å; N145-S200 PolarHBondContact OD1-OG 3.24Å; G177-S200 VanDerWaalsContact CA-O 3.3Å; G177-S200 WeakPolarHBondContact CA-O 3.42Å |
| 201 | V | 95.6 | Very high | 92.9 | Very high | 7 Ų | 7 | 52.4 Ų | 52.4 | 4% | 0.042 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 130.5 | -175.8 | 177.2 | 0 | 0 | 0 | 0 | 108.4 | L143 M144 V169 V176 V199 I203 | L143-V201 CarbonylContact C-O 3.55Å; L143-V201 WeakPolarHBondContact CA-O 3.45Å; M144-V201 HydrophobicContact CB-CB 4.22Å; M144-V201 HydrophobicContact CE-CG1 3.93Å; M144-V201 PolarHBondContact N-O 2.83Å; M144-V201 PolarHBondContact O-N 3.43Å; V169-V201 HydrophobicContact CB-CG2 4.08Å; V169-V201 HydrophobicContact CG1-CG2 3.96Å; V169-V201 HydrophobicContact CG2-CG2 4.18Å; V176-V201 HydrophobicContact CB-CG1 4.01Å; V176-V201 HydrophobicContact CG2-CG1 3.66Å; V176-V201 WeakPolarHBondContact O-CA 3.27Å; V199-V201 HydrophobicContact CG1-CG2 4.32Å; V201-I203 HydrophobicContact CG1-CD1 4.11Å; V201-I203 HydrophobicContact CG1-CG1 3.85Å |
| 202 | E | 95.1 | Very high | 92.8 | Very high | 84 Ų | 84 | 53.9 Ų | 53.9 | 39% | 0.393 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 116.2 | 178.3 | -179.7 | 179.8 | 158.6 | 0 | 0 | 109.6 | K141 L143 V176 | K141-E202 HydrophobicContact CD-CG 4.2Å; K141-E202 WeakPolarHBondContact CD-OE1 3.43Å; K141-E202 WeakPolarHBondContact CE-OE1 3.33Å; K141-E202 IonicContact NZ-OE1 2.68Å; K141-E202 PolarHBondContact NZ-OE1 2.85Å; L143-E202 HydrophobicContact CD2-CB 3.92Å; L143-E202 HydrophobicContact CD2-CG 3.72Å; V176-E202 WeakPolarHBondContact CB-O 3Å; V176-E202 PolarHBondContact O-N 2.94Å |
| 203 | I | 94.3 | Very high | 92.8 | Very high | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 118.4 | 178.5 | -47.1 | -172.9 | 0 | 0 | 0 | 109.2 | V142 M144 Y171 V176 V201 A207 V210 I224 | V142-I203 PolarHBondContact N-O 2.78Å; V142-I203 PolarHBondContact O-N 3.33Å; M144-I203 HydrophobicContact CE-CD1 3.49Å; M144-I203 VanDerWaalsContact CE-CD1 3.49Å; M144-I203 HydrophobicContact CE-CG1 3.85Å; Y171-I203 HydrophobicContact CD1-CG2 4.3Å; Y171-I203 HydrophobicContact CD2-CD1 4.27Å; Y171-I203 HydrophobicContact CG-CD1 4.21Å; V176-I203 HydrophobicContact CB-CG1 4.08Å; V176-I203 HydrophobicContact CG1-CG1 4.04Å; V176-I203 HydrophobicContact CG2-CD1 4.48Å; V176-I203 HydrophobicContact CG2-CG1 4.36Å; V201-I203 HydrophobicContact CG1-CD1 4.11Å; V201-I203 HydrophobicContact CG1-CG1 3.85Å; I203-A207 HydrophobicContact CG2-CB 4.22Å; I203-V210 HydrophobicContact CB-CG1 4.43Å; I203-V210 HydrophobicContact CG2-CB 3.93Å; I203-V210 HydrophobicContact CG2-CG1 3.9Å; I203-V210 HydrophobicContact CG2-CG2 3.92Å; I203-I224 HydrophobicContact CD1-CD1 3.83Å |
| 204 | G | 86.6 | Confident | 92.7 | Very high | 8 Ų | 8 | 50.3 Ų | 50.3 | 8% | 0.082 | 28% | 0.278 | C | S | . | . | S | Bend | trans | 171 | -28.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | P208 | G204-P208 WeakPolarHBondContact O-CA 3.33Š|
| 205 | S | 83.1 | Confident | 92.6 | Very high | 85 Ų | 85 | 46.8 Ų | 46.8 | 59% | 0.594 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -60.5 | -54.3 | 178.7 | 48.1 | 0 | 0 | 0 | 0 | 112.8 | ||
| 206 | N | 86.2 | Confident | 92.5 | Very high | 119 Ų | 119 | 49.1 Ų | 49.1 | 64% | 0.636 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -95 | -9.3 | -177.8 | -65.2 | -2.4 | 0 | 0 | 0 | 113.1 | ||
| 207 | A | 89.5 | Confident | 92.1 | Very high | 8 Ų | 8 | 51 Ų | 51 | 7% | 0.066 | 29% | 0.293 | C | S | . | . | trans | -141.6 | 63.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y171 I203 Y209 V210 | Y171-A207 HydrophobicContact CD1-CB 4.31Å; Y171-A207 HydrophobicContact CE1-CB 3.95Å; I203-A207 HydrophobicContact CG2-CB 4.22Å; A207-Y209 HydrophobicContact CB-CD1 4.27Å; A207-Y209 HydrophobicContact CB-CE1 3.66Å; A207-Y209 PolarHBondContact O-N 2.8Å; A207-Y209 VanDerWaalsContact O-N 3.16Å; A207-V210 HydrophobicContact CB-CG2 3.78Å; A207-V210 WeakPolarHBondContact O-CB 3.22Å; A207-V210 WeakPolarHBondContact O-CG2 3.39Å; A207-V210 PolarHBondContact O-N 2.88Å | ||
| 208 | P | 87.5 | Confident | 91.8 | Very high | 80 Ų | 80 | 61.6 Ų | 61.6 | 52% | 0.519 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.9 | -21.1 | -175.5 | 26.8 | -35.8 | 0 | 0 | 0 | 113.3 | G204 V210 Y211 | G204-P208 WeakPolarHBondContact O-CA 3.33Å; P208-V210 PolarHBondContact O-N 3.36Å; P208-Y211 PolarHBondContact O-N 2.83Å |
| 209 | Y | 91.6 | Very high | 91.3 | Very high | 130 Ų | 130 | 62.2 Ų | 62.2 | 51% | 0.51 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.5 | -24.7 | 174.9 | 65.3 | -92.2 | 0 | 0 | 0 | 112.8 | Y171 A207 Y211 A212 F213 | Y171-Y209 WeakPolarHBondContact CE1-OH 3.47Å; Y171-Y209 PolarHBondContact OH-OH 3.13Å; A207-Y209 HydrophobicContact CB-CD1 4.27Å; A207-Y209 HydrophobicContact CB-CE1 3.66Å; A207-Y209 PolarHBondContact O-N 2.8Å; A207-Y209 VanDerWaalsContact O-N 3.16Å; Y209-Y211 VanDerWaalsContact C-N 3.35Å; Y209-Y211 PolarHBondContact O-N 2.74Å; Y209-A212 PolarHBondContact O-N 3.37Å; Y209-F213 WeakPolarHBondContact O-CB 3.34Å; Y209-F213 PolarHBondContact O-N 2.82Å |
| 210 | V | 93.7 | Very high | 90.6 | Very high | 1 Ų | 1 | 71.6 Ų | 71.6 | 1% | 0.006 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.2 | -42.3 | 179.9 | 177.1 | 0 | 0 | 0 | 0 | 110.2 | V142 Y171 I203 A207 P208 A212 F213 C214 | V142-V210 HydrophobicContact CG2-CG1 4.35Å; Y171-V210 HydrophobicContact CE1-CG2 3.78Å; Y171-V210 WeakPolarHBondContact OH-CG2 3.49Å; I203-V210 HydrophobicContact CB-CG1 4.43Å; I203-V210 HydrophobicContact CG2-CB 3.93Å; I203-V210 HydrophobicContact CG2-CG1 3.9Å; I203-V210 HydrophobicContact CG2-CG2 3.92Å; A207-V210 HydrophobicContact CB-CG2 3.78Å; A207-V210 WeakPolarHBondContact O-CB 3.22Å; A207-V210 WeakPolarHBondContact O-CG2 3.39Å; A207-V210 PolarHBondContact O-N 2.88Å; P208-V210 PolarHBondContact O-N 3.36Å; V210-A212 PolarHBondContact O-N 2.9Å; V210-F213 WeakPolarHBondContact O-CB 3.41Å; V210-F213 PolarHBondContact O-N 3.09Å; V210-C214 WeakPolarHBondContact O-CB 3.46Å; V210-C214 PolarHBondContact O-N 2.82Å; V210-C214 PolarHBondContact O-SG 2.8Å |
| 211 | Y | 94.2 | Very high | 90.1 | Very high | 34 Ų | 34 | 71.8 Ų | 71.8 | 13% | 0.133 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.6 | -45.6 | 175.5 | 171.8 | -88.4 | 0 | 0 | 0 | 112.1 | F135 H137 K140 V142 P208 Y209 F213 C214 T215 | F135-Y211 HydrophobicContact CB-CE2 4.24Å; H137-Y211 AromaticContact ND1-CZ 3.89Å; H137-Y211 PolarHBondContact ND1-OH 2.84Å; K140-Y211 VanDerWaalsContact C-CD2 3.49Å; K140-Y211 HydrophobicContact CB-CD1 3.83Å; K140-Y211 HydrophobicContact CB-CD2 4.46Å; K140-Y211 HydrophobicContact CB-CE1 4.19Å; K140-Y211 HydrophobicContact CB-CG 3.99Å; K140-Y211 HydrophobicContact CG-CD1 4.28Å; K140-Y211 HydrophobicContact CG-CE1 4.21Å; K140-Y211 WeakPolarHBondContact O-CB 3.42Å; V142-Y211 HydrophobicContact CG2-CD2 4.3Å; P208-Y211 PolarHBondContact O-N 2.83Å; Y209-Y211 VanDerWaalsContact C-N 3.35Å; Y209-Y211 PolarHBondContact O-N 2.74Å; Y211-F213 VanDerWaalsContact C-N 3.31Å; Y211-F213 PolarHBondContact O-N 2.98Å; Y211-C214 PolarHBondContact O-N 2.79Å; Y211-T215 HydrophobicContact CD2-CG2 4.3Å; Y211-T215 HydrophobicContact CE1-CG2 4.41Å; Y211-T215 HydrophobicContact CE2-CG2 3.99Å; Y211-T215 WeakPolarHBondContact O-CB 3.37Å; Y211-T215 WeakPolarHBondContact O-CG2 3.47Å; Y211-T215 PolarHBondContact O-N 2.79Å; Y211-T215 VanDerWaalsContact O-N 3.08Å; Y211-T215 PolarHBondContact O-OG1 2.85Å |
| 212 | A | 93.1 | Very high | 89.9 | Confident | 57 Ų | 57 | 72 Ų | 72 | 47% | 0.471 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.1 | -38.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y209 V210 I216 | Y209-A212 PolarHBondContact O-N 3.37Å; V210-A212 PolarHBondContact O-N 2.9Å; A212-I216 WeakPolarHBondContact O-CB 3.26Å; A212-I216 PolarHBondContact O-N 3.14Å |
| 213 | F | 93.7 | Very high | 89.7 | Confident | 77 Ų | 77 | 72.1 Ų | 72.1 | 34% | 0.338 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.4 | -55.5 | 174 | 179.2 | -105.3 | 0 | 0 | 0 | 110.9 | Y209 V210 Y211 T215 I216 I219 H222 I224 | Y209-F213 WeakPolarHBondContact O-CB 3.34Å; Y209-F213 PolarHBondContact O-N 2.82Å; V210-F213 WeakPolarHBondContact O-CB 3.41Å; V210-F213 PolarHBondContact O-N 3.09Å; Y211-F213 VanDerWaalsContact C-N 3.31Å; Y211-F213 PolarHBondContact O-N 2.98Å; F213-T215 PolarHBondContact O-N 3.44Å; F213-T215 VanDerWaalsContact O-N 3.15Å; F213-I216 WeakPolarHBondContact O-CG2 3.48Å; F213-I216 PolarHBondContact O-N 3.01Å; F213-I219 HydrophobicContact CE2-CD1 4.18Å; F213-H222 HydrophobicContact CD1-CB 4.23Å; F213-H222 HydrophobicContact CE1-CB 3.86Å; F213-H222 HydrophobicContact CZ-CB 4.48Å; F213-H222 PolarHBondContact O-CD2 2.72Å; F213-H222 PolarHBondContact O-NE2 3Å; F213-I224 HydrophobicContact CD1-CG2 4.31Å; F213-I224 HydrophobicContact CE1-CG2 4.23Å |
| 214 | C | 93.3 | Very high | 89.7 | Confident | 3 Ų | 3 | 72.4 Ų | 72.4 | 2% | 0.02 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64 | -21.7 | -176.2 | -57.8 | 0 | 0 | 0 | 0 | 114.3 | F135 V142 V210 Y211 C253 | F135-C214 HydrophobicContact CE1-CB 3.72Å; F135-C214 HydrophobicContact CZ-CB 4.26Å; V142-C214 HydrophobicContact CG2-CB 4.12Å; V210-C214 WeakPolarHBondContact O-CB 3.46Å; V210-C214 PolarHBondContact O-N 2.82Å; V210-C214 PolarHBondContact O-SG 2.8Å; Y211-C214 PolarHBondContact O-N 2.79Å; C214-C253 VanDerWaalsContact CA-SG 3.6Å; C214-C253 HydrophobicContact CB-CB 3.91Å; C214-C253 WeakPolarHBondContact CB-O 3.48Å; C214-C253 WeakPolarHBondContact CB-SG 3.5Å; C214-C253 WeakPolarHBondContact SG-CB 3.38Å; C214-C253 CovalentContact SG-SG 2.02Å; C214-C253 PolarHBondContact SG-SG 3.43Å |
| 215 | T | 93.1 | Very high | 90 | Very high | 50 Ų | 50 | 74.7 Ų | 74.7 | 31% | 0.307 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -3.2 | -179.6 | 56.7 | 0 | 0 | 0 | 0 | 113.8 | F135 Y211 F213 P217 | F135-T215 HydrophobicContact CD1-CG2 3.77Å; F135-T215 HydrophobicContact CD2-CG2 4.46Å; F135-T215 HydrophobicContact CE1-CG2 3.92Å; F135-T215 HydrophobicContact CG-CG2 4.06Å; F135-T215 HydrophobicContact CZ-CG2 4.3Å; Y211-T215 HydrophobicContact CD2-CG2 4.3Å; Y211-T215 HydrophobicContact CE1-CG2 4.41Å; Y211-T215 HydrophobicContact CE2-CG2 3.99Å; Y211-T215 WeakPolarHBondContact O-CB 3.37Å; Y211-T215 WeakPolarHBondContact O-CG2 3.47Å; Y211-T215 PolarHBondContact O-N 2.79Å; Y211-T215 VanDerWaalsContact O-N 3.08Å; Y211-T215 PolarHBondContact O-OG1 2.85Å; F213-T215 PolarHBondContact O-N 3.44Å; F213-T215 VanDerWaalsContact O-N 3.15Å; T215-P217 WeakPolarHBondContact O-CD 3.21Å |
| 216 | I | 92.2 | Very high | 90.6 | Very high | 62 Ų | 62 | 70.7 Ų | 70.7 | 32% | 0.318 | 36% | 0.362 | S | S | . | . | trans | -70.8 | 120.2 | -174.5 | -160.5 | 173 | 0 | 0 | 0 | 110.9 | A212 F213 R218 I219 H222 | A212-I216 WeakPolarHBondContact O-CB 3.26Å; A212-I216 PolarHBondContact O-N 3.14Å; F213-I216 WeakPolarHBondContact O-CG2 3.48Å; F213-I216 PolarHBondContact O-N 3.01Å; I216-R218 VanDerWaalsContact C-N 3.25Å; I216-R218 HydrophobicContact CG1-CB 4.45Å; I216-R218 PolarHBondContact O-N 3.45Å; I216-I219 HydrophobicContact CG2-CB 3.78Å; I216-I219 HydrophobicContact CG2-CD1 3.71Å; I216-I219 HydrophobicContact CG2-CG1 3.73Å; I216-I219 PolarHBondContact O-N 2.83Å; I216-H222 PolarHBondContact O-NE2 2.89Å | ||
| 217 | P | 87.9 | Confident | 91.1 | Very high | 125 Ų | 125 | 66.9 Ų | 66.9 | 81% | 0.812 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -15.1 | -174.3 | 29.2 | -35.7 | 0 | 0 | 0 | 113.3 | T215 I219 | T215-P217 WeakPolarHBondContact O-CD 3.21Å; P217-I219 VanDerWaalsContact C-N 3.29Å |
| 218 | R | 87.9 | Confident | 91.3 | Very high | 229 Ų | 229 | 66.6 Ų | 66.6 | 86% | 0.864 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -23.1 | 179.6 | -68.2 | -172.4 | 177.5 | -175.6 | -0.2 | 112.8 | I216 | I216-R218 VanDerWaalsContact C-N 3.25Å; I216-R218 HydrophobicContact CG1-CB 4.45Å; I216-R218 PolarHBondContact O-N 3.45Å |
| 219 | I | 84.6 | Confident | 91.7 | Very high | 69 Ų | 69 | 65.9 Ų | 65.9 | 35% | 0.354 | 33% | 0.327 | S | S | . | . | trans | -108.4 | 129.7 | -178.9 | -55.9 | 178.2 | 0 | 0 | 0 | 106.9 | F213 I216 P217 V221 H222 | F213-I219 HydrophobicContact CE2-CD1 4.18Å; I216-I219 HydrophobicContact CG2-CB 3.78Å; I216-I219 HydrophobicContact CG2-CD1 3.71Å; I216-I219 HydrophobicContact CG2-CG1 3.73Å; I216-I219 PolarHBondContact O-N 2.83Å; P217-I219 VanDerWaalsContact C-N 3.29Å; I219-V221 WeakPolarHBondContact CG2-O 3.21Å; I219-H222 PolarHBondContact O-CE1 2.91Å; I219-H222 PolarHBondContact O-NE2 2.91Å; I219-H222 VanDerWaalsContact O-NE2 3.09Å | ||
| 220 | K | 82.4 | Confident | 91.9 | Very high | 197 Ų | 197 | 59.7 Ų | 59.7 | 86% | 0.857 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -87.3 | -17.3 | -179.8 | -69.4 | -173.3 | 177.4 | -177.4 | 0 | 113.9 | ||
| 221 | V | 86.6 | Confident | 92 | Very high | 80 Ų | 80 | 60.9 Ų | 60.9 | 49% | 0.485 | 31% | 0.311 | S | S | . | . | trans | -129.8 | 118.3 | -174.5 | -177.8 | 0 | 0 | 0 | 0 | 108.8 | I219 N223 | I219-V221 WeakPolarHBondContact CG2-O 3.21Å; V221-N223 HydrophobicContact CG1-CB 4.49Å; V221-N223 VanDerWaalsContact CG1-ND2 3.34Å; V221-N223 WeakPolarHBondContact CG1-ND2 3.44Å; V221-N223 WeakPolarHBondContact CG1-OD1 3.49Å | ||
| 222 | H | 91 | Very high | 92.1 | Very high | 13 Ų | 13 | 59.2 Ų | 59.2 | 6% | 0.06 | 30% | 0.304 | C | S | . | . | trans | -114.9 | 63.9 | -175.6 | -51.8 | 94.6 | 0 | 0 | 0 | 110.2 | F213 I216 I219 I224 D252 C253 G254 | F213-H222 HydrophobicContact CD1-CB 4.23Å; F213-H222 HydrophobicContact CE1-CB 3.86Å; F213-H222 HydrophobicContact CZ-CB 4.48Å; F213-H222 PolarHBondContact O-CD2 2.72Å; F213-H222 PolarHBondContact O-NE2 3Å; I216-H222 PolarHBondContact O-NE2 2.89Å; I219-H222 PolarHBondContact O-CE1 2.91Å; I219-H222 PolarHBondContact O-NE2 2.91Å; I219-H222 VanDerWaalsContact O-NE2 3.09Å; H222-I224 PolarHBondContact O-N 2.86Å; H222-D252 WeakPolarHBondContact CA-OD1 3.48Å; H222-D252 PolarHBondContact N-OD1 3.33Å; H222-C253 VanDerWaalsContact CB-SG 3.55Å; H222-C253 PolarHBondContact O-N 3.27Å; H222-C253 PolarHBondContact O-SG 3.29Å; H222-G254 WeakPolarHBondContact ND1-CA 3.04Å | ||
| 223 | N | 91.9 | Very high | 92.2 | Very high | 86 Ų | 86 | 60 Ų | 60 | 46% | 0.46 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 121.8 | -178.3 | -70.2 | -21.1 | 0 | 0 | 0 | 111.5 | V221 I251 | V221-N223 HydrophobicContact CG1-CB 4.49Å; V221-N223 VanDerWaalsContact CG1-ND2 3.34Å; V221-N223 WeakPolarHBondContact CG1-ND2 3.44Å; V221-N223 WeakPolarHBondContact CG1-OD1 3.49Å; N223-I251 CarbonylContact C-O 3.57Å; N223-I251 WeakPolarHBondContact CA-O 3.01Å |
| 224 | I | 93.5 | Very high | 92.3 | Very high | 8 Ų | 8 | 56.4 Ų | 56.4 | 4% | 0.041 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 153.1 | 168.3 | 63.6 | 170.4 | 0 | 0 | 0 | 109.6 | M144 Y171 I203 F213 H222 V226 Y250 I251 C253 | M144-I224 HydrophobicContact CE-CD1 3.88Å; M144-I224 HydrophobicContact SD-CD1 4.26Å; Y171-I224 HydrophobicContact CE2-CB 4.29Å; I203-I224 HydrophobicContact CD1-CD1 3.83Å; F213-I224 HydrophobicContact CD1-CG2 4.31Å; F213-I224 HydrophobicContact CE1-CG2 4.23Å; H222-I224 PolarHBondContact O-N 2.86Å; I224-V226 HydrophobicContact CD1-CG1 4.4Å; I224-Y250 WeakPolarHBondContact O-CA 3.41Å; I224-I251 HydrophobicContact CG1-CB 4.2Å; I224-I251 WeakPolarHBondContact CG1-O 3.47Å; I224-I251 PolarHBondContact N-O 3.15Å; I224-I251 PolarHBondContact O-N 3.42Å; I224-C253 HydrophobicContact CD1-CB 4.1Å; I224-C253 HydrophobicContact CG1-CB 4.3Å |
| 225 | V | 93.9 | Very high | 92.3 | Very high | 56 Ų | 56 | 57.1 Ų | 57.1 | 34% | 0.339 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 127.7 | 173.7 | -177.8 | 0 | 0 | 0 | 0 | 108.9 | Y171 Y248 H249 Y250 | Y171-V225 WeakPolarHBondContact CD2-O 3.3Å; V225-Y248 HydrophobicContact CG1-CD1 3.9Å; V225-H249 WeakPolarHBondContact CA-O 3.48Å; V225-Y250 HydrophobicContact CG2-CD1 3.5Å; V225-Y250 HydrophobicContact CG2-CE1 3.28Å; V225-Y250 HydrophobicContact CG2-CG 4.3Å |
| 226 | V | 95.1 | Very high | 92.1 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 147.5 | 168.8 | -59.5 | 0 | 0 | 0 | 0 | 109.6 | V169 L170 I224 Y248 H249 I251 | V169-V226 HydrophobicContact CG1-CB 3.83Å; V169-V226 HydrophobicContact CG1-CG1 4.21Å; V169-V226 HydrophobicContact CG1-CG2 4.11Å; L170-V226 WeakPolarHBondContact O-CA 3.36Å; I224-V226 HydrophobicContact CD1-CG1 4.4Å; V226-Y248 WeakPolarHBondContact O-CA 3.34Å; V226-H249 HydrophobicContact CG2-CB 4.19Å; V226-H249 PolarHBondContact N-O 2.82Å; V226-H249 PolarHBondContact O-N 3.26Å; V226-I251 HydrophobicContact CB-CD1 4.46Å; V226-I251 HydrophobicContact CG1-CD1 4.2Å; V226-I251 HydrophobicContact CG2-CD1 3.41Å; V226-I251 VanDerWaalsContact CG2-CD1 3.41Å; V226-I251 HydrophobicContact CG2-CG1 4.17Å |
| 227 | F | 95.8 | Very high | 91.7 | Very high | 38 Ų | 38 | 59.8 Ų | 59.8 | 17% | 0.167 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 122.5 | 172.4 | 178.8 | -107.9 | 0 | 0 | 0 | 108.3 | L170 Q229 E246 Y248 | L170-F227 HydrophobicContact CB-CB 4.28Å; L170-F227 HydrophobicContact CB-CD1 4.34Å; L170-F227 HydrophobicContact CD1-CD1 4.13Å; L170-F227 PolarHBondContact N-O 3.28Å; L170-F227 PolarHBondContact O-N 2.84Å; F227-Q229 HydrophobicContact CE1-CB 4.12Å; F227-E246 HydrophobicContact CE1-CG 4.46Å; F227-E246 HydrophobicContact CE2-CB 3.94Å; F227-E246 HydrophobicContact CZ-CB 3.68Å; F227-E246 HydrophobicContact CZ-CG 3.78Å; F227-Y248 HydrophobicContact CB-CD1 4.05Å; F227-Y248 HydrophobicContact CB-CE1 3.89Å; F227-Y248 AromaticContact CD2-CD1 3.8Å; F227-Y248 HydrophobicContact CD2-CD1 3.8Å; F227-Y248 HydrophobicContact CD2-CD2 4.13Å; F227-Y248 AromaticContact CD2-CE1 3.47Å; F227-Y248 HydrophobicContact CD2-CE1 3.47Å; F227-Y248 VanDerWaalsContact CD2-CE1 3.47Å; F227-Y248 AromaticContact CD2-CE2 3.83Å; F227-Y248 HydrophobicContact CD2-CE2 3.83Å; F227-Y248 HydrophobicContact CD2-CG 4.12Å; F227-Y248 AromaticContact CD2-CZ 3.49Å; F227-Y248 VanDerWaalsContact CD2-CZ 3.49Å; F227-Y248 HydrophobicContact CE2-CD2 4.49Å; F227-Y248 HydrophobicContact CE2-CE1 4.35Å; F227-Y248 AromaticContact CE2-CE2 3.99Å; F227-Y248 HydrophobicContact CE2-CE2 3.99Å; F227-Y248 AromaticContact CE2-CZ 3.91Å; F227-Y248 HydrophobicContact CG-CD1 4.41Å; F227-Y248 HydrophobicContact CG-CE1 4.04Å |
| 228 | M | 95.2 | Very high | 91.4 | Very high | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.015 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 121.3 | 179.9 | -164.8 | 170.7 | 77.9 | 0 | 0 | 109.2 | D125 M146 C167 V169 Y197 E246 D247 | D125-M228 WeakPolarHBondContact OD2-CE 3.34Å; M146-M228 HydrophobicContact CE-SD 3.53Å; M146-M228 VanDerWaalsContact CE-SD 3.53Å; C167-M228 WeakPolarHBondContact SG-CG 3.48Å; V169-M228 HydrophobicContact CG2-CG 4.31Å; Y197-M228 VanDerWaalsContact OH-CE 3.29Å; Y197-M228 WeakPolarHBondContact OH-CE 3.35Å; M228-E246 WeakPolarHBondContact O-CA 3.2Å; M228-D247 PolarHBondContact N-O 3.29Å; M228-D247 PolarHBondContact O-N 2.9Å; M228-D247 VanDerWaalsContact O-N 3.12Å |
| 229 | Q | 96.3 | Very high | 91.3 | Very high | 64 Ų | 64 | 57.9 Ų | 57.9 | 30% | 0.299 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 109.9 | 175.2 | -176.1 | 177.8 | 57.4 | 0 | 0 | 108.7 | C167 Q168 L170 F227 E246 | C167-Q229 CarbonylContact C-O 3.55Å; C167-Q229 WeakPolarHBondContact CA-O 3.49Å; Q168-Q229 PolarHBondContact N-O 3.43Å; Q168-Q229 PolarHBondContact O-N 2.85Å; L170-Q229 HydrophobicContact CD1-CB 4.39Å; F227-Q229 HydrophobicContact CE1-CB 4.12Å; Q229-E246 HydrophobicContact CB-CG 4.43Å; Q229-E246 HydrophobicContact CG-CG 4.03Å; Q229-E246 PolarHBondContact NE2-OE1 3.49Å |
| 230 | T | 95.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 120 | -177 | -59.8 | 0 | 0 | 0 | 0 | 110.1 | L150 V165 S166 C167 V232 S244 L245 | L150-T230 HydrophobicContact CD1-CG2 3.95Å; L150-T230 HydrophobicContact CD2-CG2 4.3Å; V165-T230 HydrophobicContact CG1-CG2 4.14Å; S166-T230 CarbonylContact O-C 3.49Å; S166-T230 WeakPolarHBondContact O-CA 3.24Å; C167-T230 PolarHBondContact SG-OG1 2.82Å; C167-T230 VanDerWaalsContact SG-OG1 3.34Å; T230-V232 HydrophobicContact CG2-CG2 4.43Å; T230-S244 CarbonylContact O-C 3.55Å; T230-S244 WeakPolarHBondContact O-CA 3.43Å; T230-L245 PolarHBondContact N-O 3.07Å; T230-L245 PolarHBondContact O-N 3.32Å |
| 231 | S | 95.8 | Very high | 92 | Very high | 25 Ų | 25 | 50.2 Ų | 50.2 | 18% | 0.175 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 124.5 | 175.5 | 171.9 | 0 | 0 | 0 | 0 | 110.2 | S166 Q242 N243 | S166-S231 PolarHBondContact N-O 3.31Å; S166-S231 PolarHBondContact O-N 3.15Å; S231-Q242 PolarHBondContact OG-NE2 2.86Å; S231-N243 WeakPolarHBondContact CA-O 3.22Å |
| 232 | V | 96.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 123.5 | 175.7 | -179.1 | 0 | 0 | 0 | 0 | 109.2 | V123 L150 F152 V162 V165 T230 T234 Q242 N243 | V123-V232 HydrophobicContact CG1-CG2 4.01Å; L150-V232 HydrophobicContact CD1-CG2 4.28Å; F152-V232 HydrophobicContact CE1-CB 4.44Å; F152-V232 HydrophobicContact CE1-CG1 3.63Å; F152-V232 HydrophobicContact CE1-CG2 4.08Å; F152-V232 HydrophobicContact CZ-CG1 4.33Å; F152-V232 HydrophobicContact CZ-CG2 4.41Å; V162-V232 HydrophobicContact CG1-CG1 3.94Å; V165-V232 HydrophobicContact CG2-CG1 4.3Å; V165-V232 HydrophobicContact CG2-CG2 4.22Å; T230-V232 HydrophobicContact CG2-CG2 4.43Å; V232-T234 HydrophobicContact CG1-CG2 3.99Å; V232-Q242 WeakPolarHBondContact O-CA 3.43Å; V232-N243 PolarHBondContact N-O 3.36Å; V232-N243 PolarHBondContact O-N 2.79Å |
| 233 | K | 95.5 | Very high | 92.3 | Very high | 74 Ų | 74 | 54.4 Ų | 54.4 | 32% | 0.322 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 123 | 170 | -167 | 177.1 | -178.8 | -178.2 | 0 | 109.6 | Q163 S164 | Q163-K233 HydrophobicContact CB-CB 4.49Å; Q163-K233 HydrophobicContact CB-CG 4.42Å; Q163-K233 PolarHBondContact N-O 2.02Å; S164-K233 PolarHBondContact N-O 3.08Å; S164-K233 PolarHBondContact O-N 3.18Å; S164-K233 WeakPolarHBondContact OG-CB 3.34Å |
| 234 | T | 94.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.006 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 149.4 | 175.5 | 58.5 | 0 | 0 | 0 | 0 | 109.5 | V160 L161 V162 V232 T240 S241 | V160-T234 HydrophobicContact CG1-CG2 4.37Å; L161-T234 CarbonylContact O-C 3.49Å; L161-T234 WeakPolarHBondContact O-CA 3.43Å; V162-T234 HydrophobicContact CG2-CG2 4.48Å; V232-T234 HydrophobicContact CG1-CG2 3.99Å; T234-T240 CarbonylContact O-C 3.52Å; T234-T240 WeakPolarHBondContact O-CA 3.38Å; T234-S241 PolarHBondContact N-O 2.83Å; T234-S241 PolarHBondContact O-N 2.91Å; T234-S241 PolarHBondContact OG1-O 2.76Å |
| 235 | S | 93.1 | Very high | 92.4 | Very high | 17 Ų | 17 | 56.1 Ų | 56.1 | 12% | 0.119 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 139.1 | 172.4 | 62.7 | 0 | 0 | 0 | 0 | 111.1 | L161 Q163 R239 | L161-S235 PolarHBondContact N-O 2.8Å; L161-S235 PolarHBondContact O-N 2.85Å; Q163-S235 VanDerWaalsContact CD-CB 3.42Å; Q163-S235 WeakPolarHBondContact CG-OG 3.36Å; Q163-S235 PolarHBondContact NE2-OG 2.87Å; Q163-S235 VanDerWaalsContact NE2-OG 3.14Å; S235-R239 WeakPolarHBondContact CA-O 3.46Å |
| 236 | Y | 89.4 | Confident | 92.5 | Very high | 21 Ų | 21 | 58.8 Ų | 58.8 | 8% | 0.082 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 133.9 | 175.5 | 50.1 | -90.2 | 0 | 0 | 0 | 108.6 | P118 F158 V160 V238 R239 | P118-Y236 HydrophobicContact CB-CD2 4.13Å; P118-Y236 HydrophobicContact CB-CE2 3.38Å; P118-Y236 HydrophobicContact CG-CE2 4.01Å; F158-Y236 AromaticContact CE2-CD2 3.95Å; F158-Y236 HydrophobicContact CE2-CD2 3.95Å; F158-Y236 AromaticContact CE2-CG 3.9Å; F158-Y236 HydrophobicContact CE2-CG 3.9Å; F158-Y236 HydrophobicContact CZ-CD2 4.17Å; V160-Y236 HydrophobicContact CG1-CD1 4.25Å; Y236-V238 PolarHBondContact O-N 2.89Å; Y236-R239 HydrophobicContact CD2-CB 4.42Å; Y236-R239 HydrophobicContact CE2-CB 3.9Å; Y236-R239 HydrophobicContact CE2-CG 4.43Å; Y236-R239 PolarHBondContact N-O 3Å; Y236-R239 PolarHBondContact O-N 3.28Å; Y236-R239 VanDerWaalsContact O-O 3.1Å |
| 237 | M | 83.1 | Confident | 92.4 | Very high | 148 Ų | 148 | 62.6 Ų | 62.6 | 73% | 0.729 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | -107.2 | -174.4 | -52.2 | 178.9 | 82.5 | 0 | 0 | 111.3 | ||
| 238 | V | 81.7 | Confident | 92.3 | Very high | 151 Ų | 151 | 68 Ų | 68 | 92% | 0.915 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.5 | -4.9 | -179.5 | -173.8 | 0 | 0 | 0 | 0 | 112.1 | Y236 | Y236-V238 PolarHBondContact O-N 2.89Š|
| 239 | R | 85.6 | Confident | 92.2 | Very high | 162 Ų | 162 | 68.8 Ų | 68.8 | 61% | 0.611 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 143.7 | -175.9 | -165.6 | 170.8 | -180 | -171.9 | -0.4 | 110.7 | S235 Y236 | S235-R239 WeakPolarHBondContact CA-O 3.46Å; Y236-R239 HydrophobicContact CD2-CB 4.42Å; Y236-R239 HydrophobicContact CE2-CB 3.9Å; Y236-R239 HydrophobicContact CE2-CG 4.43Å; Y236-R239 PolarHBondContact N-O 3Å; Y236-R239 PolarHBondContact O-N 3.28Å; Y236-R239 VanDerWaalsContact O-O 3.1Å |
| 240 | T | 91.1 | Very high | 92 | Very high | 72 Ų | 72 | 74.2 Ų | 74.2 | 44% | 0.442 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 143.9 | 167.7 | 58.5 | 0 | 0 | 0 | 0 | 109.2 | T234 | T234-T240 CarbonylContact O-C 3.52Å; T234-T240 WeakPolarHBondContact O-CA 3.38Å |
| 241 | S | 90.4 | Very high | 91.9 | Very high | 33 Ų | 33 | 74.6 Ų | 74.6 | 23% | 0.231 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 140.4 | 175.8 | -173.2 | 0 | 0 | 0 | 0 | 108.8 | T234 | T234-S241 PolarHBondContact N-O 2.83Å; T234-S241 PolarHBondContact O-N 2.91Å; T234-S241 PolarHBondContact OG1-O 2.76Å |
| 242 | Q | 93 | Very high | 91.7 | Very high | 133 Ų | 133 | 74.6 Ų | 74.6 | 62% | 0.621 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 130.7 | -179.8 | -175.2 | 175.4 | -6.4 | 0 | 0 | 109.5 | S231 V232 | S231-Q242 PolarHBondContact OG-NE2 2.86Å; V232-Q242 WeakPolarHBondContact O-CA 3.43Å |
| 243 | N | 91.9 | Very high | 91.6 | Very high | 48 Ų | 48 | 74.6 Ų | 74.6 | 26% | 0.257 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 132.5 | 175.6 | -69 | -26.6 | 0 | 0 | 0 | 108.7 | V121 V123 S231 V232 | V121-N243 PolarHBondContact O-ND2 2.93Å; V121-N243 VanDerWaalsContact O-ND2 3.14Å; V123-N243 HydrophobicContact CG2-CB 4.47Å; S231-N243 WeakPolarHBondContact CA-O 3.22Å; V232-N243 PolarHBondContact N-O 3.36Å; V232-N243 PolarHBondContact O-N 2.79Å |
| 244 | S | 93.6 | Very high | 91.4 | Very high | 85 Ų | 85 | 72.3 Ų | 72.3 | 59% | 0.594 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 136.1 | 174.5 | 52 | 0 | 0 | 0 | 0 | 110.6 | T230 | T230-S244 CarbonylContact O-C 3.55Å; T230-S244 WeakPolarHBondContact O-CA 3.43Å |
| 245 | L | 94.1 | Very high | 91.1 | Very high | 46 Ų | 46 | 74.8 Ų | 74.8 | 24% | 0.241 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 136.2 | 175.7 | -67.1 | 162.9 | 0 | 0 | 0 | 108 | V123 L150 T230 | V123-L245 HydrophobicContact CB-CD1 4.11Å; V123-L245 HydrophobicContact CG1-CD1 3.58Å; L150-L245 HydrophobicContact CD2-CD1 3.92Å; T230-L245 PolarHBondContact N-O 3.07Å; T230-L245 PolarHBondContact O-N 3.32Å |
| 246 | E | 94.9 | Very high | 90.9 | Very high | 111 Ų | 111 | 79 Ų | 79 | 52% | 0.519 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 122.9 | -177.8 | -70.9 | -177.6 | 177.9 | 0 | 0 | 108.6 | F227 M228 Q229 | F227-E246 HydrophobicContact CE1-CG 4.46Å; F227-E246 HydrophobicContact CE2-CB 3.94Å; F227-E246 HydrophobicContact CZ-CB 3.68Å; F227-E246 HydrophobicContact CZ-CG 3.78Å; M228-E246 WeakPolarHBondContact O-CA 3.2Å; Q229-E246 HydrophobicContact CB-CG 4.43Å; Q229-E246 HydrophobicContact CG-CG 4.03Å; Q229-E246 PolarHBondContact NE2-OE1 3.49Å |
| 247 | D | 93.3 | Very high | 90.8 | Very high | 81 Ų | 81 | 79.3 Ų | 79.3 | 43% | 0.433 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 156.7 | 178.1 | -160.3 | 13.2 | 0 | 0 | 0 | 112.1 | M228 H249 | M228-D247 PolarHBondContact N-O 3.29Å; M228-D247 PolarHBondContact O-N 2.9Å; M228-D247 VanDerWaalsContact O-N 3.12Å; D247-H249 IonicContact OD2-CE1 3.89Å; D247-H249 PolarHBondContact OD2-CE1 3.16Å; D247-H249 IonicContact OD2-ND1 3.82Å |
| 248 | Y | 93.8 | Very high | 90.8 | Very high | 152 Ų | 152 | 77.8 Ų | 77.8 | 60% | 0.596 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 131.1 | 175.2 | -68.1 | -86.3 | 0 | 0 | 0 | 110.1 | V225 V226 F227 | V225-Y248 HydrophobicContact CG1-CD1 3.9Å; V226-Y248 WeakPolarHBondContact O-CA 3.34Å; F227-Y248 HydrophobicContact CB-CD1 4.05Å; F227-Y248 HydrophobicContact CB-CE1 3.89Å; F227-Y248 AromaticContact CD2-CD1 3.8Å; F227-Y248 HydrophobicContact CD2-CD1 3.8Å; F227-Y248 HydrophobicContact CD2-CD2 4.13Å; F227-Y248 AromaticContact CD2-CE1 3.47Å; F227-Y248 HydrophobicContact CD2-CE1 3.47Å; F227-Y248 VanDerWaalsContact CD2-CE1 3.47Å; F227-Y248 AromaticContact CD2-CE2 3.83Å; F227-Y248 HydrophobicContact CD2-CE2 3.83Å; F227-Y248 HydrophobicContact CD2-CG 4.12Å; F227-Y248 AromaticContact CD2-CZ 3.49Å; F227-Y248 VanDerWaalsContact CD2-CZ 3.49Å; F227-Y248 HydrophobicContact CE2-CD2 4.49Å; F227-Y248 HydrophobicContact CE2-CE1 4.35Å; F227-Y248 AromaticContact CE2-CE2 3.99Å; F227-Y248 HydrophobicContact CE2-CE2 3.99Å; F227-Y248 AromaticContact CE2-CZ 3.91Å; F227-Y248 HydrophobicContact CG-CD1 4.41Å; F227-Y248 HydrophobicContact CG-CE1 4.04Å |
| 249 | H | 92.8 | Very high | 90.5 | Very high | 20 Ų | 20 | 75.9 Ų | 75.9 | 9% | 0.093 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 135.7 | 177.8 | -60.9 | -50.4 | 0 | 0 | 0 | 111.9 | D125 I128 V225 V226 D247 | D125-H249 IonicContact OD2-NE2 3.32Å; I128-H249 HydrophobicContact CD1-CB 3.53Å; I128-H249 HydrophobicContact CG1-CB 4.49Å; V225-H249 WeakPolarHBondContact CA-O 3.48Å; V226-H249 HydrophobicContact CG2-CB 4.19Å; V226-H249 PolarHBondContact N-O 2.82Å; V226-H249 PolarHBondContact O-N 3.26Å; D247-H249 IonicContact OD2-CE1 3.89Å; D247-H249 PolarHBondContact OD2-CE1 3.16Å; D247-H249 IonicContact OD2-ND1 3.82Å |
| 250 | Y | 92.4 | Very high | 89 | Confident | 178 Ų | 178 | 73.5 Ų | 73.5 | 70% | 0.698 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 125.2 | 169.9 | -66.5 | -91.8 | 0 | 0 | 0 | 108.8 | I224 V225 | I224-Y250 WeakPolarHBondContact O-CA 3.41Å; V225-Y250 HydrophobicContact CG2-CD1 3.5Å; V225-Y250 HydrophobicContact CG2-CE1 3.28Å; V225-Y250 HydrophobicContact CG2-CG 4.3Å |
| 251 | I | 92.9 | Very high | 86.8 | Confident | 8 Ų | 8 | 73 Ų | 73 | 4% | 0.041 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 127.9 | -178.7 | -62.3 | 178.5 | 0 | 0 | 0 | 108.2 | I128 V131 M144 M146 N223 I224 V226 C253 | I128-I251 HydrophobicContact CD1-CD1 4.32Å; I128-I251 HydrophobicContact CD1-CG1 4.13Å; V131-I251 HydrophobicContact CB-CG2 4.3Å; V131-I251 HydrophobicContact CG1-CG2 3.82Å; V131-I251 HydrophobicContact CG2-CG2 4.1Å; M144-I251 HydrophobicContact SD-CG2 4.21Å; M146-I251 HydrophobicContact SD-CD1 3.76Å; N223-I251 CarbonylContact C-O 3.57Å; N223-I251 WeakPolarHBondContact CA-O 3.01Å; I224-I251 HydrophobicContact CG1-CB 4.2Å; I224-I251 WeakPolarHBondContact CG1-O 3.47Å; I224-I251 PolarHBondContact N-O 3.15Å; I224-I251 PolarHBondContact O-N 3.42Å; V226-I251 HydrophobicContact CB-CD1 4.46Å; V226-I251 HydrophobicContact CG1-CD1 4.2Å; V226-I251 HydrophobicContact CG2-CD1 3.41Å; V226-I251 VanDerWaalsContact CG2-CD1 3.41Å; V226-I251 HydrophobicContact CG2-CG1 4.17Å; I251-C253 PolarHBondContact O-N 3.45Å |
| 252 | D | 92.8 | Very high | 84.5 | Confident | 26 Ų | 26 | 78.7 Ų | 78.7 | 14% | 0.139 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 111.8 | 166.5 | -177.4 | 15.8 | 0 | 0 | 0 | 109.2 | H222 G254 S255 T257 | H222-D252 WeakPolarHBondContact CA-OD1 3.48Å; H222-D252 PolarHBondContact N-OD1 3.33Å; D252-G254 VanDerWaalsContact C-N 3.33Å; D252-G254 PolarHBondContact OD1-N 3.2Å; D252-S255 PolarHBondContact OD2-OG 3.28Å; D252-T257 HydrophobicContact CB-CG2 4.16Å |
| 253 | C | 93.2 | Very high | 81.7 | Confident | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -88.7 | 0.8 | 178.2 | 68 | 0 | 0 | 0 | 0 | 113.2 | V133 F135 V142 M144 C214 H222 I224 I251 | V133-C253 WeakPolarHBondContact CG1-O 3.25Å; F135-C253 WeakPolarHBondContact CE1-O 3.34Å; F135-C253 WeakPolarHBondContact CZ-O 3.19Å; V142-C253 HydrophobicContact CG1-CB 4.48Å; M144-C253 HydrophobicContact SD-CB 4.15Å; C214-C253 VanDerWaalsContact CA-SG 3.6Å; C214-C253 HydrophobicContact CB-CB 3.91Å; C214-C253 WeakPolarHBondContact CB-O 3.48Å; C214-C253 WeakPolarHBondContact CB-SG 3.5Å; C214-C253 WeakPolarHBondContact SG-CB 3.38Å; C214-C253 CovalentContact SG-SG 2.02Å; C214-C253 PolarHBondContact SG-SG 3.43Å; H222-C253 VanDerWaalsContact CB-SG 3.55Å; H222-C253 PolarHBondContact O-N 3.27Å; H222-C253 PolarHBondContact O-SG 3.29Å; I224-C253 HydrophobicContact CD1-CB 4.1Å; I224-C253 HydrophobicContact CG1-CB 4.3Å; I251-C253 PolarHBondContact O-N 3.45Å |
| 254 | G | 91.3 | Very high | 79 | Confident | 25 Ų | 25 | 81.3 Ų | 81.3 | 26% | 0.258 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -90.1 | -22.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113.7 | H222 D252 | H222-G254 WeakPolarHBondContact ND1-CA 3.04Å; D252-G254 VanDerWaalsContact C-N 3.33Å; D252-G254 PolarHBondContact OD1-N 3.2Å |
| 255 | S | 87.9 | Confident | 76.1 | Confident | 54 Ų | 54 | 81.2 Ų | 81.2 | 38% | 0.378 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -145.2 | 157.6 | -171.6 | 76.5 | 0 | 0 | 0 | 0 | 112.6 | V133 D252 | V133-S255 WeakPolarHBondContact CG2-O 3.21Å; D252-S255 PolarHBondContact OD2-OG 3.28Å |
| 256 | N | 90.4 | Very high | 73.2 | Confident | 105 Ų | 105 | 84.9 Ų | 84.9 | 56% | 0.561 | 48% | 0.477 | S | S | * | . | trans | -72.5 | 130.1 | 172.5 | -68.6 | -23.6 | 0 | 0 | 0 | 109.5 | V131 V133 | V131-N256 WeakPolarHBondContact O-CA 3.4Å; V133-N256 PolarHBondContact N-OD1 2.7Å; V133-N256 PolarHBondContact O-OD1 3.08Å | ||
| 257 | T | 87 | Confident | 70.3 | Confident | 28 Ų | 28 | 85.2 Ų | 85.2 | 17% | 0.172 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 132.3 | 177.7 | 57.1 | 0 | 0 | 0 | 0 | 110.3 | S130 V131 D252 | S130-T257 CarbonylContact C-O 3.51Å; S130-T257 VanDerWaalsContact CA-O 3.22Å; S130-T257 WeakPolarHBondContact CA-O 3.31Å; V131-T257 WeakPolarHBondContact CB-OG1 3.49Å; V131-T257 PolarHBondContact N-O 2.91Å; V131-T257 PolarHBondContact O-N 2.83Å; D252-T257 HydrophobicContact CB-CG2 4.16Å |
| 258 | T | 83.4 | Confident | 67.5 | Low | 116 Ų | 116 | 86.5 Ų | 86.5 | 71% | 0.712 | 50% | 0.498 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 111.6 | 170.8 | 40.9 | 0 | 0 | 0 | 0 | 107.8 | ||
| 259 | H | 74.2 | Confident | 64.8 | Low | 111 Ų | 111 | 84.8 Ų | 84.8 | 51% | 0.514 | 51% | 0.505 | S | S | . | . | trans | -87.6 | 120.6 | 172.1 | -65 | -66.3 | 0 | 0 | 0 | 108.3 | R129 A261 | R129-H259 PolarHBondContact O-N 2.99Å; R129-H259 VanDerWaalsContact O-O 3.1Å; H259-A261 PolarHBondContact O-N 2.85Å | ||
| 260 | P | 53.8 | Low | 62.1 | Low | 111 Ų | 111 | 89.6 Ų | 89.6 | 72% | 0.721 | 54% | 0.538 | S | S | * | . | trans | -57.3 | 139.8 | 162.8 | 24 | -29.2 | 0 | 0 | 0 | 107.8 | L262 | P260-L262 PolarHBondContact O-N 2.74Š| ||
| 261 | A | 45.7 | Very low | 59.6 | Low | 63 Ų | 63 | 87.3 Ų | 87.3 | 52% | 0.521 | 55% | 0.548 | S | S | . | . | trans | -51.5 | 111.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | H259 T263 | H259-A261 PolarHBondContact O-N 2.85Å; A261-T263 PolarHBondContact O-N 2.81Å | ||
| 262 | L | 41.3 | Very low | 56.9 | Low | 151 Ų | 151 | 90.2 Ų | 90.2 | 79% | 0.791 | 58% | 0.581 | S | S | * | * | trans | -65.3 | 106.8 | 177.9 | -159.9 | 78.5 | 0 | 0 | 0 | 105.9 | P260 S264 | P260-L262 PolarHBondContact O-N 2.74Å; L262-S264 PolarHBondContact O-N 2.81Å | ||
| 263 | T | 34.6 | Very low | 54.3 | Low | 131 Ų | 131 | 100.3 Ų | 100.3 | 80% | 0.804 | 62% | 0.617 | S | S | * | * | trans | -52.9 | 116.1 | 162.2 | 25.2 | 0 | 0 | 0 | 0 | 106.2 | A261 S265 | A261-T263 PolarHBondContact O-N 2.81Å; T263-S265 PolarHBondContact O-N 2.84Å | ||
| 264 | S | 35.1 | Very low | 51.6 | Low | 105 Ų | 105 | 110.1 Ų | 110.1 | 73% | 0.734 | 66% | 0.66 | S | S | * | * | trans | -44.2 | 102.9 | -177.1 | 53.4 | 0 | 0 | 0 | 0 | 111.2 | L262 T266 | L262-S264 PolarHBondContact O-N 2.81Å; S264-T266 PolarHBondContact O-N 2.93Å | ||
| 265 | S | 33 | Very low | 49.1 | Very low | 84 Ų | 84 | 118 Ų | 118 | 59% | 0.587 | 69% | 0.689 | S | S | * | * | trans | -71.3 | 100.7 | 162.4 | 54.2 | 0 | 0 | 0 | 0 | 106.5 | T263 T267 | T263-S265 PolarHBondContact O-N 2.84Å; S265-T267 VanDerWaalsContact C-N 3.28Å; S265-T267 PolarHBondContact O-N 3.05Å; S265-T267 PolarHBondContact O-OG1 2.68Å | ||
| 266 | T | 34.3 | Very low | 46.8 | Very low | 122 Ų | 122 | 123.3 Ų | 123.3 | 75% | 0.748 | 71% | 0.708 | S | S | * | * | trans | -51.4 | 95.6 | 164.1 | -55.1 | 0 | 0 | 0 | 0 | 108.2 | S264 T268 | S264-T266 PolarHBondContact O-N 2.93Å; T266-T268 PolarHBondContact O-N 2.78Å | ||
| 267 | T | 33 | Very low | 44.1 | Very low | 119 Ų | 119 | 125.7 Ų | 125.7 | 73% | 0.73 | 72% | 0.721 | S | S | * | * | trans | -84.5 | 95.5 | 167.5 | -53.7 | 0 | 0 | 0 | 0 | 105.6 | S265 | S265-T267 VanDerWaalsContact C-N 3.28Å; S265-T267 PolarHBondContact O-N 3.05Å; S265-T267 PolarHBondContact O-OG1 2.68Å | ||
| 268 | T | 34.8 | Very low | 42.1 | Very low | 108 Ų | 108 | 135.2 Ų | 135.2 | 66% | 0.663 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 129.2 | 162.9 | 31.3 | 0 | 0 | 0 | 0 | 108.6 | T266 | T266-T268 PolarHBondContact O-N 2.78Š|
| 269 | P | 37.1 | Very low | 40.1 | Very low | 115 Ų | 115 | 138.7 Ų | 138.7 | 75% | 0.747 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 138.2 | 173.8 | 26.7 | -31.1 | 0 | 0 | 0 | 109 | S271 | P269-S271 PolarHBondContact O-N 3.35Š|
| 270 | P | 35.8 | Very low | 38.9 | Very low | 121 Ų | 121 | 147.1 Ų | 147.1 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 134.5 | 173.2 | 26.4 | -30.8 | 0 | 0 | 0 | 109.6 | G272 | P270-G272 PolarHBondContact O-N 3.36Š|
| 271 | S | 40.3 | Very low | 38.2 | Very low | 130 Ų | 130 | 148.9 Ų | 148.9 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | trans | -50.6 | 98.5 | 170 | 176.9 | 0 | 0 | 0 | 0 | 110.6 | P269 | P269-S271 PolarHBondContact O-N 3.35Š| ||
| 272 | G | 35.6 | Very low | 37.8 | Very low | 70 Ų | 70 | 153.4 Ų | 153.4 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | trans | -88 | 108 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | P270 K274 | P270-G272 PolarHBondContact O-N 3.36Å; G272-K274 PolarHBondContact O-N 2.9Å | ||
| 273 | R | 37.8 | Very low | 37.6 | Very low | 238 Ų | 238 | 153.6 Ų | 153.6 | 90% | 0.898 | 82% | 0.815 | S | S | * | * | trans | -39.7 | 124.1 | 173.4 | -169.4 | 179 | -88.5 | 176.5 | -9.2 | 112.4 | Q275 | R273-Q275 PolarHBondContact O-N 3.15Š| ||
| 274 | K | 36.5 | Very low | 37.8 | Very low | 206 Ų | 206 | 154.9 Ų | 154.9 | 90% | 0.896 | 82% | 0.815 | S | S | * | * | trans | -50.3 | 111.9 | 169.9 | -75.3 | -178.5 | 177.2 | -178.7 | 0 | 109.9 | G272 | G272-K274 PolarHBondContact O-N 2.9Š| ||
| 275 | Q | 39.4 | Very low | 38 | Very low | 189 Ų | 189 | 158 Ų | 158 | 88% | 0.883 | 82% | 0.82 | S | S | * | * | trans | -85.5 | 112.1 | 164.7 | -154.8 | 154.4 | 3.5 | 0 | 0 | 107.3 | R273 N277 | R273-Q275 PolarHBondContact O-N 3.15Å; Q275-N277 PolarHBondContact O-N 2.75Å | ||
| 276 | Q | 39.2 | Very low | 38.3 | Very low | 167 Ų | 167 | 162.9 Ų | 162.9 | 78% | 0.78 | 84% | 0.836 | S | S | * | * | trans | -73.4 | 107.3 | -178.2 | -171.6 | 160.8 | 13.7 | 0 | 0 | 108.8 | R278 | Q276-R278 PolarHBondContact O-N 2.92Å; Q276-R278 VanDerWaalsContact O-N 3.07Å | ||
| 277 | N | 34.3 | Very low | 38.6 | Very low | 154 Ų | 154 | 165.9 Ų | 165.9 | 82% | 0.824 | 84% | 0.842 | S | S | * | * | trans | -61.6 | 106.8 | 163.6 | -83.3 | -3.2 | 0 | 0 | 0 | 108.2 | Q275 | Q275-N277 PolarHBondContact O-N 2.75Š| ||
| 278 | R | 46 | Very low | 39 | Very low | 228 Ų | 228 | 169.5 Ų | 169.5 | 86% | 0.86 | 85% | 0.851 | S | S | * | * | trans | -88.3 | 123.1 | 157.3 | -85.5 | -167 | -172.8 | -164.3 | 3.2 | 108 | Q276 | Q276-R278 PolarHBondContact O-N 2.92Å; Q276-R278 VanDerWaalsContact O-N 3.07Å | ||
| 279 | F | 39.9 | Very low | 39.3 | Very low | 190 Ų | 190 | 174.6 Ų | 174.6 | 83% | 0.833 | 87% | 0.866 | S | S | * | * | trans | -47.2 | 132.4 | 156.6 | -72.8 | -99 | 0 | 0 | 0 | 110.6 | ||||
| 280 | F | 50.3 | Low | 39.6 | Very low | 287 Ų | 287 | 180 Ų | 180 | 100% | 1.259 | 88% | 0.877 | S | S | * | * | -157.3 | 0 | 119.1 | -87.8 | -71.7 | 0 | 0 | 0 | 108.1 |
Retrieved 280 of 280 residues in 365.1 ms
(Link to these results)